diff --git a/.dockerignore b/.dockerignore new file mode 100644 index 00000000..fdeef643 --- /dev/null +++ b/.dockerignore @@ -0,0 +1,16 @@ +.git +app.log +workspace +.pytest_cache +tests +*.egg-info +dist +.mypy_cache +.ruff_cache +.github +.gitignore +.ipynb_checkpoints +.DS_Store +.devcontainer +.vscode +scripts diff --git a/.env.azure-example b/.env.azure-example deleted file mode 100644 index 93dff95e..00000000 --- a/.env.azure-example +++ /dev/null @@ -1,10 +0,0 @@ -OPENAI_API_KEY=XXXX -OPENAI_API_TYPE=azure -OPENAI_API_BASE=https://your-resource-name.openai.azure.com -OPENAI_API_VERSION=2023-03-15-preview -# OPENAI_EXTRA_HEADERS={"key": "value"} -AZURE_OPENAI_DEPLOYMENTS=[{"displayName": "GPT-3.5", "name": "your-gpt-3.5-deployment"}, {"displayName": "GPT-4", "name": "your-gpt-4-deployment"}] -# OPENAI_API_LOGLEVEL=debug -API_PORT=5010 -WEB_PORT=8080 -SNAKEMQ_PORT=8765 diff --git a/.env.example b/.env.example index 880cf649..e99a3c9f 100644 --- a/.env.example +++ b/.env.example @@ -1,10 +1,23 @@ +AZURE_API_KEY=XXXX +AZURE_API_BASE=https://your-resource-name.openai.azure.com +AZURE_API_VERSION=2023-09-01-preview + OPENAI_API_KEY=sk-XXXX -OPENAI_API_TYPE=open_ai -OPENAI_API_BASE=https://api.openai.com/v1 -OPENAI_API_VERSION=2023-03-15-preview -# OPENAI_EXTRA_HEADERS={"key": "value"} -OPENAI_MODELS=[{"displayName": "GPT-3.5", "name": "gpt-3.5-turbo"}, {"displayName": "GPT-4", "name": "gpt-4"}] -# OPENAI_API_LOGLEVEL=debug + +BEDROCK_GATEWAY_API_KEY=YYYY +BEDROCK_GATEWAY_API_BASE=https://your-gateway-url.com + +AVAILABLE_MODELS=[{"displayName": "GPT-3.5 16k", "name": "azure/gpt-35-turbo-16k"}, {"displayName": "GPT-3.5 0613", "name": "azure/gpt-35-turbo-0613"}, {"displayName": "Claude v1", "name": "bedrock_gateway/anthropic.claude-instant-v1"}, {"displayName": "Claude v2", "name": "bedrock_gateway/anthropic.claude-v2"}] + API_PORT=5010 WEB_PORT=8080 -SNAKEMQ_PORT=8765 + +SESSION_ENCRYPTION_KEY="" + +DEBUG=1 +NO_INTERNET_AVAILABLE=0 +OPENAI_API_LOGLEVEL=debug +FOUNDRY_DATA_FOLDER=/Global/Foundry Training and Resources/Example Data/Aviation Ontology + +KERNEL_MANAGER_WATCHDOG_INTERVAL_S=60 +KERNEL_MANAGER_TIMEOUT_S=3600 diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 257fe880..326b82ce 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -34,7 +34,7 @@ To run the backend: gptcode ``` -To run the frontend in dev mode such that frontend code changes automatically update, set +To run the frontend in dev mode such that frontend code changes automatically update, set the following environment variable such that the frontend knows where to find the backend API server. @@ -48,7 +48,7 @@ npm run dev The HMR/auto reloading version of the frontend can now be found at http://localhost:5173 (default Vite port) -Note, the frontend served at `http://localhost:8080` is stale comes from the static bundled files that can +Note, the frontend served at `http://localhost:8080` is stale comes from the static bundled files that can be generated by running `make compile_frontend`. With this setup, code changes to the Flask backend still require restarting `gptcode` (backend). @@ -78,7 +78,7 @@ We welcome ideas for improvements and new features. To suggest an enhancement, o ### Code Style -gpt-code-ui uses [Black](https://black.readthedocs.io/en/stable/the_black_code_style/index.html) as its code style guide. Please ensure that your code follows these guidelines. +gpt-code-ui uses [Black](https://black.readthedocs.io/en/stable/the_black_code_style/index.html) as its code style guide. Please ensure that your code follows these guidelines. ### Commit Messages @@ -91,4 +91,3 @@ Write clear and concise commit messages that briefly describe the changes made i - [Black](https://black.readthedocs.io/en/stable/the_black_code_style/index.html) Thank you once again for your interest in contributing to gpt-code-ui. We look forward to collaborating with you and creating an even better project together! - diff --git a/.github/ISSUE_TEMPLATE/bug-report.yaml b/.github/ISSUE_TEMPLATE/bug-report.yaml index 2c516af9..6f17d9c1 100644 --- a/.github/ISSUE_TEMPLATE/bug-report.yaml +++ b/.github/ISSUE_TEMPLATE/bug-report.yaml @@ -52,14 +52,14 @@ body: 4. Observe the error. validations: required: true - + - type: textarea id: possible-solution attributes: label: Possible solution description: | - Not obligatory, but please suggest a fix or reason for the bug, if you have an idea. - + Not obligatory, but please suggest a fix or reason for the bug, if you have an idea. + - type: checkboxes id: operating-systems @@ -81,7 +81,7 @@ body: placeholder: Typescript vX.Y / Python v3.xx validations: required: true - + - type: input id: gpt-code-ui-version attributes: @@ -105,4 +105,3 @@ body: required: true - label: 'I have provided enough information for the maintainers to reproduce and diagnose the issue.' required: true - diff --git a/.github/ISSUE_TEMPLATE/config.yml b/.github/ISSUE_TEMPLATE/config.yml index 0aaf413e..815ac5da 100644 --- a/.github/ISSUE_TEMPLATE/config.yml +++ b/.github/ISSUE_TEMPLATE/config.yml @@ -2,4 +2,4 @@ blank_issues_enabled: false contact_links: - name: Ask a question url: https://github.com/ricklamers/gpt-code-ui/discussions/categories/q-a - about: Ask questions and discuss with other community members \ No newline at end of file + about: Ask questions and discuss with other community members diff --git a/.github/ISSUE_TEMPLATE/feature-request.yaml b/.github/ISSUE_TEMPLATE/feature-request.yaml index ea20e6f5..36b807a7 100644 --- a/.github/ISSUE_TEMPLATE/feature-request.yaml +++ b/.github/ISSUE_TEMPLATE/feature-request.yaml @@ -48,7 +48,7 @@ body: label: "📝 Additional Context" description: "Add any other context or screenshots about the feature request here." placeholder: "..." - + - type: checkboxes id: acknowledgements attributes: @@ -60,4 +60,4 @@ body: - label: 'I have searched the existing issues to make sure this feature has not been requested yet.' required: true - label: 'I have provided enough information for the maintainers to understand and evaluate this request.' - required: true \ No newline at end of file + required: true diff --git a/.github/PULL_REQUEST_TEMPLATE/pull_request_template_simple.md b/.github/PULL_REQUEST_TEMPLATE/pull_request_template_simple.md index d2da9294..2f1fe20b 100644 --- a/.github/PULL_REQUEST_TEMPLATE/pull_request_template_simple.md +++ b/.github/PULL_REQUEST_TEMPLATE/pull_request_template_simple.md @@ -19,4 +19,4 @@ ## Types of changes - \ No newline at end of file + diff --git a/.github/workflows/docker-image.yml b/.github/workflows/docker-image.yml new file mode 100644 index 00000000..f0841243 --- /dev/null +++ b/.github/workflows/docker-image.yml @@ -0,0 +1,18 @@ +name: Docker Image CI + +on: + push: + branches: [ "main" ] + pull_request: + branches: [ "main" ] + +jobs: + + build: + + runs-on: ubuntu-latest + + steps: + - uses: actions/checkout@v3 + - name: Build the Docker image + run: docker build . --file Dockerfile --tag code-impact:$(date +%s) diff --git a/.gitignore b/.gitignore index a1a5b8a0..1154403d 100644 --- a/.gitignore +++ b/.gitignore @@ -4,6 +4,7 @@ # Program related process_pids/ +kernel.* kernel_connection_file.json # Python stuff @@ -19,4 +20,7 @@ __pycache__/ *.log dist/ -build/ \ No newline at end of file +build/ +.app_service_config.json +.DS_Store +.ipynb_checkpoints diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 00000000..f30a9205 --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,45 @@ +repos: + - repo: https://github.com/pre-commit/pre-commit-hooks + rev: v4.5.0 + hooks: + - id: check-merge-conflict + - id: debug-statements + - id: mixed-line-ending + - id: check-case-conflict + - id: trailing-whitespace + - id: end-of-file-fixer + - id: check-executables-have-shebangs + - id: check-shebang-scripts-are-executable + # - id: check-yaml + - repo: https://github.com/astral-sh/ruff-pre-commit + # Ruff version. + rev: v0.1.11 + hooks: + # Run the linter. + - id: ruff + args: + - --fix + - --exit-non-zero-on-fix + # Run the formatter. + - id: ruff-format + - repo: https://github.com/compilerla/conventional-pre-commit + rev: v3.1.0 + hooks: + - id: conventional-pre-commit + stages: [commit-msg] + args: [] + # TODO enable after fixing existing issues + - repo: https://github.com/pre-commit/mirrors-mypy + rev: "v1.8.0" + hooks: + - id: mypy + additional_dependencies: [types-requests==2.31.0.20240106] + args: [--implicit-optional] + - repo: local + hooks: + - id: eslint + name: eslint_frontend + entry: ./frontend/node_modules/.bin/eslint --fix + files: ^frontend/.*\.[jt]sx?$ # *.js, *.jsx, *.ts and *.tsx + types: [file] + language: system diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 00000000..aff776d4 --- /dev/null +++ b/Dockerfile @@ -0,0 +1,75 @@ +FROM node:16.16.0-alpine AS uibuild +RUN apk add --no-cache make rsync +RUN mkdir frontendbuild +WORKDIR /frontendbuild +COPY Makefile ./ +COPY frontend/ ./frontend +COPY pyproject.toml ./ +COPY gpt_code_ui/webapp/static ./gpt_code_ui/webapp/static +RUN ls -al . +RUN make compile_frontend + + +FROM python:3.10-slim as backendbuild +# runtime binary dependencies +RUN set -eux; \ + apt-get update; \ + apt-get install -y --no-install-recommends \ + libxrender1 \ + libxext6 \ + curl \ + ; \ + rm -rf /var/lib/apt/lists/* + +ENV PYTHONFAULTHANDLER=1 \ + PYTHONUNBUFFERED=1 \ + PYTHONHASHSEED=random \ + PIP_NO_CACHE_DIR=off \ + PIP_DISABLE_PIP_VERSION_CHECK=on \ + PIP_DEFAULT_TIMEOUT=100 \ + POETRY_NO_INTERACTION=1 \ + POETRY_VIRTUALENVS_CREATE=0 \ + POETRY_CACHE_DIR='/var/cache/pypoetry' \ + POETRY_HOME='/usr/local' \ + POETRY_VERSION=1.7.1 + +RUN curl -sSL https://install.python-poetry.org | python3 - + +RUN mkdir backendbuild +WORKDIR /backendbuild + +# first install only dependencies +COPY poetry.lock pyproject.toml ./ +RUN touch README.md +RUN poetry install --without dev --without devtools --no-root --no-ansi && rm -rf $POETRY_CACHE_DIR + + +# install actual project +COPY run_with_app_service_config.py ./ +COPY gpt_code_ui/ ./gpt_code_ui +RUN poetry install --without dev --without devtools --no-ansi && rm -rf $POETRY_CACHE_DIR + +# Inject frontend into backend resources to be served from there +COPY --from=uibuild /frontendbuild/frontend/dist/ ./gpt_code_ui/webapp/static + +RUN mkdir workspace +RUN chmod 0777 workspace +RUN touch app.log +RUN chmod 0777 app.log + +RUN ls -al . +RUN ls -al ./gpt_code_ui +RUN which python + +EXPOSE 8080 + +# restrict access to /proc to make it more difficult to access other proccesses, see https://superuser.com/a/704035 +RUN cat /etc/fstab +RUN ls -al /etc/fstab +RUN echo "proc /proc proc nosuid,nodev,noexec,hidepid=2 0 0" >> /etc/fstab +RUN cat /etc/fstab + +RUN adduser --no-create-home gpt_code_ui +USER gpt_code_ui + +CMD ["python", "./run_with_app_service_config.py", "./gpt_code_ui/main.py"] diff --git a/LICENSE b/LICENSE index 17e2f18f..35e7e594 100644 --- a/LICENSE +++ b/LICENSE @@ -18,4 +18,4 @@ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE -SOFTWARE. \ No newline at end of file +SOFTWARE. diff --git a/Makefile b/Makefile index 5e44ff25..90a8a538 100644 --- a/Makefile +++ b/Makefile @@ -1,18 +1,18 @@ -.PHONY: all compile_frontend bundle_pypi upload_pypi increment_version release check_env_var +.PHONY: all container_image container_run compile_frontend bundle_pypi upload_pypi increment_version release check_env_var all: check_env_var build upload_pypi build: check_env_var compile_frontend bundle_pypi increment_version: - @VERSION=$$(grep -e "^\s*version='[^']*'" setup.py | cut -d "'" -f 2) && \ + @VERSION=$$(grep -e '^\s*version\s*=\s*"[^"]*"' pyproject.toml | cut -d '"' -f 2) && \ MAJOR=$$(echo $$VERSION | cut -d. -f1) && \ MINOR=$$(echo $$VERSION | cut -d. -f2) && \ PATCH=$$(echo $$VERSION | cut -d. -f3) && \ NEW_PATCH=$$((PATCH + 1)) && \ NEW_VERSION="$$MAJOR.$$MINOR.$$NEW_PATCH" && \ - sed -i.bak "s/version='[^']*'/version='$$NEW_VERSION'/" setup.py && \ - rm setup.py.bak && \ + sed -i.bak "s/$$VERSION/$$NEW_VERSION/" pyproject.toml && \ + rm -f pyproject.toml.bak && \ echo "Updated version to $$NEW_VERSION" @@ -22,16 +22,28 @@ release: compile_frontend: cd frontend && \ npm install && \ - VITE_APP_VERSION=$$(grep -e "^\s*version='[^']*'" ../setup.py | cut -d "'" -f 2) npm run build && \ + VITE_APP_VERSION=$$(grep -e '^\s*version\s*=\s*"[^"]*"' ../pyproject.toml | cut -d '"' -f 2) npm run build && \ find ../gpt_code_ui/webapp/static -mindepth 1 ! -name '.gitignore' -delete && \ rsync -av dist/ ../gpt_code_ui/webapp/static +container_image: + podman build . --tag=gpt_code_ui + +container_run: + podman run \ + --env 'APP_SERVICE_CONFIG=$(shell cat .app_service_config.json)' \ + --env "FOUNDRY_DEV_TOOLS_FOUNDRY_URL=$(shell grep -e 'foundry_url' $$HOME/.foundry-dev-tools/config | cut -d '=' -f 2 | awk '{$$1=$$1;print}')" \ + --env "FOUNDRY_DEV_TOOLS_JWT=$(shell grep -e 'jwt' $$HOME/.foundry-dev-tools/config | cut -d '=' -f 2 | awk '{$$1=$$1;print}')" \ + -p=8080:8080/tcp \ + --name="GPT-Code-UI" \ + localhost/gpt_code_ui:latest + bundle_pypi: rm -rf dist build && \ - python3 setup.py sdist bdist_wheel + poetry build -upload_pypi: - twine upload dist/* +upload_pypi: bundle_pypi + poetry publish check_env_var: ifeq ($(VITE_WEB_ADDRESS),) diff --git a/README.md b/README.md index b69b7182..ba14dfa3 100644 --- a/README.md +++ b/README.md @@ -4,63 +4,128 @@ An open source implementation of OpenAI's ChatGPT [Code interpreter](https://ope Simply ask the OpenAI model to do something and it will generate & execute the code for you. +This project is an extended and further developed fork of of [Rick Lamer's GPT Code UI](https://github.com/ricklamers/gpt-code-ui). Read the [blog post](https://ricklamers.io/posts/gpt-code) to find out more. -## Community -Judah Cooper offered to start & curate a Discord community. Join [here](https://discord.gg/ZmTQwpkYu6). +## Demo Video +![Demo Video](https://github.com/dasmy/gpt-code-ui/assets/5322274/29f2ad23-147f-4c8b-aaa2-d4bf4721d294) -## Installation - -Open a terminal and run: - -``` -pip install gpt-code-ui -gptcode -``` - -In order to make basic dependencies available it's recommended to run the following `pip` install -in the Python environment that is used in the shell where you run `gptcode`: - -```sh -pip install "numpy>=1.24,<1.25" "dateparser>=1.1,<1.2" "pandas>=1.5,<1.6" "geopandas>=0.13,<0.14" "tabulate>=0.9.0<1.0" "PyPDF2>=3.0,<3.1" "pdfminer>=20191125,<20191200" "pdfplumber>=0.9,<0.10" "matplotlib>=3.7,<3.8" -``` - -## User interface -GPT-Code logo - ## Features - File upload - File download +- Dataset Download from Palantir Foundry using [Foundry Dev Tools](https://github.com/emdgroup/foundry-dev-tools) - Context awareness (it can refer to your previous messages) - Generate code - Run code (Python kernel) -- Model switching (GPT-3.5 and GPT-4) +- Make proprietary code available to the model +- Model switching (GPT-3.5 and GPT-4, Bedrock, etc.) + +## Using proprietary code +The model is trained on public code from GitHub. Hence, out of the box, it can only generate code that is publicly available. However, you can make your proprietary code available to the model by implementing individual functions that wrap your proprietary code. Type annotations and doc strings will help the model to understand what your code does. + +### Adding a new function +Right now, proprietary functions are hard-coded to `gpt_code_ui.function_library.AVAILABLE_MODELS`. To add a new function, simply add a new entry to this dictionary. The key is the name of the function as it will be used in the prompt. The value is the function itself. The function must be a callable and can take any input and produce any output. Have a look at `gpt_code_ui.function_library.examples` for examples. + +It is important that you provide type annotations and a doc string to your function to help the LLM understand what your function does and how it is used. + +Considerations: +- Wrap complex code in a single function. +- Try to use simple types (e.g. `str`, `int`, `float`, `bool`, `list`, `dict`) as input and output. In the future, you can also pass complex types (e.g. `pandas.DataFrame`) but this is not yet supported. +- If you use `list` or `dict` as input, make sure to provide type annotations for the elements, e.g. `list[str]` or `dict[str, int]`. ## Misc. -### Using .env for OpenAI key -You can put a .env in the working directory to load the `OPENAI_API_KEY` environment variable. +### Running the Docker Container as fully packaged Service +See the [Dockerfile](Dockerfile) for details. Most notably, we do not invoke the tool directly but via [run_with_app_service_config.py](rub_with_app_service_config.py), which extracts environment variable specifications from a json-formatted `APP_SERVICE_CONFIG` environment variable. +In order to run properly, your `APP_SERVICE_CONFIG` should read similar to +``` +{ + "AZURE_API_KEY": "", + "AZURE_API_BASE": "", + "AZURE_API_VERSION": "2023-09-01-preview", -### Configurables -Set the `API_PORT`, `WEB_PORT`, `SNAKEMQ_PORT` variables to override the defaults. + "OPENAI_API_KEY": "sk-INVALID", + + "BEDROCK_GATEWAY_API_KEY": "", + "BEDROCK_GATEWAY_API_BASE": "", + + "AVAILABLE_MODELS": [ + {"displayName": "GPT-3.5 16k", "name": "azure/gpt-35-turbo-16k"}, + {"displayName": "GPT-3.5 0613", "name": "azure/gpt-35-turbo-0613"}, + {"displayName": "Claude v1", "name": "bedrock_gateway/anthropic.claude-instant-v1"}, + {"displayName": "Claude v2", "name": "bedrock_gateway/anthropic.claude-v2"} + ], + + "API_PORT": 5010, + "WEB_PORT": 8080, + + "NO_INTERNET_AVAILABLE": 1, -Set `OPENAI_BASE_URL` to change the OpenAI API endpoint that's being used (note this environment variable includes the protocol `https://...`). + "SESSION_ENCRYPTION_KEY": "67ed8ea0-05f0-4086-9a54-6b2bb6dbcf29", -You can use the `.env.example` in the repository (make sure you `git clone` the repo to get the file first). + "DEBUG": 1, + "OPENAI_API_LOGLEVEL": "debug", -For Azure OpenAI Services, there are also other configurable variables like deployment name. See `.env.azure-example` for more information. -Note that model selection on the UI is currently not supported for Azure OpenAI Services. + "FOUNDRY_DATA_FOLDER": "/Global/Foundry Training and Resources/Example Data/Aviation Ontology" +} ``` -cp .env.example .env -vim .env -gptcode + +### Running locally +For local execution, your `.env` could read similar to +``` +AZURE_API_KEY=XXXX +AZURE_API_BASE=https://your-resource-name.openai.azure.com +AZURE_API_VERSION=2023-09-01-preview + +OPENAI_API_KEY=sk-XXXX + +BEDROCK_GATEWAY_API_KEY=YYYY +BEDROCK_GATEWAY_API_BASE=https://your-gateway-url.com + +AVAILABLE_MODELS=[{"displayName": "GPT-3.5 16k", "name": "azure/gpt-35-turbo-16k"}, {"displayName": "GPT-3.5 0613", "name": "azure/gpt-35-turbo-0613"}, {"displayName": "Claude v1", "name": "bedrock_gateway/anthropic.claude-instant-v1"}, {"displayName": "Claude v2", "name": "bedrock_gateway/anthropic.claude-v2"}] + +API_PORT=5010 +WEB_PORT=8080 + +SESSION_ENCRYPTION_KEY="" + +DEBUG=1 +NO_INTERNET_AVAILABLE=0 +OPENAI_API_LOGLEVEL=debug +FOUNDRY_DATA_FOLDER=/Global/Foundry Training and Resources/Example Data/Aviation Ontology +``` +Then call ``` +# build the frontend and inject it into the main application, you will need Node.js and Vite to be installed for this +make compile_frontend -### Docker -[localagi](https://github.com/localagi) took the effort of bundling the Python package in a Docker container. Check it out here: [gpt-code-ui-docker](https://github.com/localagi/gpt-code-ui-docker). +# the following only required on recent MacOS, see https://stackoverflow.com/a/52230415/10984529 +export OBJC_DISABLE_INITIALIZE_FORK_SAFETY=YES + +# finally, run all required services +python gpt_code_ui/main.py +``` +This should open a browser window, navigating you to [http://localhost:8080](http://localhost:8080), where the application is running. + +### Running the AppService Container Locally with Podman +Create a file `.app_service_config.json` that contains the content of the `APP_SERVICE_CONFIG` variable. +Then simply invoke the following commands: +``` +make container_image +make container_run +``` +Afterwards, you should be able to access the frontend via [http://localhost:8080](http://localhost:8080). +Note, that this does not include proper foundry config at the moment. Should be fixed by someone somewhen. + +### Prompt playground +Run `streamlit run gpt_code_ui/st_playground.py` to start the prompt playground app. + +### Configurables +Set the `API_PORT`, `WEB_PORT` variables to override the defaults. +When `NO_INTERNET_AVAILABLE` is non-trueish or absent, the application will create dedicated virtual environments for every session and also makes active use of `!pip install ...` commands for missing packages. ## Contributing -Please do and have a look at the [contributions guide](.github/CONTRIBUTING.md)! This should be a community initiative. I'll try my best to be responsive. +Please contribute. -Thank you for your interest in this project! \ No newline at end of file +Thank you for your interest in this project! diff --git a/UserInterface.png b/UserInterface.png new file mode 100644 index 00000000..5e55d337 Binary files /dev/null and b/UserInterface.png differ diff --git a/frontend/.eslintrc.cjs b/frontend/.eslintrc.cjs index 4020bcbf..2b8ac56c 100644 --- a/frontend/.eslintrc.cjs +++ b/frontend/.eslintrc.cjs @@ -7,8 +7,9 @@ module.exports = { ], parser: '@typescript-eslint/parser', parserOptions: { ecmaVersion: 'latest', sourceType: 'module' }, - plugins: ['react-refresh'], + plugins: ['react-refresh', '@typescript-eslint' ], rules: { 'react-refresh/only-export-components': 'warn', }, + ignorePatterns: ["dist", "node_modules", "public/assets"], } diff --git a/frontend/index.html b/frontend/index.html index 54e5791f..aa31b0b9 100644 --- a/frontend/index.html +++ b/frontend/index.html @@ -4,7 +4,7 @@ - GPT-Code UI + GPT Code UI
diff --git a/frontend/package-lock.json b/frontend/package-lock.json index d12fbf76..d01251fe 100644 --- a/frontend/package-lock.json +++ b/frontend/package-lock.json @@ -12,28 +12,44 @@ "@emotion/styled": "^11.11.0", "@mui/icons-material": "^5.11.16", "@mui/material": "^5.13.1", + "@types/uuid": "^9.0.8", + "re-resizable": "^6.9.11", "react": "^18.2.0", "react-dom": "^18.2.0", "react-markdown": "^8.0.7", + "react-player": "^2.15.1", "react-syntax-highlighter": "^15.5.0", "react-textarea-autosize": "^8.4.1", + "react-to-print": "^2.15.1", "remark-gfm": "^3.0.1", - "usehooks-ts": "^2.9.1" + "use-local-storage": "^3.0.0", + "uuid": "^9.0.1" }, "devDependencies": { + "@types/node": "^20.11.24", "@types/react": "^18.0.28", "@types/react-dom": "^18.0.11", "@types/react-syntax-highlighter": "^15.5.6", - "@typescript-eslint/eslint-plugin": "^5.57.1", - "@typescript-eslint/parser": "^5.57.1", + "@typescript-eslint/eslint-plugin": "^7.1.1", + "@typescript-eslint/parser": "^7.1.1", 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O=this.getSideBondV(e,b,y),D=x.clone();D.sub(w),2==e.bondOrder[y]?(O.multiplyScalar(.1),(l=w.clone()).add(O),(h=w.clone()).sub(O),(u=l.clone()).add(D),(f=h.clone()).add(D),z==L?(g.vertices+=4,this.addLine(v,_,I,l,u,z),this.addLine(v,_,I+6,h,f,z)):(g.vertices+=8,D.multiplyScalar(.5),(T=l.clone()).add(D),(k=h.clone()).add(D),this.addLine(v,_,I,l,T,z),this.addLine(v,_,I+6,T,u,L),this.addLine(v,_,I+12,h,k,z),this.addLine(v,_,I+18,k,f,L))):3==e.bondOrder[y]&&(O.multiplyScalar(.1),(l=w.clone()).add(O),(h=w.clone()).sub(O),(u=l.clone()).add(D),(f=h.clone()).add(D),z==L?(g.vertices+=6,this.addLine(v,_,I,w,x,z),this.addLine(v,_,I+6,l,u,z),this.addLine(v,_,I+12,h,f,z)):(g.vertices+=12,D.multiplyScalar(.5),(T=l.clone()).add(D),(k=h.clone()).add(D),this.addLine(v,_,I,w,A,z),this.addLine(v,_,I+6,A,x,L),this.addLine(v,_,I+12,l,T,z),this.addLine(v,_,I+18,T,u,L),this.addLine(v,_,I+24,h,k,z),this.addLine(v,_,I+30,k,f,L)))}else z==L?(g.vertices+=2,this.addLine(v,_,I,w,x,z)):(g.vertices+=4,this.addLine(v,_,I,w,A,z),this.addLine(v,_,I+6,A,x,L))}}}}}drawAtomSphere(e,t){if(e.style.sphere){var r=e.style.sphere;if(!r.hidden){var s=(0,c.getColorFromStyle)(e,r),o=this.getRadiusFromStyle(e,r);if((!0===e.clickable||e.hoverable)&&void 0!==e.intersectionShape){var h=new n.Vector3(e.x,e.y,e.z);e.intersectionShape.sphere.push(new a.Sphere(h,o))}l.GLDraw.drawSphere(t,e,o,s)}}}drawAtomClickSphere(e){if(e.style.clicksphere){var t=e.style.clicksphere;if(!t.hidden){var r=this.getRadiusFromStyle(e,t);if((!0===e.clickable||e.hoverable)&&void 0!==e.intersectionShape){var s=new n.Vector3(e.x,e.y,e.z);e.intersectionShape.sphere.push(new a.Sphere(s,r))}}}}drawAtomInstanced(e,t){if(e.style.sphere){var r=e.style.sphere;if(!r.hidden){var s=this.getRadiusFromStyle(e,r),o=(0,c.getColorFromStyle)(e,r),l=t.updateGeoGroup(1),h=l.vertices,u=3*h,f=l.vertexArray,p=l.colorArray,g=l.radiusArray;if(f[u]=e.x,f[u+1]=e.y,f[u+2]=e.z,p[u]=o.r,p[u+1]=o.g,p[u+2]=o.b,g[h]=s,(!0===e.clickable||e.hoverable)&&void 0!==e.intersectionShape){var v=new n.Vector3(e.x,e.y,e.z);e.intersectionShape.sphere.push(new a.Sphere(v,s))}l.vertices+=1}}}drawSphereImposter(e,t,r,s){var a,n=e.updateGeoGroup(4),o=n.vertices,l=3*o,h=n.vertexArray,c=n.colorArray;for(a=0;a<4;a++)h[l+3*a]=t.x,h[l+3*a+1]=t.y,h[l+3*a+2]=t.z;var u=n.normalArray;for(a=0;a<4;a++)c[l+3*a]=s.r,c[l+3*a+1]=s.g,c[l+3*a+2]=s.b;u[l+0]=-r,u[l+1]=r,u[l+2]=0,u[l+3]=-r,u[l+4]=-r,u[l+5]=0,u[l+6]=r,u[l+7]=-r,u[l+8]=0,u[l+9]=r,u[l+10]=r,u[l+11]=0,n.vertices+=4;var f=n.faceArray,p=n.faceidx;f[p+0]=o,f[p+1]=o+1,f[p+2]=o+2,f[p+3]=o+2,f[p+4]=o+3,f[p+5]=o,n.faceidx+=6}drawAtomImposter(e,t){if(e.style.sphere){var r=e.style.sphere;if(!r.hidden){var s=this.getRadiusFromStyle(e,r),o=(0,c.getColorFromStyle)(e,r);if((!0===e.clickable||e.hoverable)&&void 0!==e.intersectionShape){var l=new n.Vector3(e.x,e.y,e.z);e.intersectionShape.sphere.push(new a.Sphere(l,s))}this.drawSphereImposter(t,e,s,o)}}}static drawStickImposter(e,t,r,s,a){for(var n,o=e.updateGeoGroup(4),l=o.vertices,h=3*l,c=o.vertexArray,u=o.colorArray,f=o.radiusArray,p=o.normalArray,g=a.r,v=a.g,_=a.b,y=h,b=0;b<4;b++)c[y]=t.x,p[y]=r.x,u[y]=g,c[++y]=t.y,p[y]=r.y,u[y]=v,c[++y]=t.z,p[y]=r.z,u[y]=b<2?_:(n=void 0,0==(n=-_)&&(n=-1e-4),n),y++;o.vertices+=4,f[l]=-s,f[l+1]=s,f[l+2]=-s,f[l+3]=s;var w=o.faceArray,x=o.faceidx;w[x+0]=l,w[x+1]=l+1,w[x+2]=l+2,w[x+3]=l+2,w[x+4]=l+3,w[x+5]=l,o.faceidx+=6}drawBondSticks(e,t,r){if(e.style.stick){var s=e.style.stick;if(!s.hidden){var h,u,f,p,g,v,_,y,b,w,x,A,C,S,M=s.radius||this.defaultStickRadius,z=M,L=s.singleBonds||!1,E=0,T=0,k=(0,c.getColorFromStyle)(e,s);!e.capDrawn&&e.bonds.length<4&&(E=2);var I=l.GLDraw.drawCylinder;for(r.imposter&&(I=GLModel.drawStickImposter),f=0;f3){if(e.bondOrder[f]<1&&(z*=e.bondOrder[f]),!O.capDrawn&&O.bonds.length<4&&(T=2),k!=F?(I(r,R,A=(new n.Vector3).addVectors(R,P).multiplyScalar(.5),z,k,E,0),I(r,A,P,z,F,0,T)):I(r,R,P,z,k,E,T),h=e.clickable||e.hoverable,u=O.clickable||O.hoverable,h||u){if(A||(A=(new n.Vector3).addVectors(R,P).multiplyScalar(.5)),h){var G=new a.Cylinder(R,A,z),B=new a.Sphere(R,z);e.intersectionShape.cylinder.push(G),e.intersectionShape.sphere.push(B)}if(u){var N=new a.Cylinder(P,A,z),U=new a.Sphere(P,z);O.intersectionShape.cylinder.push(N),O.intersectionShape.sphere.push(U)}}}else if(e.bondOrder[f]>1){var V=0,j=0;z!=M&&(V=2,j=2);var H,W,q,Y,Z,X=P.clone(),K=null;X.sub(R),K=this.getSideBondV(e,O,f),2==e.bondOrder[f]?(H=z/2.5,K.multiplyScalar(1.5*H),(W=R.clone()).add(K),(q=R.clone()).sub(K),(Y=W.clone()).add(X),(Z=q.clone()).add(X),k!=F?(A=(new n.Vector3).addVectors(W,Y).multiplyScalar(.5),C=(new n.Vector3).addVectors(q,Z).multiplyScalar(.5),I(r,W,A,H,k,V,0),I(r,A,Y,H,F,0,j),I(r,q,C,H,k,V,0),I(r,C,Z,H,F,0,j)):(I(r,W,Y,H,k,V,j),I(r,q,Z,H,k,V,j)),h=e.clickable||e.hoverable,u=O.clickable||O.hoverable,(h||u)&&(A||(A=(new n.Vector3).addVectors(W,Y).multiplyScalar(.5)),C||(C=(new n.Vector3).addVectors(q,Z).multiplyScalar(.5)),h&&(v=new a.Cylinder(W,A,H),_=new a.Cylinder(q,C,H),e.intersectionShape.cylinder.push(v),e.intersectionShape.cylinder.push(_)),u&&(b=new a.Cylinder(Y,A,H),w=new a.Cylinder(Z,C,H),O.intersectionShape.cylinder.push(b),O.intersectionShape.cylinder.push(w)))):3==e.bondOrder[f]&&(H=z/4,K.cross(X),K.normalize(),K.multiplyScalar(3*H),(W=R.clone()).add(K),(q=R.clone()).sub(K),(Y=W.clone()).add(X),(Z=q.clone()).add(X),k!=F?(A=(new n.Vector3).addVectors(W,Y).multiplyScalar(.5),C=(new n.Vector3).addVectors(q,Z).multiplyScalar(.5),S=(new n.Vector3).addVectors(R,P).multiplyScalar(.5),I(r,W,A,H,k,V,0),I(r,A,Y,H,F,0,j),I(r,R,S,H,k,E,0),I(r,S,P,H,F,0,T),I(r,q,C,H,k,V,0),I(r,C,Z,H,F,0,j)):(I(r,W,Y,H,k,V,j),I(r,R,P,H,k,E,T),I(r,q,Z,H,k,V,j)),h=e.clickable||e.hoverable,u=O.clickable||O.hoverable,(h||u)&&(A||(A=(new n.Vector3).addVectors(W,Y).multiplyScalar(.5)),C||(C=(new n.Vector3).addVectors(q,Z).multiplyScalar(.5)),S||(S=(new n.Vector3).addVectors(R,P).multiplyScalar(.5)),h&&(v=new a.Cylinder(W.clone(),A.clone(),H),_=new a.Cylinder(q.clone(),C.clone(),H),y=new a.Cylinder(R.clone(),S.clone(),H),e.intersectionShape.cylinder.push(v),e.intersectionShape.cylinder.push(_),e.intersectionShape.cylinder.push(y)),u&&(b=new a.Cylinder(Y.clone(),A.clone(),H),w=new a.Cylinder(Z.clone(),C.clone(),H),x=new a.Cylinder(P.clone(),S.clone(),H),O.intersectionShape.cylinder.push(b),O.intersectionShape.cylinder.push(w),O.intersectionShape.cylinder.push(x))))}}}var $=!1,Q=0,J=!1;for(f=0;f0&&($=!0):0==Q&&(e.bonds.length>0||s.showNonBonded)&&($=!0),$&&(z=M,r.imposter?this.drawSphereImposter(r.sphereGeometry,e,z,k):l.GLDraw.drawSphere(r,e,z,k))}}}createMolObj(e,t){t=t||{};var r,a,n,c,u=new s.Object3D,f=[],p={},g={},v=this.drawAtomSphere,_=null,y=null;t.supportsImposters?(v=this.drawAtomImposter,(_=new s.Geometry(!0)).imposter=!0,(y=new s.Geometry(!0,!0)).imposter=!0,y.sphereGeometry=new s.Geometry(!0),y.sphereGeometry.imposter=!0,y.drawnCaps={}):t.supportsAIA?(v=this.drawAtomInstanced,(_=new s.Geometry(!1,!0,!0)).instanced=!0,y=new s.Geometry(!0)):(_=new s.Geometry(!0),y=new s.Geometry(!0));var b,w={},x=[Number.POSITIVE_INFINITY,Number.NEGATIVE_INFINITY];for(r=0,n=e.length;rx[1]&&(x[1]=A.resi)),f.push(A))}}if(f.length>0&&(0,h.drawCartoon)(u,f,x,this.defaultCartoonQuality),_&&_.vertices>0){_.initTypedArrays();var C=null,S=null;_.imposter?C=new s.SphereImposterMaterial({ambient:0,vertexColors:!0,reflectivity:0}):_.instanced?(S=new s.Geometry(!0),l.GLDraw.drawSphere(S,{x:0,y:0,z:0},1,new o.Color(.5,.5,.5)),S.initTypedArrays(),C=new s.InstancedMaterial({sphereMaterial:new s.MeshLambertMaterial({ambient:0,vertexColors:!0,reflectivity:0}),sphere:S})):C=new s.MeshLambertMaterial({ambient:0,vertexColors:!0,reflectivity:0}),w.sphere<1&&w.sphere>=0&&(C.transparent=!0,C.opacity=w.sphere),S=new s.Mesh(_,C),u.add(S)}if(y.vertices>0){var M=null,z=null,L=y.sphereGeometry;L&&void 0!==L.vertices&&0!=L.vertices||(L=null),y.initTypedArrays(),L&&L.initTypedArrays();var E={ambient:0,vertexColors:!0,reflectivity:0};y.imposter?(M=new s.StickImposterMaterial(E),z=new s.SphereImposterMaterial(E)):(M=new s.MeshLambertMaterial(E),z=new s.MeshLambertMaterial(E),M.wireframe&&(y.setUpWireframe(),L&&L.setUpWireframe())),w.stick<1&&w.stick>=0&&(M.transparent=!0,M.opacity=w.stick,z.transparent=!0,z.opacity=w.stick);var T=new s.Mesh(y,M);if(u.add(T),L){var k=new s.Mesh(L,z);u.add(k)}}for(r in p)if(p.hasOwnProperty(r)){b=r;var I=new s.LineBasicMaterial({linewidth:b,vertexColors:!0});w.line<1&&w.line>=0&&(I.transparent=!0,I.opacity=w.line),p[r].initTypedArrays();var O=new s.Line(p[r],I,s.LineStyle.LinePieces);u.add(O)}for(r in g)if(g.hasOwnProperty(r)){b=r;var D=new s.LineBasicMaterial({linewidth:b,vertexColors:!0});w.cross<1&&w.cross>=0&&(D.transparent=!0,D.opacity=w.cross),g[r].initTypedArrays();var F=new s.Line(g[r],D,s.LineStyle.LinePieces);u.add(F)}if(this.dontDuplicateAtoms&&this.modelData.symmetries&&this.modelData.symmetries.length>0){var R,P=new s.Object3D;for(R=0;Rr?t-s:t}adjustCoordinatesToBox(){if(this.box&&this.atomdfs)for(var e=this.box[0],t=this.box[1],r=this.box[2],s=.9*e,a=.9*t,n=.9*r,o=0;o=r)&&(e=r-1),null!=s.frames.url){var o=s.frames.url;(0,c.getbin)(o+"/traj/frame/"+e+"/"+s.frames.path,void 0,"POST",void 0).then((function(e){for(var t=new Float32Array(e,44),r=0,n=0;n=s&&e<=a)return!0}}return!1}static deepCopyAndCache(e,t){if("object"!=typeof e||null==e)return e;if(e.__cache_created)return e;const r={};for(const s in e){const a=e[s];if(Array.isArray(a)){r[s]=[];for(let e=0;e=s[0][0]&&o<=s[1][0]&&l>=s[0][1]&&l<=s[1][1]&&h>=s[0][2]&&h<=s[1][2]&&(o>=r[0][0]&&o<=r[1][0]&&l>=r[0][1]&&l<=r[1][1]&&h>=r[0][2]&&h<=r[1][2]||n.push(this.atoms[e]))}return n}static getFloat(e){return"number"==typeof e?e:parseFloat(e)}selectedAtoms(e,t){var r=[];e=GLModel.deepCopyAndCache(e||{},this),t||(t=this.atoms);for(var s=t.length,a=0;a0&&r.push(s[e])}}if(e.hasOwnProperty("within")&&e.within.hasOwnProperty("sel")&&e.within.hasOwnProperty("distance")){var l=this.selectedAtoms(e.within.sel,this.atoms),h={};const t=GLModel.getFloat(e.within.distance),s=t*t;for(let e=0;e0&&(h[t]=1)}var c=[];if(e.within.invert)for(let e=0;e0;)if(t=p.pop(),g=t.chain,v=t.resi,void 0===f[t.index]){f[t.index]=!0;for(var _=0;_0&&(this.molObj=null)}else console.log("Callback is not a function")}setHoverable(e,t,r,s){if(t=!!t,r=(0,c.makeFunction)(r),s=(0,c.makeFunction)(s),null!==r)if(null!==s){var a=this.selectedAtoms(e,this.atoms),n=a.length;for(let e=0;e0&&(this.molObj=null)}else console.log("Unhover_callback is not a function");else console.log("Hover_callback is not a function")}enableContextMenu(e,t){var r;t=!!t;var s=this.selectedAtoms(e,this.atoms),a=s.length;for(r=0;r0&&(this.molObj=null)}setColorByElement(e,t){if(null===this.molObj||!GLModel.sameObj(t,this.lastColors)){this.lastColors=t;var r=this.selectedAtoms(e,r);r.length>0&&(this.molObj=null);for(var s=0;s0&&(this.molObj=null),"string"==typeof r&&void 0!==u.Gradient.builtinGradients[r]&&(r=new u.Gradient.builtinGradients[r]),s||(s=r.range()),s||(s=(0,c.getPropertyRange)(o,t)),a=0;a0&&(this.molObj=null);for(let e=0;e=a)continue;let o={b:r,e:a},l=n.bondOrder[e];1!=l&&(o.o=l),t.b.push(o)}}return t}globj(e,t){(null===this.molObj||t.regen)&&(this.molObj=this.createMolObj(this.atoms,t),this.renderedMolObj&&(e.remove(this.renderedMolObj),this.renderedMolObj=null),this.renderedMolObj=this.molObj.clone(),this.hidden&&(this.renderedMolObj.setVisible(!1),this.molObj.setVisible(!1)),e.add(this.renderedMolObj))}exportVRML(){return this.createMolObj(this.atoms,{supportsImposters:!1,supportsAIA:!1}).vrml()}removegl(e){this.renderedMolObj&&(void 0!==this.renderedMolObj.geometry&&this.renderedMolObj.geometry.dispose(),void 0!==this.renderedMolObj.material&&this.renderedMolObj.material.dispose(),e.remove(this.renderedMolObj),this.renderedMolObj=null),this.molObj=null}hide(){this.hidden=!0,this.renderedMolObj&&this.renderedMolObj.setVisible(!1),this.molObj&&this.molObj.setVisible(!1)}show(){this.hidden=!1,this.renderedMolObj&&this.renderedMolObj.setVisible(!0),this.molObj&&this.molObj.setVisible(!0)}addPropertyLabels(e,t,r,s){for(var a=this.selectedAtoms(t,a),n=(0,c.deepCopy)(s),o=0;oMOLECULE/gm)?"mol2":e.match(/^data_/gm)&&e.match(/^loop_/gm)?"cif":e.match(/^HETATM/gm)||e.match(/^ATOM/gm)?"pdb":e.match(/ITEM: TIMESTEP/gm)?"lammpstrj":e.match(/^.*\n.*\n.\s*(\d+)\s+(\d+)/gm)?"sdf":e.match(/^%VERSION\s+VERSION_STAMP/gm)?"prmtop":"xyz",console.log("Best guess: "+t))),(0,f.Parsers[t])(e,r)}}GLModel.defaultAtomStyle={line:{}},GLModel.defaultlineWidth=1,GLModel.vdwRadii={H:1.2,He:1.4,Li:1.82,Be:1.53,B:1.92,C:1.7,N:1.55,O:1.52,F:1.47,Ne:1.54,Na:2.27,Mg:1.73,Al:1.84,Si:2.1,P:1.8,S:1.8,Cl:1.75,Ar:1.88,K:2.75,Ca:2.31,Ni:1.63,Cu:1.4,Zn:1.39,Ga:1.87,Ge:2.11,As:1.85,Se:1.9,Br:1.85,Kr:2.02,Rb:3.03,Sr:2.49,Pd:1.63,Ag:1.72,Cd:1.58,In:1.93,Sn:2.17,Sb:2.06,Te:2.06,I:1.98,Xe:2.16,Cs:3.43,Ba:2.68,Pt:1.75,Au:1.66,Hg:1.55,Tl:1.96,Pb:2.02,Bi:2.07,Po:1.97,At:2.02,Rn:2.2,Fr:3.48,Ra:2.83,U:1.86},GLModel.ignoredKeys=new Set(["props","invert","model","frame","byres","expand","within","and","or","not"])},8783:(e,t,r)=>{"use strict";r.r(t),r.d(t,{GLShape:()=>GLShape,splitMesh:()=>p});var s=r(7693),a=r(3351),n=r(9652),o=r(2550),l=r(9192),h=r(7323),c=r(4406),u=r(6163),f=r(9005);class GLShape{static finalizeGeo(e){var t=e.updateGeoGroup(0);t.vertices>0&&t.truncateArrayBuffers(!0,!0)}static updateColor(e,t){var r,s,a;t=t||o.CC.color(t),e.colorsNeedUpdate=!0,t.constructor!==Array&&(r=t.r,s=t.g,a=t.b);for(let n in e.geometryGroups){let o=e.geometryGroups[n],l=o.colorArray;for(let e=0,n=o.vertices;e0?u/e:(e+u)/e}p.multiplyScalar(c);var g=new n.Vector3(s.x,s.y,s.z).add(p),v=p.clone().negate();let _=new n.Vector3(s.x,s.y,s.z);e.intersectionShape.cylinder.push(new a.Cylinder(_,g.clone(),l)),e.intersectionShape.sphere.push(new a.Sphere(_,l));var y=[];y[0]=p.clone(),Math.abs(y[0].x)>1e-4?y[0].y+=1:y[0].x+=1,y[0].cross(p),y[0].normalize(),y[4]=y[0].clone(),y[4].crossVectors(y[0],p),y[4].normalize(),y[8]=y[0].clone().negate(),y[12]=y[4].clone().negate(),y[2]=y[0].clone().add(y[4]).normalize(),y[6]=y[4].clone().add(y[8]).normalize(),y[10]=y[8].clone().add(y[12]).normalize(),y[14]=y[12].clone().add(y[0]).normalize(),y[1]=y[0].clone().add(y[2]).normalize(),y[3]=y[2].clone().add(y[4]).normalize(),y[5]=y[4].clone().add(y[6]).normalize(),y[7]=y[6].clone().add(y[8]).normalize(),y[9]=y[8].clone().add(y[10]).normalize(),y[11]=y[10].clone().add(y[12]).normalize(),y[13]=y[12].clone().add(y[14]).normalize(),y[15]=y[14].clone().add(y[0]).normalize();var b,w,x,A,C,S,M,z,L,E,T,k,I,O,D,F,R,P,G,B,N,U,V=f.vertices,j=f.vertexArray,H=f.faceArray,W=f.normalArray,q=f.lineArray;for(w=0,x=y.length;w0){var K=j[b-3],$=j[b-2],Q=j[b-1],J=new n.Vector3(K,$,Q),ee=new n.Vector3(o.x,o.y,o.z),te=g.clone(),re=new n.Vector3(X.x,X.y,X.z);e.intersectionShape.triangle.push(new a.Triangle(re,ee,J)),e.intersectionShape.triangle.push(new a.Triangle(J.clone(),te,re.clone()))}}f.vertices+=48,j[b=3*f.vertices]=s.x,j[b+1]=s.y,j[b+2]=s.z,j[b+3]=g.x,j[b+4]=g.y,j[b+5]=g.z,j[b+6]=o.x,j[b+7]=o.y,j[b+8]=o.z,f.vertices+=3;var ie=f.vertices-3,se=f.vertices-2,ae=f.vertices-1,ne=3*ie,oe=3*se,le=3*ae;for(w=0,x=y.length-1;wl&&(l=u),f>h&&(h=f),p>c&&(c=p)}e.center.set((l+a)/2,(h+n)/2,(c+o)/2),e.radius=e.center.distanceTo({x:l,y:h,z:c}),e.box={min:{x:a,y:n,z:o},max:{x:l,y:h,z:c}}}static addCustomGeo(e,t,r,s,o){var l,h,c,u,f,p,g,v,_,y=t.addGeoGroup(),b=r.vertexArr,w=r.normalArr,x=r.faceArr;y.vertices=b.length,y.faceidx=x.length;var A=y.vertexArray,C=y.colorArray;for(s.constructor!==Array&&(v=s.r,_=s.g,u=s.b),p=0,g=y.vertices;pc?(f.fromCap=0,f.toCap=2):(f.fromCap=2,f.toCap=2),this.addCylinder(f)}}addLine(e){var t,r;t=e.start?new n.Vector3(e.start.x||0,e.start.y||0,e.start.z||0):new n.Vector3(0,0,0),e.end?void 0===(r=new n.Vector3(e.end.x,e.end.y||0,e.end.z||0)).x&&(r.x=3):r=new n.Vector3(3,0,0);var s=this.geo.updateGeoGroup(2),a=s.vertices,o=3*a,l=s.vertexArray;l[o]=t.x,l[o+1]=t.y,l[o+2]=t.z,l[o+3]=r.x,l[o+4]=r.y,l[o+5]=r.z,s.vertices+=2;var h=s.lineArray,c=s.lineidx;h[c]=a,h[c+1]=a+1,s.lineidx+=2;var u=new n.Vector3;this.components.push({centroid:u.addVectors(t,r).multiplyScalar(.5)}),s=this.geo.updateGeoGroup(0),GLShape.updateBoundingFromPoints(this.boundingSphere,this.components,s.vertexArray,s.vertices)}addArrow(e){if(e.start?e.start=new n.Vector3(e.start.x||0,e.start.y||0,e.start.z||0):e.start=new n.Vector3(0,0,0),e.dir instanceof n.Vector3&&"number"==typeof e.length){var t=e.dir.clone().multiplyScalar(e.length).add(e.start);e.end=t}else e.end?(e.end=new n.Vector3(e.end.x,e.end.y||0,e.end.z||0),void 0===e.end.x&&(e.end.x=3)):e.end=new n.Vector3(3,0,0);e.radius=e.radius||.1,e.radiusRatio=e.radiusRatio||1.618034,e.mid=0=0?v[s]-o:o-v[s])>0&&(_[s]|=GLShape.ISDONE)}var y=[],b=[];l.MarchingCube.march(_,y,b,{fulltable:!0,voxel:h,unitCube:e.unit,origin:e.origin,matrix:e.matrix,nX:u,nY:f,nZ:p}),!h&&c>0&&l.MarchingCube.laplacianSmooth(c,y,b);var w=[],x=[],A=[];if(t.selectedRegion&&void 0===t.coords&&(t.coords=t.selectedRegion),void 0!==t.coords){var C=t.coords[0].x,S=t.coords[0].y,M=t.coords[0].z,z=t.coords[0].x,L=t.coords[0].y,E=t.coords[0].z;for(let e=0;eC?C=t.coords[e].x:t.coords[e].xS?S=t.coords[e].y:t.coords[e].yM?M=t.coords[e].z:t.coords[e].zz&&y[e].xL&&y[e].yE&&y[e].z=64e3&&(t.push({vertexArr:[],normalArr:[],faceArr:[]}),e.colorArr&&(t.colorArr=[]),a++)}return t}GLShape.ISDONE=2,GLShape.drawCustom=function(e,t,r){var s=r,a=s.vertexArr,n=s.faceArr;0!==a.length&&0!==n.length||console.warn("Error adding custom shape component: No vertices and/or face indices supplied!");var l=r.color;void 0===l&&(l=e.color),l=o.CC.color(l);for(var h=p(s),c=0,u=h.length;c{"use strict";r.r(t),r.d(t,{GLViewer:()=>GLViewer,createStereoViewer:()=>b,createViewer:()=>_,createViewerGrid:()=>y});var s=r(7693),a=r(9652),n=r(2550),o=r(9005),l=r(1460),h=r(8223),c=r(7825),u=r(8783),f=r(7323),p=r(9192),g=r(1496),v=r(2109);class GLViewer{getRect(){let e=this.container,t=e.getBoundingClientRect();if(0==t.width&&0==t.height&&"none"===e.style.display){let r=e.style.position,s=e.style.visibility;e.style.display="block",e.style.visibility="hidden",e.style.position="absolute",t=e.getBoundingClientRect(),e.style.display="none",e.style.visibility=s,e.style.position=r}return t}getWidth(){return this.getRect().width}getHeight(){return this.getRect().height}setupRenderer(){this.renderer=new s.Renderer({antialias:this.config.antialias,preserveDrawingBuffer:!0,premultipliedAlpha:!1,id:this.config.id,row:this.config.row,col:this.config.col,rows:this.config.rows,cols:this.config.cols,canvas:this.config.canvas,containerWidth:this.WIDTH||1,containerHeight:this.HEIGHT||1}),this.renderer.domElement.style.width="100%",this.renderer.domElement.style.height="100%",this.renderer.domElement.style.padding="0",this.renderer.domElement.style.position="absolute",this.renderer.domElement.style.top="0px",this.renderer.domElement.style.left="0px",this.renderer.domElement.style.zIndex="0"}initializeScene(){this.scene=new s.Scene,this.scene.fog=new s.Fog(this.bgColor,100,200),this.modelGroup=new s.Object3D,this.rotationGroup=new s.Object3D,this.rotationGroup.useQuaternion=!0,this.rotationGroup.quaternion=new a.Quaternion(0,0,0,1),this.rotationGroup.add(this.modelGroup),this.scene.add(this.rotationGroup);var e=new s.Light(16777215);e.position=new a.Vector3(.2,.2,1).normalize(),e.intensity=1,this.scene.add(e)}initContainer(e){this.container=e,this.WIDTH=this.getWidth(),this.HEIGHT=this.getHeight(),this.ASPECT=this.renderer.getAspect(this.WIDTH,this.HEIGHT),this.renderer.setSize(this.WIDTH,this.HEIGHT),this.container.append(this.renderer.domElement),this.glDOM=this.renderer.domElement,this.nomouse||(this.glDOM.addEventListener("mousedown",this._handleMouseDown.bind(this),{passive:!1}),this.glDOM.addEventListener("touchstart",this._handleMouseDown.bind(this),{passive:!1}),this.glDOM.addEventListener("wheel",this._handleMouseScroll.bind(this),{passive:!1}),this.glDOM.addEventListener("mousemove",this._handleMouseMove.bind(this),{passive:!1}),this.glDOM.addEventListener("touchmove",this._handleMouseMove.bind(this),{passive:!1}),this.glDOM.addEventListener("contextmenu",this._handleContextMenu.bind(this),{passive:!1}))}decAnim(){this.animated--,this.animated<0&&(this.animated=0)}incAnim(){this.animated++}nextSurfID(){var e=0;for(let r in this.surfaces)if(this.surfaces.hasOwnProperty(r)){var t=parseInt(r);isNaN(t)||t>e&&(e=t)}return e+1}setSlabAndFog(){let e=this.camera.position.z-this.rotationGroup.position.z;e<1&&(e=1),this.camera.near=e+this.slabNear,this.camera.near<1&&(this.camera.near=1),this.camera.far=e+this.slabFar,this.camera.near+1>this.camera.far&&(this.camera.far=this.camera.near+1),this.camera.fov=this.fov,this.camera.right=e*Math.tan(Math.PI/180*this.fov),this.camera.left=-this.camera.right,this.camera.top=this.camera.right/this.ASPECT,this.camera.bottom=-this.camera.top,this.camera.updateProjectionMatrix(),this.scene.fog.near=this.camera.near+this.fogStart*(this.camera.far-this.camera.near),this.scene.fog.far=this.camera.far,this.config.disableFog&&(this.scene.fog.near=this.scene.fog.far)}show(e){if(this.renderer.setViewport(),this.scene&&(this.setSlabAndFog(),this.renderer.render(this.scene,this.camera),this.viewChangeCallback&&this.viewChangeCallback(this._viewer.getView()),!e&&this.linkedViewers.length>0))for(var t=this._viewer.getView(),r=0;r0){let t=this.CAMERA_Z-this.config.lowerZoomLimit;e>t&&(e=t)}if(this.config.upperZoomLimit&&this.config.upperZoomLimit>0){let t=this.CAMERA_Z-this.config.upperZoomLimit;ethis.CAMERA_Z-1&&(e=this.CAMERA_Z-1),e}static slerp(e,t,r){if(1==r)return t.clone();if(0==r)return e.clone();let s=e.x*t.x+e.y*t.y+e.z*t.z+e.w*t.w;if(s>.9995){let s=new a.Quaternion(e.x+r*(t.x-e.x),e.y+r*(t.y-e.y),e.z+r*(t.z-e.z),e.w+r*(t.w-e.w));return s.normalize(),s}s<0&&(t=t.clone().multiplyScalar(-1),s=-s),s>1?s=1:s<-1&&(s=-1);var n=Math.acos(s)*r,o=t.clone();o.sub(e.clone().multiplyScalar(s)),o.normalize();var l=Math.cos(n),h=Math.sin(n),c=new a.Quaternion(e.x*l+o.x*h,e.y*l+o.y*h,e.z*l+o.z*h,e.w*l+o.w*h);return c.normalize(),c}constructor(e,t={}){this.nomouse=!1,this.glDOM=null,this.models=[],this.surfaces={},this.shapes=[],this.labels=[],this.clickables=[],this.hoverables=[],this.contextMenuEnabledAtoms=[],this.current_hover=null,this.hoverDuration=500,this.viewer_frame=0,this.viewChangeCallback=null,this.stateChangeCallback=null,this.NEAR=1,this.FAR=800,this.CAMERA_Z=150,this.fov=20,this.linkedViewers=[],this.renderer=null,this.control_all=!1,this.scene=null,this.rotationGroup=null,this.modelGroup=null,this.fogStart=.4,this.slabNear=-50,this.slabFar=50,this.cq=new a.Quaternion(0,0,0,1),this.dq=new a.Quaternion(0,0,0,1),this.animated=0,this.animationTimers=new Set,this.isDragging=!1,this.mouseStartX=0,this.mouseStartY=0,this.touchDistanceStart=0,this.touchHold=!1,this.currentModelPos=0,this.cz=0,this.cslabNear=0,this.cslabFar=0,this.userContextMenuHandler=null,this.config=t,this.callback=this.config.callback,this.defaultcolors=this.config.defaultcolors,this.defaultcolors||(this.defaultcolors=n.elementColors.defaultColors),this.nomouse=this.config.nomouse,this.bgColor=0,this.config.backgroundColor=this.config.backgroundColor||"#ffffff",void 0!==this.config.backgroundColor&&(this.bgColor=n.CC.color(this.config.backgroundColor).getHex()),this.config.backgroundAlpha=null==this.config.backgroundAlpha?1:this.config.backgroundAlpha,this.camerax=0,void 0!==this.config.camerax&&(this.camerax=parseFloat(this.config.camerax)),this._viewer=this,this.container=e,null!=this.config.hoverDuration&&(this.hoverDuration=this.config.hoverDuration),void 0===this.config.antialias&&(this.config.antialias=!0),void 0===this.config.cartoonQuality&&(this.config.cartoonQuality=10),this.WIDTH=this.getWidth(),this.HEIGHT=this.getHeight(),this.setupRenderer(),this.row=this.config.row,this.col=this.config.col,this.cols=this.config.cols,this.rows=this.config.rows,this.viewers=this.config.viewers,this.control_all=this.config.control_all,this.ASPECT=this.renderer.getAspect(this.WIDTH,this.HEIGHT),this.camera=new s.Camera(this.fov,this.ASPECT,this.NEAR,this.FAR,this.config.orthographic),this.camera.position=new a.Vector3(this.camerax,0,this.CAMERA_Z),this.lookingAt=new a.Vector3,this.camera.lookAt(this.lookingAt),this.raycaster=new s.Raycaster(new a.Vector3(0,0,0),new a.Vector3(0,0,0)),this.projector=new s.Projector,this.initializeScene(),this.renderer.setClearColorHex(this.bgColor,this.config.backgroundAlpha),this.scene.fog.color=n.CC.color(this.bgColor),document.body.addEventListener("mouseup",this._handleMouseUp.bind(this)),document.body.addEventListener("touchend",this._handleMouseUp.bind(this)),this.initContainer(this.container),this.config.style&&this.setViewStyle(this.config),window.addEventListener("resize",this.resize.bind(this)),void 0!==window.ResizeObserver&&(this.divwatcher=new window.ResizeObserver(this.resize.bind(this)),this.divwatcher.observe(this.container));try{"function"==typeof this.callback&&this.callback(this)}catch(e){console.log("error with glviewer callback: "+e)}}targetedObjects(e,t,r){var s={x:e,y:t,z:-1};return Array.isArray(r)||(r=this.selectedAtoms(r)),0==r.length?[]:(this.raycaster.setFromCamera(s,this.camera),this.raycaster.intersectObjects(this.modelGroup,r))}modelToScreen(e){let t=!1;Array.isArray(e)||(e=[e],t=!0);let r=[],s=this.canvasOffset();return e.forEach((e=>{let t=new a.Vector3(e.x,e.y,e.z);t.applyMatrix4(this.modelGroup.matrixWorld),this.projector.projectVector(t,this.camera);let n=this.WIDTH*(t.x+1)/2+s.left,o=-this.HEIGHT*(t.y-1)/2+s.top;r.push({x:n,y:o})})),t&&(r=r[0]),r}screenOffsetToModel(e,t,r){var s=e/this.WIDTH,n=t/this.HEIGHT,o=void 0===r?this.rotationGroup.position.z:r,l=this.rotationGroup.quaternion,h=new a.Vector3(0,0,o);return this.projector.projectVector(h,this.camera),h.x+=2*s,h.y-=2*n,this.projector.unprojectVector(h,this.camera),h.z=0,h.applyQuaternion(l),h}screenToModelDistance(e,t){let r=this.canvasOffset(),s=new a.Vector3(t.x,t.y,t.z);s.applyMatrix4(this.modelGroup.matrixWorld);let n=s.clone();this.projector.projectVector(s,this.camera);let o=new a.Vector3(2*(e.x-r.left)/this.WIDTH-1,2*(e.y-r.top)/-this.HEIGHT+1,s.z);return this.projector.unprojectVector(o,this.camera),o.distanceTo(n)}setViewChangeCallback(e){"function"!=typeof e&&null!=e||(this.viewChangeCallback=e)}setStateChangeCallback(e){"function"!=typeof e&&null!=e||(this.stateChangeCallback=e)}getConfig(){return this.config}setConfig(e){this.config=e}getInternalState(){var e={models:[],surfaces:[],shapes:[],labels:[]};for(let t=0;t{t.getCanvas().toBlob((function(t){t.arrayBuffer().then(e)}),"image/png")}))),s+=1,s==e&&(t.viewChangeCallback=a,Promise.all(n).then((e=>{let s=[];for(let t=0;t0&&(this.hoverTimeout=setTimeout((function(){a.handleHoverSelection(r,s,e)}),this.hoverDuration)),e.preventDefault(),this.scene&&this.isDragging){var n=0,o=this.getX(e),l=this.getY(e);if(void 0!==o&&this.isInViewer(o,l)){var h=(o-this.mouseStartX)/this.WIDTH,c=(l-this.mouseStartY)/this.HEIGHT;if(0!=this.touchDistanceStart&&e.targetTouches&&2==e.targetTouches.length)n=2,c=2*(this.calcTouchDistance(e)-this.touchDistanceStart)/(this.WIDTH+this.HEIGHT);else e.targetTouches&&3==e.targetTouches.length&&(n=1);var u=this.renderer.getXRatio(),f=this.renderer.getYRatio();h*=u,c*=f;var p,g=Math.hypot(h,c);if(3==n||3==this.mouseButton&&e.ctrlKey)this.slabNear=this.cslabNear+100*h,this.slabFar=this.cslabFar-100*c;else if(2==n||3==this.mouseButton||e.shiftKey)(p=.85*(this.CAMERA_Z-this.rotationGroup.position.z))<80&&(p=80),this.rotationGroup.position.z=this.cz+c*p,this.rotationGroup.position.z=this.adjustZoomToLimits(this.rotationGroup.position.z);else if(1==n||2==this.mouseButton||e.ctrlKey){var v=this.screenOffsetToModel(u*(o-this.mouseStartX),f*(l-this.mouseStartY));this.modelGroup.position.addVectors(this.currentModelPos,v)}else if((0===n||1==this.mouseButton)&&0!==g){var _=Math.sin(g*Math.PI)/g;this.dq.x=Math.cos(g*Math.PI),this.dq.y=0,this.dq.z=_*h,this.dq.w=-_*c,this.rotationGroup.quaternion.set(1,0,0,0),this.rotationGroup.quaternion.multiply(this.dq),this.rotationGroup.quaternion.multiply(this.cq)}this.show()}}}_handleContextMenu(e){e.preventDefault();var t=this.getX(e),r=this.getY(e);if(t==this.mouseStartX&&r==this.mouseStartY){var s=this.mouseStartX,a=this.mouseStartY,n=(s-(h=this.canvasOffset()).left)/this.WIDTH*2-1,o=-(a-h.top)/this.HEIGHT*2+1;let e=this.targetedObjects(n,o,this.contextMenuEnabledAtoms);var l=null;e.length&&(l=e[0].clickable);var h=this.canvasOffset();s=this.mouseStartX-h.left,a=this.mouseStartY-h.top;this.userContextMenuHandler&&this.userContextMenuHandler(l,s,a,e)}}setContainer(e){let t=(0,o.getElement)(e)||this.container;return this.initContainer(t),this}setBackgroundColor(e,t){(void 0===t||t<0||t>1)&&(t=1);var r=n.CC.color(e);return this.scene.fog.color=r,this.bgColor=r.getHex(),this.renderer.setClearColorHex(r.getHex(),t),this.show(),this}setProjection(e){this.camera.ortho="orthographic"===e,this.setSlabAndFog()}setViewStyle(e){if("outline"===e.style){var t={};e.color&&(t.color=n.CC.color(e.color)),e.width&&(t.width=e.width),this.renderer.enableOutline(t)}else this.renderer.disableOutline();return this}updateSize(){this.renderer.setSize(this.WIDTH,this.HEIGHT),this.ASPECT=this.renderer.getAspect(this.WIDTH,this.HEIGHT),this.renderer.setSize(this.WIDTH,this.HEIGHT),this.camera.aspect=this.ASPECT,this.camera.updateProjectionMatrix()}setWidth(e){return this.WIDTH=e||this.WIDTH,this.updateSize(),this}setHeight(e){return this.HEIGHT=e||this.HEIGHT,this.updateSize(),this}resize(){this.WIDTH=this.getWidth(),this.HEIGHT=this.getHeight();let e=!1;if(this.renderer.isLost()&&this.WIDTH>0&&this.HEIGHT>0&&(this.container.querySelector("canvas").remove(),this.setupRenderer(),this.initContainer(this.container),e=!0),0==this.WIDTH||0==this.HEIGHT?this.animated&&this._viewer.pauseAnimate():this.animated&&this._viewer.resumeAnimate(),this.updateSize(),e){let e=this.renderer.supportedExtensions();e.regen=!0,this._viewer.render(null,e)}else this.show();return this}getModel(e){return void 0===e?0==this.models.length?null:this.models[this.models.length-1]:e instanceof h.GLModel?e:e in this.models?this.models[e]:0==this.models.length?null:this.models[this.models.length-1]}spin(e,t=1){if(clearInterval(this.spinInterval),void 0===e&&(e="y"),"boolean"==typeof e){if(!e)return;e="y"}Array.isArray(e)&&(e={x:e[0],y:e[1],z:e[2]});var r=this;this.spinInterval=setInterval((function(){!r.getCanvas().isConnected&&r.renderer.isLost()&&clearInterval(r.spinInterval),r.rotate(1*t,e)}),25)}animateMotion(e,t,r,s,a,n){var o=Math.ceil(e/20);o<1&&(o=1),this.incAnim();var l={mpos:this.modelGroup.position.clone(),rz:this.rotationGroup.position.z,rot:this.rotationGroup.quaternion.clone(),cam:this.lookingAt.clone()};if(t){let e=new Array(o);for(let t=0;t=0&&(this.modelGroup.remove(this.labels[r].sprite),(this.viewer_frame<0||this.labels[r].frame==this.viewer_frame)&&this.modelGroup.add(this.labels[r].sprite));for(r in this.surfaces)if(this.surfaces.hasOwnProperty(r)){var o=this.surfaces[r];for(a=0;a1||1==o[a].symmetries.length&&!o[a].symmetries[a].isIdentity()){var c,u=new s.Object3D;for(c=0;c0?this.animateMotion(t,r,this.modelGroup.position,this.adjustZoomToLimits(a),this.rotationGroup.quaternion,this.lookingAt):(this.rotationGroup.position.z=this.adjustZoomToLimits(a),this.show()),this}translate(e,t,r=0,s=!1){var n=e/this.WIDTH,o=t/this.HEIGHT,l=new a.Vector3(0,0,-this.CAMERA_Z);this.projector.projectVector(l,this.camera),l.x-=n,l.y-=o,this.projector.unprojectVector(l,this.camera),l.z=0;var h=this.lookingAt.clone().add(l);return r>0?this.animateMotion(r,s,this.modelGroup.position,this.rotationGroup.position.z,this.rotationGroup.quaternion,h):(this.lookingAt=h,this.camera.lookAt(this.lookingAt),this.show()),this}translateScene(e,t,r=0,s=!1){var a=this.screenOffsetToModel(e,t),n=this.modelGroup.position.clone().add(a);return r>0?this.animateMotion(r,s,this.modelGroup.position,this.rotationGroup.position.z,this.rotationGroup.quaternion,this.lookingAt):(this.modelGroup.position=n,this.show()),this}fitSlab(e){e=e||{};var t=this.getAtomsFromSel(e),r=(0,o.getExtent)(t),s=r[1][0]-r[0][0],a=r[1][1]-r[0][1],n=r[1][2]-r[0][2],l=Math.hypot(s,a,n);return l<5&&(l=5),this.slabNear=-l/1.9,this.slabFar=l/2,this}center(e={},t=0,r=!1){var s,n,l=this.getAtomsFromSel(e),h=(0,o.getExtent)(l);(0,o.isEmptyObject)(e)?(this.shapes.forEach((e=>{if(e&&e.boundingSphere&&e.boundingSphere.center){var t=e.boundingSphere.center,r=e.boundingSphere.radius;r>0?(l.push(new a.Vector3(t.x+r,t.y,t.z)),l.push(new a.Vector3(t.x-r,t.y,t.z)),l.push(new a.Vector3(t.x,t.y+r,t.z)),l.push(new a.Vector3(t.x,t.y-r,t.z)),l.push(new a.Vector3(t.x,t.y,t.z+r)),l.push(new a.Vector3(t.x,t.y,t.z-r))):l.push(t)}})),h=(0,o.getExtent)(l),s=l,n=h):(s=this.getAtomsFromSel({}),n=(0,o.getExtent)(s));var c=new a.Vector3(h[2][0],h[2][1],h[2][2]),u=n[1][0]-n[0][0],f=n[1][1]-n[0][1],p=n[1][2]-n[0][2],g=Math.hypot(u,f,p);g<5&&(g=5),this.slabNear=-g/1.9,this.slabFar=g/2,u=h[1][0]-h[0][0],f=h[1][1]-h[0][1],p=h[1][2]-h[0][2],(g=Math.hypot(u,f,p))<5&&(g=5);for(var v=25,_=0;_v&&(v=y)}g=2*Math.sqrt(v);var b=c.clone().multiplyScalar(-1);return t>0?this.animateMotion(t,r,b,this.rotationGroup.position.z,this.rotationGroup.quaternion,this.lookingAt):(this.modelGroup.position=b,this.show()),this}zoomTo(e={},t=0,r=!1){let s=this.getAtomsFromSel(e),n=(0,o.getExtent)(s),l=n;if((0,o.isEmptyObject)(e)){let e=s&&s.length;if(this.shapes.forEach((e=>{if(e&&e.boundingSphere)if(e.boundingSphere.box){let t=e.boundingSphere.box;s.push(new a.Vector3(t.min.x,t.min.y,t.min.z)),s.push(new a.Vector3(t.max.x,t.max.y,t.max.z))}else if(e.boundingSphere.center){var t=e.boundingSphere.center,r=e.boundingSphere.radius;r>0?(s.push(new a.Vector3(t.x+r,t.y,t.z)),s.push(new a.Vector3(t.x-r,t.y,t.z)),s.push(new a.Vector3(t.x,t.y+r,t.z)),s.push(new a.Vector3(t.x,t.y-r,t.z)),s.push(new a.Vector3(t.x,t.y,t.z+r)),s.push(new a.Vector3(t.x,t.y,t.z-r))):s.push(t)}})),l=(0,o.getExtent)(s),!e)for(let e=0;e<3;e++)n[2][e]=(l[0][e]+l[1][e])/2}else{let e=this.getAtomsFromSel({});l=(0,o.getExtent)(e)}var h=new a.Vector3(n[2][0],n[2][1],n[2][2]),c=l[1][0]-l[0][0],u=l[1][1]-l[0][1],f=l[1][2]-l[0][2],p=Math.hypot(c,u,f);p<5&&(p=5),this.slabNear=-p/1.9,this.slabFar=p/2,0===Object.keys(e).length&&(this.slabNear=Math.min(2*-p,-50),this.slabFar=Math.max(2*p,50));var g=this.config.minimumZoomToDistance||5;c=n[1][0]-n[0][0],u=n[1][1]-n[0][1],f=n[1][2]-n[0][2],(p=Math.hypot(c,u,f))v&&(v=y)}p=2*Math.sqrt(v);var b=h.clone().multiplyScalar(-1),w=-(.5*p/Math.tan(Math.PI/180*this.camera.fov/2)-this.CAMERA_Z);return w=this.adjustZoomToLimits(w),t>0?this.animateMotion(t,r,b,w,this.rotationGroup.quaternion,this.lookingAt):(this.modelGroup.position=b,this.rotationGroup.position.z=w,this.show()),this}setSlab(e,t){this.slabNear=e,this.slabFar=t}getSlab(){return{near:this.slabNear,far:this.slabFar}}addLabel(e,t={},r,s=!1){if(r){var a=(0,o.getExtent)(this.getAtomsFromSel(r));t.position={x:a[2][0],y:a[2][1],z:a[2][2]}}var n=new c.Label(e,t);return n.setContext(),this.modelGroup.add(n.sprite),this.labels.push(n),s||this.show(),n}addResLabels(e,t,r=!1){let s=this.labels.length;return this.applyToModels("addResLabels",e,this,t,r),this.show(),this.labels.slice(s)}addPropertyLabels(e,t,r){return this.applyToModels("addPropertyLabels",e,t,this,r),this.show(),this}removeLabel(e){for(var t=0;t0&&void 0===this.shapes[this.shapes.length-1];)this.shapes.pop();return this}removeAllShapes(){for(var e=0;en){e.start=r,e.end=s,t.addLine(e);break}f.addVectors(r,c),e.start=r,e.end=f,t.addLine(e),r=f.clone(),p+=o,f.addVectors(r,u),r=f.clone(),p+=l}return t.finalize(),t}addCustom(e){e=e||{};var t=new u.GLShape(e);return t.shapePosition=this.shapes.length,t.addCustom(e),this.shapes.push(t),t.finalize(),t}addVolumetricData(e,t,r={}){var s=new f.VolumeData(e,t);return r.hasOwnProperty("transferfn")?this.addVolumetricRender(s,r):this.addIsosurface(s,r)}addIsosurface(e,t={},r){var s=new u.GLShape(t);return s.shapePosition=this.shapes.length,s.addIsosurface(e,t,r),this.shapes.push(s),s}addVolumetricRender(e,t){t=t||{};var r=new g.GLVolumetricRender(e,t);return r.shapePosition=this.shapes.length,this.shapes.push(r),r}hasVolumetricRender(){return this.renderer.supportsVolumetric()}enableFog(e){e?this.scene.fog=new s.Fog(this.bgColor,100,200):(this.config.disableFog=!0,this.show())}setFrame(e){this.viewer_frame=e;let t=this;return new Promise((function(r){var s=t.models.map((function(r){return r.setFrame(e,t)}));Promise.all(s).then((function(){r()}))}))}getFrame(){return this.viewer_frame}getNumFrames(){var e=0;for(let t=0;te&&(e=this.models[t].getNumFrames());for(let t=0;t=e&&(e=this.shapes[t].frame+1);for(let t=0;t=e&&(e=this.labels[t].frame+1);return e}animate(e){this.incAnim();var t=100,r="forward",s=0;(e=e||{}).interval&&(t=e.interval),e.loop&&(r=e.loop),e.reps&&(s=e.reps);var a=this.getNumFrames(),n=this,l=0;e.startFrame&&(l=e.startFrame%a);var h=1;e.step&&(s/=h=e.step);var c,u,f=0,p=a*s,g=new Date,v=function(e){g=new Date,"forward"==e?n.setFrame(l).then((function(){l=(l+h)%a,c()})):"backward"==e?n.setFrame(a-1-l).then((function(){l=(l+h)%a,c()})):n.setFrame(l).then((function(){h*=(l+=h)%(a-1)==0?-1:1,c()}))};return c=function(){if(n.render(),n.getCanvas().isConnected)if(++f!=p&&n.isAnimated()){var e=t-((new Date).getTime()-g.getTime());e=e>0?e:0,n.animationTimers.delete(u),u=new o.PausableTimer(v,e,r),n.animationTimers.add(u)}else u.cancel(),n.animationTimers.delete(u),n.decAnim();else n.stopAnimate()},u=new o.PausableTimer(v,0,r),this.animationTimers.add(u),this}stopAnimate(){return this.animated=0,this.animationTimers.forEach((function(e){e.cancel()})),this.animationTimers=new Set,this}pauseAnimate(){return this.animationTimers.forEach((function(e){e.pause()})),this}resumeAnimate(){return this.animationTimers.forEach((function(e){e.resume()})),this}isAnimated(){return this.animated>0}addModel(e,t="",r){r&&!r.defaultcolors?(r.defaultcolors=this.defaultcolors,r.cartoonQuality=r.cartoonQuality||this.config.cartoonQuality):void 0===r&&(r={defaultcolors:this.defaultcolors,cartoonQuality:this.config.cartoonQuality});var s=new h.GLModel(this.models.length,r);return s.addMolData(e,t,r),this.models.push(s),s}addModels(e,t,r){(r=r||{}).multimodel=!0,r.frames=!0;for(var s=h.GLModel.parseMolData(e,t,r),a=0;a0&&void 0===this.models[this.models.length-1];)this.models.pop();return this}}removeAllModels(){for(var e=0;et[1][0]||s.yt[1][1]||s.zt[1][2]||r.push(s))}return r}static volume(e){return(e[1][0]-e[0][0])*(e[1][1]-e[0][1])*(e[1][2]-e[0][2])}carveUpExtent(e,t,r){let s=[],a={};for(let e=0,r=t.length;es&&r>a?0:s>r&&s>a?1:2;var n=o(e),h=o(e),c=(e[1][t]-e[0][t])/2+e[0][t];n[1][t]=c,h[0][t]=c;var u=l(n),f=l(h);return u.concat(f)},h=l(e);for(let e=0,a=h.length;e0)for(let e=0,t=f.length;e1||1==C.length&&!C[0].isIdentity()){A=!0;break}}var S=function(e,r,s){var a;b=h?GLViewer.shallowCopy(v.getAtomsFromSel(h)):s;var n=(0,o.getExtent)(s,!0);if(t.map&&t.map.prop){var c=t.map.prop;let e=(0,l.getGradient)(t.map.scheme||t.map.gradient||new l.Gradient.RWB),r=e.range();r||(r=(0,o.getPropertyRange)(s,c)),t.colorscheme={prop:c,gradient:e}}for(let e=0,s=r.length;e0){var x=(0,o.getExtent)(b,!0);w.sort((function(e,t){var r=function(e,t){var r=e.extent,s=r[1][0]-r[0][0],a=r[1][1]-r[0][1],n=r[1][2]-r[0][2],o=s-t[2][0];o*=o;var l=a-t[2][1];l*=l;var h=n-t[2][2];return o+l+(h*=h)};return r(e,x)-r(t,x)}))}var A=[];for(let e=0,t=r.length;e0&&(M.push({geo:new s.Geometry(!0),mat:g,done:!1,finished:!1,symmetries:this.models[x].getSymmetries()}),T.push(S(M[M.length-1],L[x],E[x])));z=Promise.all(T)}else M.push({geo:new s.Geometry(!0),mat:g,done:!1,finished:!1,symmetries:[new a.Matrix4]}),z=S(M[M.length-1],y,w);return this.surfaces[f]=M,z.surfid=f,c&&"function"==typeof c?(z.then((function(e){c(e)})),f):z}setSurfaceMaterialStyle(e,t){if((0,o.adjustVolumeStyle)(t),this.surfaces[e]){var r=this.surfaces[e];r.style=t;for(var a=0;a0?this.camera.position.x=r*Math.tan(Math.PI/180*t):this.camera.position.x=-r*Math.tan(Math.PI/180*t),this.camera.lookAt(new a.Vector3(0,0,this.rotationGroup.position.z)),this.camera.position.x}setDefaultCartoonQuality(e){this.config.cartoonQuality=e}}function _(e,t){if(e=(0,o.getElement)(e)){t=t||{};try{return new GLViewer(e,t)}catch(e){throw"error creating viewer: "+e}}}function y(e,t={},r={}){if(e=(0,o.getElement)(e)){var s=[],a=document.createElement("canvas");r.rows=t.rows,r.cols=t.cols,r.control_all=null!=t.control_all&&t.control_all,e.appendChild(a);try{for(var n=0;n{"use strict";r.r(t),r.d(t,{CustomLinear:()=>CustomLinear,Gradient:()=>Gradient,GradientType:()=>GradientType,ROYGB:()=>ROYGB,RWB:()=>RWB,Sinebow:()=>Sinebow,builtinGradients:()=>o,getGradient:()=>n,normalizeValue:()=>a});var s=r(2550);class GradientType{}function a(e,t,r){return t>=e?(rt&&(r=t),{lo:e,hi:t,val:r}):(r>e&&(r=e),r=2?(this.max=e[1],this.min=e[0]):e&&t&&!Array.isArray(e)&&(this.min=e,this.max=t)}range(){return void 0!==this.min&&void 0!==this.max?[this.min,this.max]:null}valueToHex(e,t){var r,s;if(e=this.mult*e,t?(r=t[0],s=t[1]):(r=this.min,s=this.max),void 0===e)return 16777215;var n=a(r,s,e);r=n.lo;var o,l=((s=n.hi)+r)/2;return(e=n.val)<(l=t&&void 0!==t[2]?t[2]:void 0!==this.mid?this.mid:(r+s)/2)?16711680+256*(o=Math.floor(255*Math.sqrt((e-r)/(l-r))))+o:e>l?65536*(o=Math.floor(255*Math.sqrt(1-(e-l)/(s-l))))+256*o+255:16777215}}class ROYGB extends GradientType{constructor(e,t){super(),this.gradient="ROYGB",this.mult=1,this.min=e,this.max=t,void 0===t&&Array.isArray(e)&&e.length>=2?(this.max=e[1],this.min=e[0]):e&&t&&!Array.isArray(e)&&(this.min=e,this.max=t)}valueToHex(e,t){var r,s;if(e=this.mult*e,t?(r=t[0],s=t[1]):(r=this.min,s=this.max),void 0===e)return 16777215;var n=a(r,s,e),o=((r=n.lo)+(s=n.hi))/2,l=(r+o)/2,h=(o+s)/2;return(e=n.val)=2&&(this.max=e[1],this.min=e[0]),t=2?(this.max=e[1],this.min=e[0],a=t):(this.min=e,this.max=t,a=r),a)for(let e of a)this.colors.push(s.CC.color(e));else this.colors.push(s.CC.color(0))}range(){return void 0!==this.min&&void 0!==this.max?[this.min,this.max]:null}valueToHex(e,t){var r,n;if(t?(r=t[0],n=t[1]):(r=this.min,n=this.max),void 0===e)return 16777215;var o=a(r,n,e);r=o.lo,n=o.hi,e=o.val;let l=this.colors.length,h=(n-r)/l,c=Math.min(Math.floor((e-r)/h),l-1),u=Math.min(c+1,l-1),f=(e-r-c*h)/h,p=this.colors[c],g=this.colors[u];return new s.Color(p.r+f*(g.r-p.r),p.g+f*(g.g-p.g),p.b+f*(g.b-p.b)).getHex()}}const o={rwb:RWB,RWB,roygb:ROYGB,ROYGB,sinebow:Sinebow,linear:CustomLinear};class Gradient extends GradientType{valueToHex(e,t){return 0}range(){return null}}Gradient.RWB=RWB,Gradient.ROYGB=ROYGB,Gradient.Sinebow=Sinebow,Gradient.CustomLinear=CustomLinear,Gradient.builtinGradients=o,Gradient.normalizeValue=a,Gradient.getGradient=n},7825:(e,t,r)=>{"use strict";r.r(t),r.d(t,{Label:()=>Label,LabelCount:()=>o});var s=r(7693),a=r(1460),n=r(2550);let o=0;function l(e,t,r){var s=r;return void 0!==e&&(e instanceof n.Color?s=e.scaled():void 0!==(s=n.CC.color(e)).scaled&&(s=s.scaled())),void 0!==t&&(s.a=parseFloat(t)),s}class Label{constructor(e,t){this.id=o++,this.stylespec=t||{},this.canvas=document.createElement("canvas"),this.canvas.width=134,this.canvas.height=35,this.context=this.canvas.getContext("2d"),this.sprite=new s.Sprite,this.text=e,this.frame=this.stylespec.frame}getStyle(){return this.stylespec}setContext(){var e=this.stylespec,t=void 0!==e.useScreen&&e.useScreen,r=e.showBackground;"0"!==r&&"false"!==r||(r=!1),void 0===r&&(r=!0);var n=e.font?e.font:"sans-serif",o=parseInt(e.fontSize)?parseInt(e.fontSize):18,h=l(e.fontColor,e.fontOpacity,{r:255,g:255,b:255,a:1}),c=e.padding?e.padding:4,u=e.borderThickness?e.borderThickness:0,f=l(e.backgroundColor,e.backgroundOpacity,{r:0,g:0,b:0,a:1}),p=l(e.borderColor,e.borderOpacity,f),g=e.position?e.position:{x:-10,y:1,z:1},v=void 0===e.inFront||e.inFront;"false"!==v&&"0"!==v||(v=!1);var _=e.alignment||s.SpriteAlignment.topLeft;"string"==typeof _&&_ in s.SpriteAlignment&&(_=s.SpriteAlignment[_]);var y="";e.bold&&(y="bold "),this.context.font=y+o+"px "+n;var b=this.context.measureText(this.text).width;r||(u=0);var w=b+2.5*u+2*c,x=1.25*o+2*u+2*c;if(e.backgroundImage){var A=e.backgroundImage,C=e.backgroundWidth?e.backgroundWidth:A.width,S=e.backgroundHeight?e.backgroundHeight:A.height;C>w&&(w=C),S>x&&(x=S)}if(this.canvas.width=w,this.canvas.height=x,this.context.clearRect(0,0,this.canvas.width,this.canvas.height),y="",e.bold&&(y="bold "),this.context.font=y+o+"px "+n,this.context.fillStyle="rgba("+f.r+","+f.g+","+f.b+","+f.a+")",this.context.strokeStyle="rgba("+p.r+","+p.g+","+p.b+","+p.a+")",e.backgroundGradient){let t=this.context.createLinearGradient(0,x/2,w,x/2),r=a.Gradient.getGradient(e.backgroundGradient),s=r.range(),n=-1,o=1;s&&(n=s[0],o=s[1]);let h=o-n;for(let e=0;e<1.01;e+=.1){let s=l(r.valueToHex(n+h*e)),a="rgba("+s.r+","+s.g+","+s.b+","+s.a+")";t.addColorStop(e,a)}this.context.fillStyle=t}this.context.lineWidth=u,r&&function(e,t,r,s,a,n,o){e.beginPath(),e.moveTo(t+n,r),e.lineTo(t+s-n,r),e.quadraticCurveTo(t+s,r,t+s,r+n),e.lineTo(t+s,r+a-n),e.quadraticCurveTo(t+s,r+a,t+s-n,r+a),e.lineTo(t+n,r+a),e.quadraticCurveTo(t,r+a,t,r+a-n),e.lineTo(t,r+n),e.quadraticCurveTo(t,r,t+n,r),e.closePath(),e.fill(),o&&e.stroke()}(this.context,u,u,w-2*u,x-2*u,6,u>0),e.backgroundImage&&this.context.drawImage(A,0,0,w,x),this.context.fillStyle="rgba("+h.r+","+h.g+","+h.b+","+h.a+")",this.context.fillText(this.text,u+c,o+u+c,b);var M=new s.Texture(this.canvas);M.needsUpdate=!0,this.sprite.material=new s.SpriteMaterial({map:M,useScreenCoordinates:t,alignment:_,depthTest:!v,screenOffset:e.screenOffset||null}),this.sprite.scale.set(1,1,1),this.sprite.position.set(g.x,g.y,g.z)}dispose(){void 0!==this.sprite.material.map&&this.sprite.material.map.dispose(),void 0!==this.sprite.material&&this.sprite.material.dispose()}}},9192:(e,t,r)=>{"use strict";r.r(t),r.d(t,{MarchingCube:()=>MarchingCube,MarchingCubeInitializer:()=>MarchingCubeInitializer,PointGrid:()=>PointGrid,ProteinSurface:()=>ProteinSurface,SurfaceType:()=>s,setSyncSurface:()=>o,syncSurface:()=>n});var s,a=r(9652);!function(e){e[e.VDW=1]="VDW",e[e.MS=2]="MS",e[e.SAS=3]="SAS",e[e.SES=4]="SES"}(s||(s={}));var n=!1;function o(e){n=e}(window.navigator.userAgent.indexOf("MSIE ")>=0||window.navigator.userAgent.indexOf("Trident/")>=0)&&(n=!0);class MarchingCubeInitializer{constructor(){this.ISDONE=2,this.edgeTable=new Uint32Array([0,0,0,0,0,0,0,2816,0,0,0,1792,0,3328,3584,3840,0,0,0,138,0,21,0,134,0,0,0,652,0,2067,3865,3600,0,0,0,42,0,0,0,294,0,0,21,28,0,3875,1049,3360,0,168,162,170,0,645,2475,2210,0,687,293,172,4010,3747,3497,3232,0,0,0,0,0,69,0,900,0,0,0,1792,138,131,1608,1920,0,81,0,2074,84,85,84,86,0,81,0,3676,330,1105,1881,1616,0,0,0,42,0,69,0,502,0,0,21,3580,138,2035,1273,1520,2816,104,2337,106,840,581,367,102,2816,3695,3429,3180,1898,1635,1385,1120,0,0,0,0,0,0,0,3910,0,0,69,588,42,2083,41,2880,0,0,0,1722,0,2293,4095,3830,0,255,757,764,2538,2291,3065,2800,0,0,81,338,0,3925,1119,3414,84,855,85,340,2130,2899,89,2384,1792,712,194,1162,4036,3781,3535,3270,708,719,197,204,3018,2755,2505,2240,0,0,0,0,168,420,168,1958,162,162,676,2988,170,163,680,928,3328,3096,3328,3642,52,53,1855,1590,2340,2111,2869,2620,298,51,825,560,3584,3584,3090,3482,1668,1941,1183,1430,146,2975,2069,2460,154,915,153,400,3840,3592,3329,3082,1796,1541,1295,1030,2818,2575,2309,2060,778,515,265,0]),this.triTable=[[],[],[],[],[],[],[],[11,9,8],[],[],[],[8,10,9],[],[10,8,11],[9,11,10],[8,10,9,8,11,10],[],[],[],[1,7,3],[],[4,2,0],[],[2,1,7],[],[],[],[2,7,3,2,9,7],[],[1,4,11,1,0,4],[3,8,0,11,9,4,11,10,9],[4,11,9,11,10,9],[],[],[],[5,3,1],[],[],[],[2,5,8,2,1,5],[],[],[2,4,0],[3,2,4],[],[0,9,1,8,10,5,8,11,10],[3,4,0,3,10,4],[5,8,10,8,11,10],[],[3,5,7],[7,1,5],[1,7,3,1,5,7],[],[9,2,0,9,7,2],[0,3,8,1,7,11,1,5,7],[11,1,7,1,5,7],[],[9,1,0,5,3,2,5,7,3],[8,2,5,8,0,2],[2,5,3,5,7,3],[3,9,1,3,8,9,7,11,10,7,10,5],[9,1,0,10,7,11,10,5,7],[3,8,0,7,10,5,7,11,10],[11,5,7,11,10,5],[],[],[],[],[],[0,6,2],[],[7,2,9,7,9,8],[],[],[],[8,10,9],[7,1,3],[7,1,0],[6,9,3,6,10,9],[7,10,8,10,9,8],[],[6,0,4],[],[11,1,4,11,3,1],[2,4,6],[2,0,4,2,4,6],[2,4,6],[1,4,2,4,6,2],[],[6,0,4],[],[2,11,3,6,9,4,6,10,9],[8,6,1,8,1,3],[10,0,6,0,4,6],[8,0,3,9,6,10,9,4,6],[10,4,6,10,9,4],[],[],[],[5,3,1],[],[0,6,2],[],[7,4,8,5,2,1,5,6,2],[],[],[2,4,0],[7,4,8,2,11,3,10,5,6],[7,1,3],[5,6,10,0,9,1,8,7,4],[5,6,10,7,0,3,7,4,0],[10,5,6,4,8,7],[9,11,8],[3,5,6],[0,5,11,0,11,8],[6,3,5,3,1,5],[3,9,6,3,8,9],[9,6,0,6,2,0],[0,3,8,2,5,6,2,1,5],[1,6,2,1,5,6],[9,11,8],[1,0,9,6,10,5,11,3,2],[6,10,5,2,8,0,2,11,8],[3,2,11,10,5,6],[10,5,6,9,3,8,9,1,3],[0,9,1,5,6,10],[8,0,3,10,5,6],[10,5,6],[],[],[],[],[],[],[],[1,10,2,9,11,6,9,8,11],[],[],[6,0,2],[3,6,9,3,2,6],[3,5,1],[0,5,1,0,11,5],[0,3,5],[6,9,11,9,8,11],[],[],[],[4,5,9,7,1,10,7,3,1],[],[11,6,7,2,4,5,2,0,4],[11,6,7,8,0,3,1,10,2,9,4,5],[6,7,11,1,10,2,9,4,5],[],[4,1,0,4,5,1,6,7,3,6,3,2],[9,4,5,0,6,7,0,2,6],[4,5,9,6,3,2,6,7,3],[6,7,11,5,3,8,5,1,3],[6,7,11,4,1,0,4,5,1],[4,5,9,3,8,0,11,6,7],[9,4,5,7,11,6],[],[],[0,6,4],[8,6,4,8,1,6],[],[0,10,2,0,9,10,4,8,11,4,11,6],[10,2,1,6,0,3,6,4,0],[10,2,1,11,4,8,11,6,4],[4,2,6],[1,0,9,2,4,8,2,6,4],[2,4,0,2,6,4],[8,2,4,2,6,4],[11,4,1,11,6,4],[0,9,1,4,11,6,4,8,11],[3,6,0,6,4,0],[8,6,4,8,11,6],[10,8,9],[6,3,9,6,7,3],[6,7,1],[10,7,1,7,3,1],[7,11,6,8,10,2,8,9,10],[11,6,7,10,0,9,10,2,0],[2,1,10,7,11,6,8,0,3],[1,10,2,6,7,11],[7,2,6,7,9,2],[1,0,9,3,6,7,3,2,6],[7,0,6,0,2,6],[2,7,3,2,6,7],[7,11,6,3,9,1,3,8,9],[9,1,0,11,6,7],[0,3,8,11,6,7],[11,6,7],[],[],[],[],[5,3,7],[8,5,2,8,7,5],[5,3,7],[1,10,2,5,8,7,5,9,8],[1,7,5],[1,7,5],[9,2,7,9,7,5],[11,3,2,8,5,9,8,7,5],[1,3,7,1,7,5],[0,7,1,7,5,1],[9,3,5,3,7,5],[9,7,5,9,8,7],[8,10,11],[3,4,10,3,10,11],[8,10,11],[5,9,4,1,11,3,1,10,11],[2,4,5],[5,2,4,2,0,4],[0,3,8,5,9,4,10,2,1],[2,1,10,9,4,5],[2,8,5,2,11,8],[3,2,11,1,4,5,1,0,4],[9,4,5,8,2,11,8,0,2],[11,3,2,9,4,5],[8,5,3,5,1,3],[5,0,4,5,1,0],[3,8,0,4,5,9],[9,4,5],[11,9,10],[11,9,10],[1,11,4,1,10,11],[8,7,4,11,1,10,11,3,1],[2,7,9,2,9,10],[4,8,7,0,10,2,0,9,10],[2,1,10,0,7,4,0,3,7],[10,2,1,8,7,4],[1,7,4],[3,2,11,4,8,7,9,1,0],[11,4,2,4,0,2],[2,11,3,7,4,8],[4,1,7,1,3,7],[1,0,9,8,7,4],[3,4,0,3,7,4],[8,7,4],[8,9,10,8,10,11],[3,9,11,9,10,11],[0,10,8,10,11,8],[10,3,1,10,11,3],[2,8,10,8,9,10],[9,2,0,9,10,2],[8,0,3,1,10,2],[10,2,1],[1,11,9,11,8,9],[11,3,2,0,9,1],[11,0,2,11,8,0],[11,3,2],[8,1,3,8,9,1],[9,1,0],[8,0,3],[]],this.edgeTable2=[0,265,515,778,2060,2309,2575,2822,1030,1295,1541,1804,3082,3331,3593,3840,400,153,915,666,2460,2197,2975,2710,1430,1183,1941,1692,3482,3219,3993,3728,560,825,51,314,2620,2869,2111,2358,1590,1855,1077,1340,3642,3891,3129,3376,928,681,419,170,2988,2725,2479,2214,1958,1711,1445,1196,4010,3747,3497,3232,2240,2505,2755,3018,204,453,719,966,3270,3535,3781,4044,1226,1475,1737,1984,2384,2137,2899,2650,348,85,863,598,3414,3167,3925,3676,1370,1107,1881,1616,2800,3065,2291,2554,764,1013,255,502,3830,4095,3317,3580,1786,2035,1273,1520,2912,2665,2403,2154,876,613,367,102,3942,3695,3429,3180,1898,1635,1385,1120,1120,1385,1635,1898,3180,3429,3695,3942,102,367,613,876,2154,2403,2665,2912,1520,1273,2035,1786,3580,3317,4095,3830,502,255,1013,764,2554,2291,3065,2800,1616,1881,1107,1370,3676,3925,3167,3414,598,863,85,348,2650,2899,2137,2384,1984,1737,1475,1226,4044,3781,3535,3270,966,719,453,204,3018,2755,2505,2240,3232,3497,3747,4010,1196,1445,1711,1958,2214,2479,2725,2988,170,419,681,928,3376,3129,3891,3642,1340,1077,1855,1590,2358,2111,2869,2620,314,51,825,560,3728,3993,3219,3482,1692,1941,1183,1430,2710,2975,2197,2460,666,915,153,400,3840,3593,3331,3082,1804,1541,1295,1030,2822,2575,2309,2060,778,515,265,0],this.triTable2=[[],[8,3,0],[9,0,1],[8,3,1,8,1,9],[11,2,3],[11,2,0,11,0,8],[11,2,3,0,1,9],[2,1,11,1,9,11,11,9,8],[10,1,2],[8,3,0,1,2,10],[9,0,2,9,2,10],[3,2,8,2,10,8,8,10,9],[10,1,3,10,3,11],[1,0,10,0,8,10,10,8,11],[0,3,9,3,11,9,9,11,10],[8,10,9,8,11,10],[8,4,7],[3,0,4,3,4,7],[1,9,0,8,4,7],[9,4,1,4,7,1,1,7,3],[2,3,11,7,8,4],[7,11,4,11,2,4,4,2,0],[3,11,2,4,7,8,9,0,1],[2,7,11,2,1,7,1,4,7,1,9,4],[10,1,2,8,4,7],[2,10,1,0,4,7,0,7,3],[4,7,8,0,2,10,0,10,9],[2,7,3,2,9,7,7,9,4,2,10,9],[8,4,7,11,10,1,11,1,3],[11,4,7,1,4,11,1,11,10,1,0,4],[3,8,0,7,11,4,11,9,4,11,10,9],[7,11,4,4,11,9,11,10,9],[9,5,4],[3,0,8,4,9,5],[5,4,0,5,0,1],[4,8,5,8,3,5,5,3,1],[11,2,3,9,5,4],[9,5,4,8,11,2,8,2,0],[3,11,2,1,5,4,1,4,0],[8,5,4,2,5,8,2,8,11,2,1,5],[2,10,1,9,5,4],[0,8,3,5,4,9,10,1,2],[10,5,2,5,4,2,2,4,0],[3,4,8,3,2,4,2,5,4,2,10,5],[5,4,9,1,3,11,1,11,10],[0,9,1,4,8,5,8,10,5,8,11,10],[3,4,0,3,10,4,4,10,5,3,11,10],[4,8,5,5,8,10,8,11,10],[9,5,7,9,7,8],[0,9,3,9,5,3,3,5,7],[8,0,7,0,1,7,7,1,5],[1,7,3,1,5,7],[11,2,3,8,9,5,8,5,7],[9,2,0,9,7,2,2,7,11,9,5,7],[0,3,8,2,1,11,1,7,11,1,5,7],[2,1,11,11,1,7,1,5,7],[1,2,10,5,7,8,5,8,9],[9,1,0,10,5,2,5,3,2,5,7,3],[5,2,10,8,2,5,8,5,7,8,0,2],[10,5,2,2,5,3,5,7,3],[3,9,1,3,8,9,7,11,10,7,10,5],[9,1,0,10,7,11,10,5,7],[3,8,0,7,10,5,7,11,10],[11,5,7,11,10,5],[11,7,6],[0,8,3,11,7,6],[9,0,1,11,7,6],[7,6,11,3,1,9,3,9,8],[2,3,7,2,7,6],[8,7,0,7,6,0,0,6,2],[1,9,0,3,7,6,3,6,2],[7,6,2,7,2,9,2,1,9,7,9,8],[1,2,10,6,11,7],[2,10,1,7,6,11,8,3,0],[11,7,6,10,9,0,10,0,2],[7,6,11,3,2,8,8,2,10,8,10,9],[6,10,7,10,1,7,7,1,3],[6,10,1,6,1,7,7,1,0,7,0,8],[9,0,3,6,9,3,6,10,9,6,3,7],[6,10,7,7,10,8,10,9,8],[8,4,6,8,6,11],[11,3,6,3,0,6,6,0,4],[0,1,9,4,6,11,4,11,8],[1,9,4,11,1,4,11,3,1,11,4,6],[3,8,2,8,4,2,2,4,6],[2,0,4,2,4,6],[1,9,0,3,8,2,2,8,4,2,4,6],[9,4,1,1,4,2,4,6,2],[10,1,2,11,8,4,11,4,6],[10,1,2,11,3,6,6,3,0,6,0,4],[0,2,10,0,10,9,4,11,8,4,6,11],[2,11,3,6,9,4,6,10,9],[8,4,6,8,6,1,6,10,1,8,1,3],[1,0,10,10,0,6,0,4,6],[8,0,3,9,6,10,9,4,6],[10,4,6,10,9,4],[9,5,4,7,6,11],[4,9,5,3,0,8,11,7,6],[6,11,7,4,0,1,4,1,5],[6,11,7,4,8,5,5,8,3,5,3,1],[4,9,5,6,2,3,6,3,7],[9,5,4,8,7,0,0,7,6,0,6,2],[4,0,1,4,1,5,6,3,7,6,2,3],[7,4,8,5,2,1,5,6,2],[6,11,7,1,2,10,9,5,4],[11,7,6,8,3,0,1,2,10,9,5,4],[11,7,6,10,5,2,2,5,4,2,4,0],[7,4,8,2,11,3,10,5,6],[4,9,5,6,10,7,7,10,1,7,1,3],[5,6,10,0,9,1,8,7,4],[5,6,10,7,0,3,7,4,0],[10,5,6,4,8,7],[5,6,9,6,11,9,9,11,8],[0,9,5,0,5,3,3,5,6,3,6,11],[0,1,5,0,5,11,5,6,11,0,11,8],[11,3,6,6,3,5,3,1,5],[9,5,6,3,9,6,3,8,9,3,6,2],[5,6,9,9,6,0,6,2,0],[0,3,8,2,5,6,2,1,5],[1,6,2,1,5,6],[1,2,10,5,6,9,9,6,11,9,11,8],[1,0,9,6,10,5,11,3,2],[6,10,5,2,8,0,2,11,8],[3,2,11,10,5,6],[10,5,6,9,3,8,9,1,3],[0,9,1,5,6,10],[8,0,3,10,5,6],[10,5,6],[10,6,5],[8,3,0,10,6,5],[0,1,9,5,10,6],[10,6,5,9,8,3,9,3,1],[3,11,2,10,6,5],[6,5,10,2,0,8,2,8,11],[1,9,0,6,5,10,11,2,3],[1,10,2,5,9,6,9,11,6,9,8,11],[1,2,6,1,6,5],[0,8,3,2,6,5,2,5,1],[5,9,6,9,0,6,6,0,2],[9,6,5,3,6,9,3,9,8,3,2,6],[11,6,3,6,5,3,3,5,1],[0,5,1,0,11,5,5,11,6,0,8,11],[0,5,9,0,3,5,3,6,5,3,11,6],[5,9,6,6,9,11,9,8,11],[10,6,5,4,7,8],[5,10,6,7,3,0,7,0,4],[5,10,6,0,1,9,8,4,7],[4,5,9,6,7,10,7,1,10,7,3,1],[7,8,4,2,3,11,10,6,5],[11,6,7,10,2,5,2,4,5,2,0,4],[11,6,7,8,0,3,1,10,2,9,4,5],[6,7,11,1,10,2,9,4,5],[7,8,4,5,1,2,5,2,6],[4,1,0,4,5,1,6,7,3,6,3,2],[9,4,5,8,0,7,0,6,7,0,2,6],[4,5,9,6,3,2,6,7,3],[6,7,11,4,5,8,5,3,8,5,1,3],[6,7,11,4,1,0,4,5,1],[4,5,9,3,8,0,11,6,7],[9,4,5,7,11,6],[10,6,4,10,4,9],[8,3,0,9,10,6,9,6,4],[1,10,0,10,6,0,0,6,4],[8,6,4,8,1,6,6,1,10,8,3,1],[2,3,11,6,4,9,6,9,10],[0,10,2,0,9,10,4,8,11,4,11,6],[10,2,1,11,6,3,6,0,3,6,4,0],[10,2,1,11,4,8,11,6,4],[9,1,4,1,2,4,4,2,6],[1,0,9,3,2,8,2,4,8,2,6,4],[2,4,0,2,6,4],[3,2,8,8,2,4,2,6,4],[1,4,9,11,4,1,11,1,3,11,6,4],[0,9,1,4,11,6,4,8,11],[11,6,3,3,6,0,6,4,0],[8,6,4,8,11,6],[6,7,10,7,8,10,10,8,9],[9,3,0,6,3,9,6,9,10,6,7,3],[6,1,10,6,7,1,7,0,1,7,8,0],[6,7,10,10,7,1,7,3,1],[7,11,6,3,8,2,8,10,2,8,9,10],[11,6,7,10,0,9,10,2,0],[2,1,10,7,11,6,8,0,3],[1,10,2,6,7,11],[7,2,6,7,9,2,2,9,1,7,8,9],[1,0,9,3,6,7,3,2,6],[8,0,7,7,0,6,0,2,6],[2,7,3,2,6,7],[7,11,6,3,9,1,3,8,9],[9,1,0,11,6,7],[0,3,8,11,6,7],[11,6,7],[11,7,5,11,5,10],[3,0,8,7,5,10,7,10,11],[9,0,1,10,11,7,10,7,5],[3,1,9,3,9,8,7,10,11,7,5,10],[10,2,5,2,3,5,5,3,7],[5,10,2,8,5,2,8,7,5,8,2,0],[9,0,1,10,2,5,5,2,3,5,3,7],[1,10,2,5,8,7,5,9,8],[2,11,1,11,7,1,1,7,5],[0,8,3,2,11,1,1,11,7,1,7,5],[9,0,2,9,2,7,2,11,7,9,7,5],[11,3,2,8,5,9,8,7,5],[1,3,7,1,7,5],[8,7,0,0,7,1,7,5,1],[0,3,9,9,3,5,3,7,5],[9,7,5,9,8,7],[4,5,8,5,10,8,8,10,11],[3,0,4,3,4,10,4,5,10,3,10,11],[0,1,9,4,5,8,8,5,10,8,10,11],[5,9,4,1,11,3,1,10,11],[3,8,4,3,4,2,2,4,5,2,5,10],[10,2,5,5,2,4,2,0,4],[0,3,8,5,9,4,10,2,1],[2,1,10,9,4,5],[8,4,5,2,8,5,2,11,8,2,5,1],[3,2,11,1,4,5,1,0,4],[9,4,5,8,2,11,8,0,2],[11,3,2,9,4,5],[4,5,8,8,5,3,5,1,3],[5,0,4,5,1,0],[3,8,0,4,5,9],[9,4,5],[7,4,11,4,9,11,11,9,10],[3,0,8,7,4,11,11,4,9,11,9,10],[11,7,4,1,11,4,1,10,11,1,4,0],[8,7,4,11,1,10,11,3,1],[2,3,7,2,7,9,7,4,9,2,9,10],[4,8,7,0,10,2,0,9,10],[2,1,10,0,7,4,0,3,7],[10,2,1,8,7,4],[2,11,7,2,7,1,1,7,4,1,4,9],[3,2,11,4,8,7,9,1,0],[7,4,11,11,4,2,4,0,2],[2,11,3,7,4,8],[9,1,4,4,1,7,1,3,7],[1,0,9,8,7,4],[3,4,0,3,7,4],[8,7,4],[8,9,10,8,10,11],[0,9,3,3,9,11,9,10,11],[1,10,0,0,10,8,10,11,8],[10,3,1,10,11,3],[3,8,2,2,8,10,8,9,10],[9,2,0,9,10,2],[8,0,3,1,10,2],[10,2,1],[2,11,1,1,11,9,11,8,9],[11,3,2,0,9,1],[11,0,2,11,8,0],[11,3,2],[8,1,3,8,9,1],[9,1,0],[8,0,3],[]]}march(e,t,r,s){let n=!!s.fulltable,o=s.hasOwnProperty("origin")&&s.origin.hasOwnProperty("x")?s.origin:{x:0,y:0,z:0},l=!!s.voxel,h=s.matrix,c=s.nX||0,u=s.nY||0,f=s.nZ||0,p=s.scale||1,g=null;g=s.unitCube?s.unitCube:{x:p,y:p,z:p};let v,_,y=new Int32Array(c*u*f);for(v=0,_=y.length;v<_;++v)y[v]=-1;let b=function(e,r,s,n,c,p){let v={x:0,y:0,z:0},_=c;if(!!!(n&1<>2))+s+((2&t)>>1))*f+a+(1&t)]&this.ISDONE)<=3&&(t.push(t[s]),s=t.length-1,t.push(t[a]),a=t.length-1,t.push(t[n]),n=t.length-1),r.push(s),r.push(a),r.push(n)}}}laplacianSmooth(e,t,r){let s,a,n,o,l,h=new Array(t.length);for(s=0,a=t.length;s1e6&&(this.scaleFactor=this.defaultScaleFactor/2);let s=1/this.scaleFactor*5.5;this.pminx=e[0][0],this.pmaxx=e[1][0],this.pminy=e[0][1],this.pmaxy=e[1][1],this.pminz=e[0][2],this.pmaxz=e[1][2],t?(this.pminx-=this.probeRadius+s,this.pminy-=this.probeRadius+s,this.pminz-=this.probeRadius+s,this.pmaxx+=this.probeRadius+s,this.pmaxy+=this.probeRadius+s,this.pmaxz+=this.probeRadius+s):(this.pminx-=s,this.pminy-=s,this.pminz-=s,this.pmaxx+=s,this.pmaxy+=s,this.pmaxz+=s),this.pminx=Math.floor(this.pminx*this.scaleFactor)/this.scaleFactor,this.pminy=Math.floor(this.pminy*this.scaleFactor)/this.scaleFactor,this.pminz=Math.floor(this.pminz*this.scaleFactor)/this.scaleFactor,this.pmaxx=Math.ceil(this.pmaxx*this.scaleFactor)/this.scaleFactor,this.pmaxy=Math.ceil(this.pmaxy*this.scaleFactor)/this.scaleFactor,this.pmaxz=Math.ceil(this.pmaxz*this.scaleFactor)/this.scaleFactor,this.ptranx=-this.pminx,this.ptrany=-this.pminy,this.ptranz=-this.pminz,this.pLength=Math.ceil(this.scaleFactor*(this.pmaxx-this.pminx))+1,this.pWidth=Math.ceil(this.scaleFactor*(this.pmaxy-this.pminy))+1,this.pHeight=Math.ceil(this.scaleFactor*(this.pmaxz-this.pminz))+1,this.boundingatom(t),this.cutRadius=this.probeRadius*this.scaleFactor,this.vpBits=new Uint8Array(this.pLength*this.pWidth*this.pHeight),this.vpDistance=new Float64Array(this.pLength*this.pWidth*this.pHeight),this.vpAtomID=new Int32Array(this.pLength*this.pWidth*this.pHeight)}boundingatom(e){let t={};for(const r in this.vdwRadii){let s=this.vdwRadii[r];t[r]=e?(s+this.probeRadius)*this.scaleFactor+.5:s*this.scaleFactor+.5;let a=t[r]*t[r];this.widxz[r]=Math.floor(t[r])+1,this.depty[r]=new Int32Array(this.widxz[r]*this.widxz[r]);let n=0;for(let e=0;ea)this.depty[r][n]=-1;else{let e=Math.sqrt(a-s);this.depty[r][n]=Math.floor(e)}n++}}}fillvoxels(e,t){for(let e=0,t=this.vpBits.length;e=this.pLength||c>=this.pWidth||u>=this.pHeight)continue;let p=o*l+c*this.pHeight+u;if(this.vpBits[p]&this.INOUT){let o=t[this.vpAtomID[p]];if(o.serial!=e.serial){let t=r+g-Math.floor(.5+this.scaleFactor*(o.x+this.ptranx)),l=s+n-Math.floor(.5+this.scaleFactor*(o.y+this.ptrany)),h=a+v-Math.floor(.5+this.scaleFactor*(o.z+this.ptranz));g*g+n*n+v*v=this.pLength||c>=this.pWidth||u>=this.pHeight)continue;let p=o*l+c*this.pHeight+u;if(this.vpBits[p]&this.ISDONE){let o=t[this.vpAtomID[p]];if(o.serial!=e.serial){let t=s+g-Math.floor(.5+this.scaleFactor*(o.x+this.ptranx)),l=a+r-Math.floor(.5+this.scaleFactor*(o.y+this.ptrany)),h=n+v-Math.floor(.5+this.scaleFactor*(o.z+this.ptranz));g*g+r*r+v*v-1&&o-1&&h-1&&l=l)||(this.vpBits[e]|=this.ISBOUND))}fastoneshell(e,t){let r,s,a,n,o,l,h,c,u,f=[];if(0===e.length)return f;let p={ix:-1,iy:-1,iz:-1},g=this.pWidth*this.pHeight;for(let v=0,_=e.length;v<_;v++){r=e[v].ix,s=e[v].iy,a=e[v].iz,c=t.get(r,s,a);for(let e=0;e<6;e++)p.ix=r+this.nb[e][0],p.iy=s+this.nb[e][1],p.iz=a+this.nb[e][2],p.ix-1&&p.iy-1&&p.iz-1&&(u=p.ix*g+this.pHeight*p.iy+p.iz,this.vpBits[u]&this.INOUT&&!(this.vpBits[u]&this.ISDONE)?(t.set(p.ix,p.iy,a+this.nb[e][2],c),n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,this.vpDistance[u]=h,this.vpBits[u]|=this.ISDONE,this.vpBits[u]|=this.ISBOUND,f.push({ix:p.ix,iy:p.iy,iz:p.iz})):this.vpBits[u]&this.INOUT&&this.vpBits[u]&this.ISDONE&&(n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,h-1&&p.iy-1&&p.iz-1&&(u=p.ix*g+this.pHeight*p.iy+p.iz,this.vpBits[u]&this.INOUT&&!(this.vpBits[u]&this.ISDONE)?(t.set(p.ix,p.iy,a+this.nb[e][2],c),n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,this.vpDistance[u]=h,this.vpBits[u]|=this.ISDONE,this.vpBits[u]|=this.ISBOUND,f.push({ix:p.ix,iy:p.iy,iz:p.iz})):this.vpBits[u]&this.INOUT&&this.vpBits[u]&this.ISDONE&&(n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,h-1&&p.iy-1&&p.iz-1&&(u=p.ix*g+this.pHeight*p.iy+p.iz,this.vpBits[u]&this.INOUT&&!(this.vpBits[u]&this.ISDONE)?(t.set(p.ix,p.iy,a+this.nb[e][2],c),n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,this.vpDistance[u]=h,this.vpBits[u]|=this.ISDONE,this.vpBits[u]|=this.ISBOUND,f.push({ix:p.ix,iy:p.iy,iz:p.iz})):this.vpBits[u]&this.INOUT&&this.vpBits[u]&this.ISDONE&&(n=p.ix-c.ix,o=p.iy-c.iy,l=p.iz-c.iz,h=n*n+o*o+l*l,h{"use strict";r.r(t),r.d(t,{VolumeData:()=>VolumeData});var s=r(9005),a=r(9652),n=r(5591),o=r(972),l=r(7885);class VolumeData{constructor(e,t,r){if(this.unit={x:1,y:1,z:1},this.origin={x:0,y:0,z:0},this.size={x:0,y:0,z:0},this.data=new Float32Array([]),this.matrix=null,this.inversematrix=null,this.isbinary=new Set(["ccp4","CCP4"]),this.getCoordinates=function(e){var t=e/(this.size.y*this.size.z),r=e%(this.size.y*this.size.z),s=e%this.size.z;return t*=this.unit.x,r*=this.unit.y,s*=this.unit.z,{x:t+=this.origin.x,y:r+=this.origin.y,z:s+=this.origin.z}},this.vasp=function(e){var t=e.replace(/^\s+/,"").split(/[\n\r]/),r=(0,n.VASP)(e)[0].length;if(0==r)return console.log("No good formating of CHG or CHGCAR file, not atomic information provided in the file."),void(this.data=[]);var s,o=1.889725992,l=parseFloat(t[1]);s=t[2].replace(/^\s+/,"").split(/\s+/);var h=new a.Vector3(parseFloat(s[0]),parseFloat(s[1]),parseFloat(s[2])).multiplyScalar(l*o);s=t[3].replace(/^\s+/,"").split(/\s+/);var c=new a.Vector3(parseFloat(s[0]),parseFloat(s[1]),parseFloat(s[2])).multiplyScalar(l*o);s=t[4].replace(/^\s+/,"").split(/\s+/);var u=new a.Vector3(parseFloat(s[0]),parseFloat(s[1]),parseFloat(s[2])).multiplyScalar(l*o),f=h.x*(c.y*u.z-u.y*c.z)-c.x*(h.y*u.z-u.y*h.z)+u.x*(h.y*c.z-c.y*h.z),p=1/(f=Math.abs(f)/Math.pow(o,3));t.splice(0,8+r+1);var g=t[0].replace(/^\s+/,"").replace(/\s+/g," ").split(" "),v=Math.abs(parseFloat(g[0])),_=Math.abs(parseFloat(g[1])),y=Math.abs(parseFloat(g[2])),b=this.origin=new a.Vector3(0,0,0);this.size={x:v,y:_,z:y},this.unit=new a.Vector3(h.x,c.y,u.z),h=h.multiplyScalar(1/(o*v)),c=c.multiplyScalar(1/(o*_)),u=u.multiplyScalar(1/(o*y)),0==h.y&&0==h.z&&0==c.x&&0==c.z&&0==u.x&&0==u.y||(this.matrix=new a.Matrix4(h.x,c.x,u.x,0,h.y,c.y,u.y,0,h.z,c.z,u.z,0,0,0,0,1),this.matrix=this.matrix.multiplyMatrices(this.matrix,(new a.Matrix4).makeTranslation(b.x,b.y,b.z)),this.origin=new a.Vector3(0,0,0),this.unit=new a.Vector3(1,1,1)),t.splice(0,1);var w=t.join(" "),x=(w=w.replace(/^\s+/,"")).split(/[\s\r]+/);x.splice(v*_*y+1);for(var A=Float32Array.from(x,parseFloat),C=0;C=this.size.x||t<0||t>=this.size.y||r<0||r>=this.size.z?-1:e*this.size.y*this.size.z+t*this.size.z+r}getVal(e,t,r){let s=this.getIndex(e,t,r);return s<0?0:this.data[s]}cube(e){var t=e.split(/\r?\n/);if(!(t.length<6)){var r=(0,o.CUBE)(e,{}).modelData[0].cryst,s=t[2].replace(/^\s+/,"").replace(/\s+/g," ").split(" "),a=parseFloat(s[0]),n=Math.abs(a);this.origin=r.origin,this.size=r.size,this.unit=r.unit,this.matrix=r.matrix4;var l=6;a<0&&l++;var h=t.splice(n+l).join(" "),c=(h=h.replace(/^\s+/,"")).split(/[\s\r]+/);this.data=Float32Array.from(c,parseFloat)}}ccp4(e){var t={};e=new Int8Array(e);var r=new Int32Array(e.buffer,0,56),s=new Float32Array(e.buffer,0,56),n=new DataView(e.buffer);if(t.MAP=String.fromCharCode(n.getUint8(208),n.getUint8(209),n.getUint8(210),n.getUint8(211)),t.MACHST=[n.getUint8(212),n.getUint8(213)],17===t.MACHST[0]&&17===t.MACHST[1])for(var o=e.byteLength,l=0;l{"use strict";r.r(t),r.d(t,{GLVolumetricRender:()=>GLVolumetricRender});var s=r(3351),a=r(9652),n=r(7693),o=r(2550),l=r(8783);class GLVolumetricRender{static interpolateArray(e,t){function r(e,t,r){return e+(t-e)*r}var s=[],a=(e.length-1)/(t-1);s[0]=e[0];for(var n=1;n=0||e.getIndex(u,f,p)>=0)for(let t=l;t=0&&!r[l]){(t-o.x)*(t-o.x)+(s-o.y)*(s-o.y)+(n-o.z)*(n-o.z){"use strict";var s;r.r(t),r.d(t,{BackSide:()=>n,Camera:()=>Camera,ClampToEdgeWrapping:()=>u,Coloring:()=>s,Cylinder:()=>E.Cylinder,DoubleSide:()=>o,EventDispatcher:()=>EventDispatcher,FloatType:()=>_,Fog:()=>Fog,FrontSide:()=>a,Geometry:()=>Geometry,GeometryGroup:()=>GeometryGroup,GeometryIDCount:()=>M,ImposterMaterial:()=>ImposterMaterial,InstancedMaterial:()=>InstancedMaterial,Light:()=>Light,Line:()=>Line,LineBasicMaterial:()=>LineBasicMaterial,LineStyle:()=>j,LinearFilter:()=>f,LinearMipMapLinearFilter:()=>g,Material:()=>Material,MaterialIdCount:()=>C,Matrix3:()=>h.Matrix3,Matrix4:()=>h.Matrix4,Mesh:()=>Mesh,MeshDoubleLambertMaterial:()=>MeshDoubleLambertMaterial,MeshLambertMaterial:()=>MeshLambertMaterial,MeshOutlineMaterial:()=>MeshOutlineMaterial,NearestFilter:()=>p,Object3D:()=>Object3D,Object3DIDCount:()=>z,Projector:()=>Projector,Quaternion:()=>h.Quaternion,R32Format:()=>w,RFormat:()=>b,RGBAFormat:()=>y,Ray:()=>h.Ray,Raycaster:()=>Raycaster,Renderer:()=>Renderer,Scene:()=>Scene,ShaderLib:()=>pe,ShaderUtils:()=>ge,Shading:()=>l,Sphere:()=>E.Sphere,SphereImposterMaterial:()=>SphereImposterMaterial,SphereImposterOutlineMaterial:()=>SphereImposterOutlineMaterial,Sprite:()=>Sprite,SpriteAlignment:()=>c,SpriteMaterial:()=>SpriteMaterial,SpritePlugin:()=>SpritePlugin,StickImposterMaterial:()=>StickImposterMaterial,StickImposterOutlineMaterial:()=>StickImposterOutlineMaterial,Texture:()=>Texture,TextureIdCount:()=>V,TextureOperations:()=>x,Triangle:()=>E.Triangle,UVMapping:()=>UVMapping,UnsignedByteType:()=>v,Vector2:()=>h.Vector2,Vector3:()=>h.Vector3,VolumetricMaterial:()=>VolumetricMaterial,basic:()=>W,clamp:()=>h.clamp,clone:()=>me,conversionMatrix3:()=>h.conversionMatrix3,degToRad:()=>h.degToRad,instanced:()=>Y,intersectObject:()=>U,lambert:()=>X,lambertdouble:()=>$,outline:()=>J,screen:()=>ee,screenaa:()=>te,sphereimposter:()=>ie,sphereimposteroutline:()=>ae,sprite:()=>ne,stickimposter:()=>he,stickimposteroutline:()=>de,volumetric:()=>fe}),function(e){e[e.NoColors=0]="NoColors",e[e.FaceColors=1]="FaceColors",e[e.VertexColors=2]="VertexColors"}(s||(s={}));const a=0,n=1,o=2;var l;!function(e){e[e.NoShading=0]="NoShading",e[e.FlatShading=1]="FlatShading",e[e.SmoothShading=2]="SmoothShading"}(l||(l={}));var h=r(9652);const c={topLeft:new h.Vector2(1,-1),topCenter:new h.Vector2(0,-1),topRight:new h.Vector2(-1,-1),centerLeft:new h.Vector2(1,0),center:new h.Vector2(0,0),centerRight:new h.Vector2(-1,0),bottomLeft:new h.Vector2(1,1),bottomCenter:new h.Vector2(0,1),bottomRight:new h.Vector2(-1,1)},u=1001,f=1006,p=1007,g=1008,v=1009,_=1010,y=1021,b=1022,w=1023;var x;!function(e){e[e.MultiplyOperation=0]="MultiplyOperation",e[e.MixOperation=1]="MixOperation",e[e.AddOperation=2]="AddOperation"}(x||(x={}));class EventDispatcher{constructor(){this.listeners={}}dispatchEvent(e){var t=this.listeners[e.type];if(void 0!==t){e.target=this;for(var r=0,s=t.length;r0?this.lineArray=(null==o?void 0:o.subarray(0,this.lineidx))||null:this.lineArray=new Uint16Array(0)):(this.normalArray=new Float32Array(0),this.faceArray=new Uint16Array(0),this.lineArray=new Uint16Array(0)),l&&(this.radiusArray=l.subarray(0,this.vertices)),t&&(this.normalArray&&(this.normalArray=new Float32Array(this.normalArray)),this.faceArray&&(this.faceArray=new Uint16Array(this.faceArray)),this.lineArray&&(this.lineArray=new Uint16Array(this.lineArray)),this.vertexArray&&(this.vertexArray=new Float32Array(this.vertexArray)),this.colorArray&&(this.colorArray=new Float32Array(this.colorArray)),this.radiusArray&&(this.radiusArray=new Float32Array(this.radiusArray))),this.__inittedArrays=!0}}class Geometry extends EventDispatcher{constructor(e=!1,t=!1,r=!1){super(),this.name="",this.hasTangents=!1,this.dynamic=!0,this.verticesNeedUpdate=!1,this.elementsNeedUpdate=!1,this.normalsNeedUpdate=!1,this.colorsNeedUpdate=!1,this.buffersNeedUpdate=!1,this.imposter=!1,this.instanced=!1,this.geometryGroups=[],this.groups=0,this.id=M++,this.mesh=e,this.radii=t,this.offset=r}updateGeoGroup(e=0){var t,r=this.groups>0?this.geometryGroups[this.groups-1]:null;return(!r||r.vertices+e>((null===(t=null==r?void 0:r.vertexArray)||void 0===t?void 0:t.length)||0)/3)&&(r=this.addGeoGroup()),r}vrml(e,t){for(var r="",s=this.geometryGroups.length,a=0;ae.distance-t.distance,k=new h.Matrix4;class Raycaster{constructor(e,t,r,s){this.precision=1e-4,this.linePrecision=.2,this.ray=new h.Ray(e,t),this.ray.direction.lengthSq()>0&&this.ray.direction.normalize(),this.near=s||0,this.far=r||1/0}set(e,t){this.ray.set(e,t)}setFromCamera(e,t){t.ortho?(this.ray.origin.set(e.x,e.y,(t.near+t.far)/(t.near-t.far)).unproject(t),this.ray.direction.set(0,0,-1).transformDirection(t.matrixWorld)):(this.ray.origin.setFromMatrixPosition(t.matrixWorld),this.ray.direction.set(e.x,e.y,e.z),t.projectionMatrixInverse.getInverse(t.projectionMatrix),k.multiplyMatrices(t.matrixWorld,t.projectionMatrixInverse),this.ray.direction.applyProjection(k),this.ray.direction.sub(this.ray.origin).normalize())}intersectObjects(e,t){for(var r=[],s=0,a=t.length;sMath.min(Math.max(e,-1),1);var O=new E.Sphere,D=new E.Cylinder,F=new E.Triangle,R=new h.Vector3,P=new h.Vector3,G=new h.Vector3,B=new h.Vector3,N=new h.Vector3;function U(e,t,r,s){if(N.getPositionFromMatrix(e.matrixWorld),void 0===t.intersectionShape)return s;var a,n,o,l,h,c,u,f,p,g,v,_,y,b,w=t.intersectionShape,x=r.linePrecision,A=(x*=e.matrixWorld.getMaxScaleOnAxis())*x;if(void 0!==t.boundingSphere&&t.boundingSphere instanceof E.Sphere&&(O.copy(t.boundingSphere),O.applyMatrix4(e.matrixWorld),!r.ray.isIntersectionSphere(O)))return s;for(a=0,n=w.triangle.length;a=0)continue;if(R.subVectors(F.a,r.ray.origin),(u=o.dot(R)/l)<0)continue;P.copy(r.ray.direction).multiplyScalar(u).add(r.ray.origin),P.sub(F.a),G.copy(F.b).sub(F.a),B.copy(F.c).sub(F.a);var C=G.dot(B),S=G.lengthSq(),M=B.lengthSq();if((_=(S*P.dot(B)-C*P.dot(G))/(S*M-C*C))<0||_>1)continue;if((v=(P.dot(G)-_*C)/S)<0||v>1||v+_>1)continue;s.push({clickable:t,distance:u})}for(a=0,n=w.cylinder.length;aD.lengthSq()||_<0)continue;s.push({clickable:t,distance:u})}}for(a=0,n=w.line.length;a lumaMax))\n color = vec4(rgbA, 1.0);\n else\n color = vec4(rgbB, 1.0);\n return color;\n}\n//DEFINEFRAGCOLOR\nvoid main (void) {\n gl_FragColor = applyFXAA(vTexCoords, colormap);\n}\n ".replace("#define GLSLIFY 1",""),vertexShader:"attribute vec2 vertexPosition;\nvarying highp vec2 vTexCoords;\nconst vec2 scale = vec2(0.5, 0.5);\n\nvoid main() {\n vTexCoords = vertexPosition * scale + scale; // scale vertex attribute to [0,1] range\n gl_Position = vec4(vertexPosition, 0.0, 1.0);\n}\n ".replace("#define GLSLIFY 1",""),uniforms:{}},re={opacity:{type:"f",value:1},fogColor:{type:"c",value:new A.Color(1,1,1)},fogNear:{type:"f",value:1},fogFar:{type:"f",value:2e3},directionalLightColor:{type:"fv",value:[]},directionalLightDirection:{type:"fv",value:[]}},ie={vertexShader:"uniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform mat4 viewMatrix;\nuniform mat3 normalMatrix;\nuniform vec3 directionalLightColor[ 1 ];\nuniform vec3 directionalLightDirection[ 1 ];\n\nattribute vec3 position;\nattribute vec3 normal;\nattribute vec3 color;\n\nvarying vec2 mapping;\nvarying vec3 vColor;\nvarying float rval;\nvarying vec3 vLight;\nvarying vec3 center;\n\nvoid main() {\n\n vColor = color;\n vec4 mvPosition = modelViewMatrix * vec4( position, 1.0 );\n center = mvPosition.xyz;\n vec4 projPosition = projectionMatrix * mvPosition;\n vec4 adjust = projectionMatrix* vec4(normal,0.0); adjust.z = 0.0; adjust.w = 0.0;\n vec4 lDirection = viewMatrix * vec4( directionalLightDirection[ 0 ], 0.0 );\n vLight = normalize( lDirection.xyz );\n mapping = normal.xy;\n rval = abs(normal.x);\n gl_Position = projPosition+adjust;\n\n}\n".replace("#define GLSLIFY 1",""),fragmentShader:"\nuniform mat4 viewMatrix;\nuniform float opacity;\nuniform mat4 projectionMatrix;\n\nuniform vec3 fogColor;\nuniform float fogNear;\nuniform float fogFar;\nuniform float uDepth;\nuniform vec3 directionalLightColor[ 1 ];\n\nvarying vec3 vColor;\nvarying vec2 mapping;\nvarying float rval;\nvarying vec3 vLight;\nvarying vec3 center;\n\n//DEFINEFRAGCOLOR\n\nvoid main() {\n float lensqr = dot(mapping,mapping);\n float rsqr = rval*rval;\n if(lensqr > rsqr)\n discard;\n float z = sqrt(rsqr-lensqr);\n vec3 cameraPos = center+ vec3(mapping.x,mapping.y,z);\n vec4 clipPos = projectionMatrix * vec4(cameraPos, 1.0);\n float ndcDepth = clipPos.z / clipPos.w;\n gl_FragDepthEXT = ((gl_DepthRange.diff * ndcDepth) + gl_DepthRange.near + gl_DepthRange.far) / 2.0;\n vec3 norm = normalize(vec3(mapping.x,mapping.y,z));\n float dotProduct = dot( norm, vLight );\n vec3 directionalLightWeighting = vec3( max( dotProduct, 0.0 ) );\n vec3 vLight = directionalLightColor[ 0 ] * directionalLightWeighting;\n gl_FragColor = vec4(vLight*vColor, opacity*opacity );\n float fogFactor = smoothstep( fogNear, fogFar, gl_FragDepthEXT/gl_FragCoord.w );\n gl_FragColor = mix( gl_FragColor, vec4( fogColor, gl_FragColor.w ), fogFactor );\n\n\n}\n\n".replace("#define GLSLIFY 1",""),uniforms:re},se={opacity:{type:"f",value:1},outlineColor:{type:"c",value:new A.Color(0,0,0)},fogColor:{type:"c",value:new A.Color(1,1,1)},fogNear:{type:"f",value:1},fogFar:{type:"f",value:2e3},outlineWidth:{type:"f",value:.1},outlinePushback:{type:"f",value:1}},ae={fragmentShader:"\n\nuniform float opacity;\nuniform vec3 outlineColor;\nuniform vec3 fogColor;\nuniform float fogNear;\nuniform float fogFar;\nuniform mat4 projectionMatrix;\nvarying vec2 mapping;\nvarying float rval;\nvarying vec3 center;\n\nuniform float outlinePushback;\n\n//DEFINEFRAGCOLOR\n\nvoid main() {\n float lensqr = dot(mapping,mapping);\n float rsqr = rval*rval;\n if(lensqr > rsqr)\n discard;\n float z = sqrt(rsqr-lensqr);\n vec3 cameraPos = center+ vec3(mapping.x,mapping.y,z-outlinePushback);\n vec4 clipPos = projectionMatrix * vec4(cameraPos, 1.0);\n float ndcDepth = clipPos.z / clipPos.w;\n gl_FragDepthEXT = ((gl_DepthRange.diff * ndcDepth) + gl_DepthRange.near + gl_DepthRange.far) / 2.0;\n gl_FragColor = vec4(outlineColor, 1 );\n}\n\n\n".replace("#define GLSLIFY 1",""),vertexShader:"\n\nuniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform float outlineWidth;\nuniform float outlinePushback;\n\nattribute vec3 position;\nattribute vec3 normal;\nattribute vec3 color;\n\nvarying vec2 mapping;\nvarying float rval;\nvarying vec3 center;\n\nvoid main() {\n\n vec4 mvPosition = modelViewMatrix * vec4( position, 1.0 );\n center = mvPosition.xyz;\n vec4 projPosition = projectionMatrix * mvPosition;\n vec2 norm = normal.xy + vec2(sign(normal.x)*outlineWidth,sign(normal.y)*outlineWidth);\n vec4 adjust = projectionMatrix* vec4(norm,normal.z,0.0); adjust.z = 0.0; adjust.w = 0.0;\n mapping = norm.xy;\n rval = abs(norm.x);\n gl_Position = projPosition+adjust;\n}\n\n".replace("#define GLSLIFY 1",""),uniforms:se},ne={fragmentShader:"\n\nuniform vec3 color;\nuniform sampler2D map;\nuniform float opacity;\n\nuniform int fogType;\nuniform vec3 fogColor;\nuniform float fogDensity;\nuniform float fogNear;\nuniform float fogFar;\nuniform float alphaTest;\n\nvarying vec2 vUV;\n//DEFINEFRAGCOLOR\n\nvoid main() {\n\n vec4 texture = texture2D(map, vUV);\n\n if (texture.a < alphaTest) discard;\n\n gl_FragColor = vec4(color * texture.xyz, texture.a * opacity);\n\n if (fogType > 0) {\n\n float depth = gl_FragCoord.z / gl_FragCoord.w;\n float fogFactor = 0.0;\n\n if (fogType == 1) {\n fogFactor = smoothstep(fogNear, fogFar, depth);\n }\n\n else {\n const float LOG2 = 1.442695;\n float fogFactor = exp2(- fogDensity * fogDensity * depth * depth * LOG2);\n fogFactor = 1.0 - clamp(fogFactor, 0.0, 1.0);\n }\n\n gl_FragColor = mix(gl_FragColor, vec4(fogColor, gl_FragColor.w), fogFactor);\n\n }\n}\n\n".replace("#define GLSLIFY 1",""),vertexShader:"\n\nuniform int useScreenCoordinates;\nuniform vec3 screenPosition;\nuniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform float rotation;\nuniform vec2 scale;\nuniform vec2 alignment;\nuniform vec2 uvOffset;\nuniform vec2 uvScale;\n\nattribute vec2 position;\nattribute vec2 uv;\n\nvarying vec2 vUV;\n\nvoid main() {\n\n vUV = uvOffset + uv * uvScale;\n\n vec2 alignedPosition = position + alignment;\n\n vec2 rotatedPosition;\n rotatedPosition.x = ( cos(rotation) * alignedPosition.x - sin(rotation) * alignedPosition.y ) * scale.x;\n rotatedPosition.y = ( sin(rotation) * alignedPosition.x + cos(rotation) * alignedPosition.y ) * scale.y;\n\n vec4 finalPosition;\n\n if(useScreenCoordinates != 0) {\n finalPosition = vec4(screenPosition.xy + rotatedPosition, screenPosition.z, 1.0);\n }\n\n else {\n finalPosition = projectionMatrix * modelViewMatrix * vec4(0.0, 0.0, 0.0, 1.0); finalPosition /= finalPosition.w;\n finalPosition.xy += rotatedPosition; \n }\n\n gl_Position = finalPosition;\n\n}\n\n".replace("#define GLSLIFY 1",""),uniforms:{}},oe={opacity:{type:"f",value:1},fogColor:{type:"c",value:new A.Color(1,1,1)},fogNear:{type:"f",value:1},fogFar:{type:"f",value:2e3},directionalLightColor:{type:"fv",value:[]},directionalLightDirection:{type:"fv",value:[]}},le="uniform float opacity;\nuniform mat4 projectionMatrix;\n\nuniform vec3 fogColor;\nuniform float fogNear;\nuniform float fogFar;\n\nvarying vec3 vLight;\nvarying vec3 vColor;\nvarying vec3 cposition;\nvarying vec3 p1;\nvarying vec3 p2;\nvarying float r;\n\n//DEFINEFRAGCOLOR\n\n//cylinder-ray intersection testing taken from http://mrl.nyu.edu/~dzorin/cg05/lecture12.pdf\n//also useful: http://stackoverflow.com/questions/9595300/cylinder-impostor-in-glsl\n//with a bit more care (caps) this could be a general cylinder imposter (see also outline)\nvoid main() {\n vec3 color = abs(vColor);\n vec3 pos = cposition;\n vec3 p = pos; //ray point\n vec3 v = vec3(0.0,0.0,-1.0); //ray normal - orthographic\n if(projectionMatrix[3][3] == 0.0) v = normalize(pos); //ray normal - perspective\n vec3 pa = p1; //cyl start\n vec3 va = normalize(p2-p1); //cyl norm\n vec3 tmp1 = v-(dot(v,va)*va);\n vec3 deltap = p-pa;\n float A = dot(tmp1,tmp1);\n if(A == 0.0) discard;\n vec3 tmp2 = deltap-(dot(deltap,va)*va);\n float B = 2.0*dot(tmp1, tmp2);\n float C = dot(tmp2,tmp2)-r*r;\n//quadratic equation!\n float det = (B*B) - (4.0*A*C);\n if(det < 0.0) discard;\n float sqrtDet = sqrt(det);\n float posT = (-B+sqrtDet)/(2.0*A);\n float negT = (-B-sqrtDet)/(2.0*A);\n float intersectionT = min(posT,negT);\n vec3 qi = p+v*intersectionT;\n float dotp1 = dot(va,qi-p1);\n float dotp2 = dot(va,qi-p2);\n vec3 norm;\n if( dotp1 < 0.0 || dotp2 > 0.0) { //(p-c)^2 + 2(p-c)vt +v^2+t^2 - r^2 = 0\n vec3 cp;\n if( dotp1 < 0.0) { \n// if(vColor.x < 0.0 ) discard; //color sign bit indicates if we should cap or not\n cp = p1;\n } else {\n// if(vColor.y < 0.0 ) discard;\n cp = p2;\n }\n vec3 diff = p-cp;\n A = dot(v,v);\n B = dot(diff,v)*2.0;\n C = dot(diff,diff)-r*r;\n det = (B*B) - (4.0*C);\n if(det < 0.0) discard;\n sqrtDet = sqrt(det);\n posT = (-B+sqrtDet)/(2.0);\n negT = (-B-sqrtDet)/(2.0);\n float t = min(posT,negT);\n qi = p+v*t; \n norm = normalize(qi-cp); \n } else {\n norm = normalize(qi-(dotp1*va + p1));\n }\n vec4 clipPos = projectionMatrix * vec4(qi, 1.0);\n float ndcDepth = clipPos.z / clipPos.w;\n float depth = ((gl_DepthRange.diff * ndcDepth) + gl_DepthRange.near + gl_DepthRange.far) / 2.0;\n gl_FragDepthEXT = depth;",he={fragmentShader:[le," float dotProduct = dot( norm, vLight );\n vec3 light = vec3( max( dotProduct, 0.0 ) );\n gl_FragColor = vec4(light*color, opacity*opacity );\n float fogFactor = smoothstep( fogNear, fogFar, depth );\n gl_FragColor = mix( gl_FragColor, vec4( fogColor, gl_FragColor.w ), fogFactor );\n}"].join("\n").replace("#define GLSLIFY 1",""),vertexShader:"\n\nuniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform mat4 viewMatrix;\nuniform mat3 normalMatrix;\nuniform vec3 directionalLightColor[ 1 ];\nuniform vec3 directionalLightDirection[ 1 ];\n\nattribute vec3 position;\nattribute vec3 normal;\nattribute vec3 color;\nattribute float radius;\n\nvarying vec3 vColor;\nvarying vec3 vLight;\nvarying vec3 cposition;\nvarying vec3 p1;\nvarying vec3 p2;\nvarying float r;\n\nvoid main() {\n\n vColor = color; vColor.z = abs(vColor.z); //z indicates which vertex and so would vary\n r = abs(radius);\n vec4 to = modelViewMatrix*vec4(normal, 1.0); //normal is other point of cylinder\n vec4 pt = modelViewMatrix*vec4(position, 1.0);\n vec4 mvPosition = pt;\n p1 = pt.xyz; p2 = to.xyz;\n vec3 norm = to.xyz-pt.xyz;\n float mult = 1.1; //slop to account for perspective of sphere\n if(length(p1) > length(p2)) { //billboard at level of closest point\n mvPosition = to;\n }\n vec3 n = normalize(mvPosition.xyz);\n//intersect with the plane defined by the camera looking at the billboard point\n if(color.z >= 0.0) { //p1\n if(projectionMatrix[3][3] == 0.0) { //perspective\n vec3 pnorm = normalize(p1);\n float t = dot(mvPosition.xyz-p1,n)/dot(pnorm,n);\n mvPosition.xyz = p1+t*pnorm; \n } else { //orthographic\n mvPosition.xyz = p1;\n }\n } else {\n if(projectionMatrix[3][3] == 0.0) { //perspective\n vec3 pnorm = normalize(p2);\n float t = dot(mvPosition.xyz-p2,n)/dot(pnorm,n);\n mvPosition.xyz = p2+t*pnorm;\n } else { //orthographic\n mvPosition.xyz = p2;\n } \n mult *= -1.0;\n }\n vec3 cr = normalize(cross(mvPosition.xyz,norm))*radius;\n vec3 doublecr = normalize(cross(mvPosition.xyz,cr))*radius;\n mvPosition.xyz += mult*(cr + doublecr).xyz;\n cposition = mvPosition.xyz;\n gl_Position = projectionMatrix * mvPosition;\n vec4 lDirection = viewMatrix * vec4( directionalLightDirection[ 0 ], 0.0 );\n vLight = normalize( lDirection.xyz )*directionalLightColor[0]; //not really sure this is right, but color is always white so..\n}\n\n".replace("#define GLSLIFY 1",""),uniforms:oe},ce={opacity:{type:"f",value:1},fogColor:{type:"c",value:new A.Color(1,1,1)},fogNear:{type:"f",value:1},fogFar:{type:"f",value:2e3},outlineColor:{type:"c",value:new A.Color(0,0,0)},outlineWidth:{type:"f",value:.1},outlinePushback:{type:"f",value:1}},de={fragmentShader:(le+"gl_FragColor = vec4(color,1.0);}").replace("#define GLSLIFY 1",""),vertexShader:"\n\nuniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform mat4 viewMatrix;\nuniform mat3 normalMatrix;\nuniform vec3 directionalLightColor[ 1 ];\nuniform vec3 directionalLightDirection[ 1 ];\nuniform vec3 outlineColor;\nuniform float outlineWidth;\nuniform float outlinePushback;\n\n\nattribute vec3 position;\nattribute vec3 normal;\nattribute vec3 color;\nattribute float radius;\n\nvarying vec3 vColor;\nvarying vec3 vLight;\nvarying vec3 cposition;\nvarying vec3 p1;\nvarying vec3 p2;\nvarying float r;\n\nvoid main() {\n\n vColor = outlineColor;\n float rad = radius+sign(radius)*outlineWidth;\n r = abs(rad);\n vec4 to = modelViewMatrix*vec4(normal, 1.0); //normal is other point of cylinder\n vec4 pt = modelViewMatrix*vec4(position, 1.0);\n//pushback\n to.xyz += normalize(to.xyz)*outlinePushback;\n pt.xyz += normalize(pt.xyz)*outlinePushback;\n\n vec4 mvPosition = pt;\n p1 = pt.xyz; p2 = to.xyz;\n vec3 norm = to.xyz-pt.xyz;\n float mult = 1.1; //slop to account for perspective of sphere\n if(length(p1) > length(p2)) { //billboard at level of closest point\n mvPosition = to;\n }\n vec3 n = normalize(mvPosition.xyz);\n//intersect with the plane defined by the camera looking at the billboard point\n if(color.z >= 0.0) { //p1\n vec3 pnorm = normalize(p1);\n float t = dot(mvPosition.xyz-p1,n)/dot(pnorm,n);\n mvPosition.xyz = p1+t*pnorm;\n } else {\n vec3 pnorm = normalize(p2);\n float t = dot(mvPosition.xyz-p2,n)/dot(pnorm,n);\n mvPosition.xyz = p2+t*pnorm;\n mult *= -1.0;\n }\n vec3 cr = normalize(cross(mvPosition.xyz,norm))*rad;\n vec3 doublecr = normalize(cross(mvPosition.xyz,cr))*rad;\n mvPosition.xy += mult*(cr + doublecr).xy;\n cposition = mvPosition.xyz;\n gl_Position = projectionMatrix * mvPosition;\n vLight = vec3(1.0,1.0,1.0);\n}\n\n".replace("#define GLSLIFY 1",""),uniforms:ce},ue={opacity:{type:"f",value:1},fogColor:{type:"c",value:new A.Color(1,1,1)},fogNear:{type:"f",value:1},fogFar:{type:"f",value:2e3},data:{type:"i",value:3},colormap:{type:"i",value:4},depthmap:{type:"i",value:5},step:{type:"f",value:1},maxdepth:{type:"f",value:100},subsamples:{type:"f",value:5},textmat:{type:"mat4",value:[]},projinv:{type:"mat4",value:[]},transfermin:{type:"f",value:-.2},transfermax:{type:"f",value:.2}},fe={fragmentShader:"\nuniform highp sampler3D data;\nuniform highp sampler2D colormap;\nuniform highp sampler2D depthmap;\n\n\nuniform mat4 textmat;\nuniform mat4 projinv;\nuniform mat4 projectionMatrix;\n\nuniform float step;\nuniform float subsamples;\nuniform float maxdepth;\nuniform float transfermin;\nuniform float transfermax;\nin vec4 mvPosition;\nout vec4 color;\nvoid main(void) {\n\n vec4 pos = mvPosition;\n bool seengood = false;\n float i = 0.0;\n color = vec4(1,1,1,0);\n float increment = 1.0/subsamples;\n float maxsteps = (maxdepth*subsamples/step);\n//there's probably a better way to do this..\n//calculate farthest possible point in model coordinates\n vec4 maxpos = vec4(pos.x,pos.y,pos.z-maxdepth,1.0);\n// convert to projection\n maxpos = projectionMatrix*maxpos;\n vec4 startp = projectionMatrix*pos;\n// homogonize\n maxpos /= maxpos.w;\n startp /= startp.w;\n//take x,y from start and z from max\n maxpos = vec4(startp.x,startp.y,maxpos.z,1.0);\n//convert back to model space\n maxpos = projinv*maxpos;\n maxpos /= maxpos.w;\n float incr = step/subsamples;\n//get depth from depthmap\n//startp is apparently [-1,1]\n vec2 tpos = startp.xy/2.0+0.5;\n float depth = texture(depthmap, tpos).r;\n//compute vector between start and end\n vec4 direction = maxpos-pos;\n for( i = 0.0; i <= maxsteps; i++) {\n vec4 pt = (pos+(i/maxsteps)*direction);\n vec4 ppt = projectionMatrix*pt;\n float ptdepth = ppt.z/ppt.w;\n ptdepth = ((gl_DepthRange.diff * ptdepth) + gl_DepthRange.near + gl_DepthRange.far) / 2.0;\n if(ptdepth > depth) break;\n pt = textmat*pt;\n// pt /= pt.w;\n if(pt.x >= -0.01 && pt.y >= -0.01 && pt.z >= -0.01 && pt.x <= 1.01 && pt.y <= 1.01 && pt.z <= 1.01) {\n seengood = true;\n } else if(seengood) {\n break;\n }\n if( pt.x < -0.01 || pt.x > 1.01 || pt.y < -0.01 || pt.y > 1.01 || pt.z < -0.01 || pt.z > 1.01 ){\n color.a = 0.0;\n continue;\n }\n else {\n float val = texture(data, pt.zyx).r;\n if(isinf(val)) continue; //masked out\n float cval = (val-transfermin)/(transfermax-transfermin); //scale to texture 0-1 range\n vec4 val_color = texture(colormap, vec2(cval,0.5));\n color.rgb = color.rgb*color.a + (1.0-color.a)*val_color.a*val_color.rgb;\n color.a += (1.0 - color.a) * val_color.a; \n if(color.a > 0.0) color.rgb /= color.a;\n// color = vec4(pt.x, pt.y, pt.z, 1.0);\n }\n// color = vec4(pt.x, pt.y, pt.z, 0.0)\n }\n}\n\n ".replace("#define GLSLIFY 1",""),vertexShader:"uniform mat4 modelViewMatrix;\nuniform mat4 projectionMatrix;\nuniform mat4 viewMatrix;\n\nin vec3 position;\nout vec4 mvPosition;\nvoid main() {\n\n mvPosition = modelViewMatrix * vec4( position, 1.0 );\n gl_Position = projectionMatrix*mvPosition;\n}\n".replace("#define GLSLIFY 1",""),uniforms:ue},pe={basic:W,instanced:Y,lambert:X,lambertdouble:$,outline:J,screen:ee,screenaa:te,sphereimposter:ie,sphereimposteroutline:ae,sprite:ne,stickimposter:he,stickimposteroutline:de,volumetric:fe};function me(e){let t={};for(const s in e){t[s]={},t[s].type=e[s].type;var r=e[s].value;r instanceof A.Color?t[s].value=r.clone():"number"==typeof r?t[s].value=r:r instanceof Array?t[s].value=[]:console.error("Error copying shader uniforms from ShaderLib: unknown type for uniform")}return t}const ge={clone:me,stickimposterFragmentShader:le};class Camera extends Object3D{constructor(e=50,t=1,r=.1,s=2e3,a=!1){super(),this.projectionMatrix=new h.Matrix4,this.projectionMatrixInverse=new h.Matrix4,this.matrixWorldInverse=new h.Matrix4,this.fov=e,this.aspect=t,this.near=r,this.far=s;var n=this.position.z;this.right=n*Math.tan(Math.PI/180*e),this.left=-this.right,this.top=this.right/this.aspect,this.bottom=-this.top,this.ortho=!!a,this.updateProjectionMatrix()}lookAt(e){this.matrix.lookAt(this.position,e,this.up),this.rotationAutoUpdate&&(!1===this.useQuaternion&&this.rotation instanceof h.Vector3?this.rotation.setEulerFromRotationMatrix(this.matrix,this.eulerOrder):console.error("Unimplemented math operation."))}updateProjectionMatrix(){this.ortho?this.projectionMatrix.makeOrthographic(this.left,this.right,this.top,this.bottom,this.near,this.far):this.projectionMatrix.makePerspective(this.fov,this.aspect,this.near,this.far),this.projectionMatrixInverse.getInverse(this.projectionMatrix)}}class Fog{constructor(e,t=1,r=1e3){this.name="",this.color=new A.Color(e),this.near=t,this.far=r}clone(){return new Fog(this.color.getHex(),this.near,this.far)}}class SpritePlugin{constructor(){this.sprite={vertices:null,faces:null,vertexBuffer:null,elementBuffer:null,program:null,attributes:{},uniforms:null}}init(e){this.gl=e.context,this.renderer=e,this.precision=e.getPrecision(),this.sprite.vertices=new Float32Array(16),this.sprite.faces=new Uint16Array(6);var t=0;this.sprite.vertices[t++]=-1,this.sprite.vertices[t++]=-1,this.sprite.vertices[t++]=0,this.sprite.vertices[t++]=0,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=-1,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=0,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=-1,this.sprite.vertices[t++]=1,this.sprite.vertices[t++]=0,this.sprite.vertices[t++]=1,t=0,this.sprite.faces[t++]=0,this.sprite.faces[t++]=1,this.sprite.faces[t++]=2,this.sprite.faces[t++]=0,this.sprite.faces[t++]=2,this.sprite.faces[t++]=3,this.sprite.vertexBuffer=this.gl.createBuffer(),this.sprite.elementBuffer=this.gl.createBuffer(),this.gl.bindBuffer(this.gl.ARRAY_BUFFER,this.sprite.vertexBuffer),this.gl.bufferData(this.gl.ARRAY_BUFFER,this.sprite.vertices,this.gl.STATIC_DRAW),this.gl.bindBuffer(this.gl.ELEMENT_ARRAY_BUFFER,this.sprite.elementBuffer),this.gl.bufferData(this.gl.ELEMENT_ARRAY_BUFFER,this.sprite.faces,this.gl.STATIC_DRAW),this.sprite.program=this.createProgram(pe.sprite,this.precision||1),this.sprite.attributes={};const r={};this.sprite.attributes.position=this.gl.getAttribLocation(this.sprite.program,"position"),this.sprite.attributes.uv=this.gl.getAttribLocation(this.sprite.program,"uv"),r.uvOffset=this.gl.getUniformLocation(this.sprite.program,"uvOffset"),r.uvScale=this.gl.getUniformLocation(this.sprite.program,"uvScale"),r.rotation=this.gl.getUniformLocation(this.sprite.program,"rotation"),r.scale=this.gl.getUniformLocation(this.sprite.program,"scale"),r.alignment=this.gl.getUniformLocation(this.sprite.program,"alignment"),r.color=this.gl.getUniformLocation(this.sprite.program,"color"),r.map=this.gl.getUniformLocation(this.sprite.program,"map"),r.opacity=this.gl.getUniformLocation(this.sprite.program,"opacity"),r.useScreenCoordinates=this.gl.getUniformLocation(this.sprite.program,"useScreenCoordinates"),r.screenPosition=this.gl.getUniformLocation(this.sprite.program,"screenPosition"),r.modelViewMatrix=this.gl.getUniformLocation(this.sprite.program,"modelViewMatrix"),r.projectionMatrix=this.gl.getUniformLocation(this.sprite.program,"projectionMatrix"),r.fogType=this.gl.getUniformLocation(this.sprite.program,"fogType"),r.fogDensity=this.gl.getUniformLocation(this.sprite.program,"fogDensity"),r.fogNear=this.gl.getUniformLocation(this.sprite.program,"fogNear"),r.fogFar=this.gl.getUniformLocation(this.sprite.program,"fogFar"),r.fogColor=this.gl.getUniformLocation(this.sprite.program,"fogColor"),r.alphaTest=this.gl.getUniformLocation(this.sprite.program,"alphaTest"),this.sprite.uniforms=r}render(e,t,r,s,a){var n,o,l,h,c,u,f,p,g,v;if(!this.gl)throw new Error("WebGLRenderer not initialized");let _=[];null===(n=null==e?void 0:e.__webglSprites)||void 0===n||n.forEach((e=>{(a&&0==e.material.depthTest||!a&&e.material.depthTest)&&_.push(e)}));let y=_.length;if(!y)return;const b=this.sprite.attributes,w=this.sprite.uniforms;if(!w)throw new Error("Uniforms not defined");var x=.5*r,A=.5*s;this.gl.useProgram(this.sprite.program),this.gl.enableVertexAttribArray(b.position),this.gl.enableVertexAttribArray(b.uv),this.gl.disable(this.gl.CULL_FACE),this.gl.enable(this.gl.BLEND),this.gl.bindBuffer(this.gl.ARRAY_BUFFER,this.sprite.vertexBuffer),this.gl.vertexAttribPointer(b.position,2,this.gl.FLOAT,!1,16,0),this.gl.vertexAttribPointer(b.uv,2,this.gl.FLOAT,!1,16,8),this.gl.bindBuffer(this.gl.ELEMENT_ARRAY_BUFFER,this.sprite.elementBuffer),this.gl.uniformMatrix4fv(w.projectionMatrix,!1,t.projectionMatrix.elements),this.gl.activeTexture(this.gl.TEXTURE0),this.gl.uniform1i(w.map,0);var C,S=0,M=0,z=e.fog;let L,E,T,k;z?(this.gl.uniform3f(w.fogColor,z.color.r,z.color.g,z.color.b),this.gl.uniform1f(w.fogNear,z.near),this.gl.uniform1f(w.fogFar,z.far),this.gl.uniform1i(w.fogType,1),S=1,M=1):(this.gl.uniform1i(w.fogType,0),S=0,M=0);let I=[];for(C=0;C=0&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglVertexBuffer),this.enableAttribute(l.position),this._gl.vertexAttribPointer(l.position,3,this._gl.FLOAT,!1,0,0)),l.color>=0&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglColorBuffer),this.enableAttribute(l.color),this._gl.vertexAttribPointer(l.color,3,this._gl.FLOAT,!1,0,0)),l.normal>=0&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglNormalBuffer),this.enableAttribute(l.normal),this._gl.vertexAttribPointer(l.normal,3,this._gl.FLOAT,!1,0,0)),l.offset>=0&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglOffsetBuffer),this.enableAttribute(l.offset),this._gl.vertexAttribPointer(l.offset,3,this._gl.FLOAT,!1,0,0)),l.radius>=0&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglRadiusBuffer),this.enableAttribute(l.radius),this._gl.vertexAttribPointer(l.radius,1,this._gl.FLOAT,!1,0,0))),n instanceof Mesh){if("instanced"===s.shaderID){var g=s.sphere.geometryGroups[0];u&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglVertexBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,g.vertexArray,this._gl.STATIC_DRAW),this._gl.bindBuffer(this._gl.ARRAY_BUFFER,a.__webglNormalBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,g.normalArray,this._gl.STATIC_DRAW),this._gl.bindBuffer(this._gl.ELEMENT_ARRAY_BUFFER,a.__webglFaceBuffer),this._gl.bufferData(this._gl.ELEMENT_ARRAY_BUFFER,g.faceArray,this._gl.STATIC_DRAW)),h=g.faceidx,this._extInstanced.vertexAttribDivisorANGLE(l.offset,1),this._extInstanced.vertexAttribDivisorANGLE(l.radius,1),this._extInstanced.vertexAttribDivisorANGLE(l.color,1),this._extInstanced.drawElementsInstancedANGLE(this._gl.TRIANGLES,h,this._gl.UNSIGNED_SHORT,0,a.radiusArray.length),this._extInstanced.vertexAttribDivisorANGLE(l.offset,0),this._extInstanced.vertexAttribDivisorANGLE(l.radius,0),this._extInstanced.vertexAttribDivisorANGLE(l.color,0)}else s.wireframe?(c=a.lineidx,this.setLineWidth(s.wireframeLinewidth),u&&this._gl.bindBuffer(this._gl.ELEMENT_ARRAY_BUFFER,a.__webglLineBuffer),this._gl.drawElements(this._gl.LINES,c,this._gl.UNSIGNED_SHORT,0)):(h=a.faceidx,u&&this._gl.bindBuffer(this._gl.ELEMENT_ARRAY_BUFFER,a.__webglFaceBuffer),this._gl.drawElements(this._gl.TRIANGLES,h,this._gl.UNSIGNED_SHORT,0));this.info.render.calls++,this.info.render.vertices+=h,this.info.render.faces+=h/3}else n instanceof Line&&(c=a.vertices,this.setLineWidth(s.linewidth),this._gl.drawArrays(this._gl.LINES,0,c),this.info.render.calls++)}}render(e,t,r){if(t instanceof Camera!=!1){var s,a,n,o,l,h=e.__lights,c=e.fog;this._currentMaterialId=-1,this._lightsNeedUpdate=!0,this.autoUpdateScene&&e.updateMatrixWorld(),void 0===t.parent&&t.updateMatrixWorld(),t.matrixWorldInverse.getInverse(t.matrixWorld),this._projScreenMatrix.multiplyMatrices(t.projectionMatrix,t.matrixWorldInverse),this.autoUpdateObjects&&this.initWebGLObjects(e),this.info.render.calls=0,this.info.render.vertices=0,this.info.render.faces=0,this.info.render.points=0,this._currentWidth=this._viewportWidth,this._currentHeight=this._viewportHeight,this.setViewport(),this.setFrameBuffer(),(this.autoClear||r)&&(this._gl.clearColor(this._clearColor.r,this._clearColor.g,this._clearColor.b,this._clearAlpha),this.clear(this.autoClearColor,this.autoClearDepth,this.autoClearStencil));var u=!1;for(s=0,a=(l=e.__webglObjects).length;s=0;--r)e[r].object===t&&e.splice(r,1)}removeInstancesDirect(e,t){for(var r=e.length-1;r>=0;--r)e[r]===t&&e.splice(r,1)}unrollBufferMaterial(e){var t=e.object.material;if(t.volumetric)e.opaque=null,e.transparent=null,e.volumetric=t;else if(t.transparent){if(e.opaque=null,e.volumetric=null,e.transparent=t,!t.wireframe){var r=t.clone();r.opacity=0,e.blank=r}}else e.opaque=t,e.transparent=null,e.volumetric=null}setBuffers(e,t){var r=e.vertexArray,s=e.colorArray;if(void 0!==e.__webglOffsetBuffer?(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,e.__webglOffsetBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,r,t)):(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,e.__webglVertexBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,r,t)),this._gl.bindBuffer(this._gl.ARRAY_BUFFER,e.__webglColorBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,s,t),e.normalArray&&void 0!==e.__webglNormalBuffer){var a=e.normalArray;this._gl.bindBuffer(this._gl.ARRAY_BUFFER,e.__webglNormalBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,a,t)}if(e.radiusArray&&void 0!==e.__webglRadiusBuffer&&(this._gl.bindBuffer(this._gl.ARRAY_BUFFER,e.__webglRadiusBuffer),this._gl.bufferData(this._gl.ARRAY_BUFFER,e.radiusArray,t)),e.faceArray&&void 0!==e.__webglFaceBuffer){var n=e.faceArray;this._gl.bindBuffer(this._gl.ELEMENT_ARRAY_BUFFER,e.__webglFaceBuffer),this._gl.bufferData(this._gl.ELEMENT_ARRAY_BUFFER,n,t)}if(e.lineArray&&void 0!==e.__webglLineBuffer){var o=e.lineArray;this._gl.bindBuffer(this._gl.ELEMENT_ARRAY_BUFFER,e.__webglLineBuffer),this._gl.bufferData(this._gl.ELEMENT_ARRAY_BUFFER,o,t)}}createMeshBuffers(e){e.radiusArray&&(e.__webglRadiusBuffer=this._gl.createBuffer()),e.useOffset&&(e.__webglOffsetBuffer=this._gl.createBuffer()),e.__webglVertexBuffer=this._gl.createBuffer(),e.__webglNormalBuffer=this._gl.createBuffer(),e.__webglColorBuffer=this._gl.createBuffer(),e.__webglFaceBuffer=this._gl.createBuffer(),e.__webglLineBuffer=this._gl.createBuffer(),this.info.memory.geometries++}createLineBuffers(e){e.__webglVertexBuffer=this._gl.createBuffer(),e.__webglColorBuffer=this._gl.createBuffer(),this.info.memory.geometries++}addBuffer(e,t,r){e.push({buffer:t,object:r,opaque:null,transparent:null})}setupMatrices(e,t){e._modelViewMatrix.multiplyMatrices(t.matrixWorldInverse,e.matrixWorld),e._normalMatrix.getInverse(e._modelViewMatrix),e._normalMatrix.transpose()}filterFallback(e){return this._gl.LINEAR}setTextureParameters(e,t){e==this._gl.TEXTURE_2D?(this._gl.texParameteri(e,this._gl.TEXTURE_WRAP_S,this._gl.CLAMP_TO_EDGE),this._gl.texParameteri(e,this._gl.TEXTURE_WRAP_T,this._gl.CLAMP_TO_EDGE),this._gl.texParameteri(e,this._gl.TEXTURE_MAG_FILTER,this.filterFallback(t.magFilter)),this._gl.texParameteri(e,this._gl.TEXTURE_MIN_FILTER,this.filterFallback(t.minFilter))):(this._gl.texParameteri(e,this._gl.TEXTURE_WRAP_S,this._gl.CLAMP_TO_EDGE),this._gl.texParameteri(e,this._gl.TEXTURE_WRAP_T,this._gl.CLAMP_TO_EDGE),this._gl.texParameteri(e,this._gl.TEXTURE_WRAP_R,this._gl.CLAMP_TO_EDGE),this._extColorBufferFloat&&this._extFloatLinear?(this._gl.texParameteri(e,this._gl.TEXTURE_MAG_FILTER,this._gl.LINEAR),this._gl.texParameteri(e,this._gl.TEXTURE_MIN_FILTER,this._gl.LINEAR)):(this._gl.texParameteri(e,this._gl.TEXTURE_MAG_FILTER,this._gl.NEAREST),this._gl.texParameteri(e,this._gl.TEXTURE_MIN_FILTER,this._gl.NEAREST)))}paramToGL(e){return e===v?this._gl.UNSIGNED_BYTE:e===y?this._gl.RGBA:e===p?this._gl.NEAREST:0}setupLights(e,t){var r,s,a,n,o,l=this._lights,h=l.directional.colors,c=l.directional.positions,u=0,f=0;for(r=0,s=t.length;r{"use strict";r.r(t),r.d(t,{Matrix3:()=>Matrix3,Matrix4:()=>Matrix4,Quaternion:()=>Quaternion,Ray:()=>Ray,Vector2:()=>Vector2,Vector3:()=>Vector3,clamp:()=>s,conversionMatrix3:()=>f,degToRad:()=>n});class Quaternion{constructor(e,t,r,s){this.x=e||0,this.y=t||0,this.z=r||0,this.w=void 0!==s?s:1}set(e,t,r,s){return this.x=e,this.y=t,this.z=r,this.w=s,this}copy(e){return this.x=e.x,this.y=e.y,this.z=e.z,this.w=e.w,this}conjugate(){return this.x*=-1,this.y*=-1,this.z*=-1,this}inverse(){return this.conjugate().normalize()}length(){return Math.sqrt(this.x*this.x+this.y*this.y+this.z*this.z+this.w*this.w)}lengthxyz(){return Math.sqrt(this.x*this.x+this.y*this.y+this.z*this.z)}normalize(){let e=this.length();return 0===e?(this.x=0,this.y=0,this.z=0,this.w=1):(e=1/e,this.x*=e,this.y*=e,this.z*=e,this.w*=e),this}multiply(e){return this.multiplyQuaternions(this,e)}multiplyScalar(e){return this.x*=e,this.y*=e,this.z*=e,this.w*=e,this}multiplyQuaternions(e,t){const r=e.x,s=e.y,a=e.z,n=e.w,o=t.x,l=t.y,h=t.z,c=t.w;return this.x=r*c+n*o+s*h-a*l,this.y=s*c+n*l+a*o-r*h,this.z=a*c+n*h+r*l-s*o,this.w=n*c-r*o-s*l-a*h,this}sub(e){return this.x-=e.x,this.y-=e.y,this.z-=e.z,this.w-=e.w,this}clone(){return new Quaternion(this.x,this.y,this.z,this.w)}setFromEuler(e){const t=Math.cos(e.x/2),r=Math.cos(e.y/2),s=Math.cos(e.z/2),a=Math.sin(e.x/2),n=Math.sin(e.y/2),o=Math.sin(e.z/2);return this.x=a*r*s+t*n*o,this.y=t*n*s-a*r*o,this.z=t*r*o+a*n*s,this.w=t*r*s-a*n*o,this}}class Vector2{constructor(e,t){this.x=e||0,this.y=t||0}set(e,t){return this.x=e,this.y=t,this}subVectors(e,t){return this.x=e.x-t.x,this.y=e.y-t.y,this}copy(e){return this.x=e.x,this.y=e.y,this}clone(){return new Vector2(this.x,this.y)}}function s(e,t,r){return Math.min(Math.max(e,t),r)}const a=Math.PI/180;function n(e){return e*a}var o,l,h,c,u;class Matrix4{constructor(e=1,t=0,r=0,s=0,a=0,n=1,o=0,l=0,h=0,c=0,u=1,f=0,p=0,g=0,v=0,_=1){void 0!==e&&"number"!=typeof e?this.elements=new Float32Array(e):(this.elements=new Float32Array(16),this.elements[0]=e,this.elements[4]=t,this.elements[8]=r,this.elements[12]=s,this.elements[1]=a,this.elements[5]=n,this.elements[9]=o,this.elements[13]=l,this.elements[2]=h,this.elements[6]=c,this.elements[10]=u,this.elements[14]=f,this.elements[3]=p,this.elements[7]=g,this.elements[11]=v,this.elements[15]=_)}makeScale(e,t,r){throw new Error("Method not implemented.")}set(e,t,r,s,a,n,o,l,h,c,u,f,p,g,v,_){const y=this.elements;return y[0]=e,y[4]=t,y[8]=r,y[12]=s,y[1]=a,y[5]=n,y[9]=o,y[13]=l,y[2]=h,y[6]=c,y[10]=u,y[14]=f,y[3]=p,y[7]=g,y[11]=v,y[15]=_,this}identity(){return this.set(1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1),this}copy(e){const t=e.elements;return this.set(t[0],t[4],t[8],t[12],t[1],t[5],t[9],t[13],t[2],t[6],t[10],t[14],t[3],t[7],t[11],t[15]),this}matrix3FromTopLeft(){const e=this.elements;return new Matrix3(e[0],e[4],e[8],e[1],e[5],e[9],e[2],e[6],e[10])}setRotationFromEuler(e,t){const r=this.elements,{x:s,y:a,z:n}=e,o=Math.cos(s),l=Math.sin(s),h=Math.cos(a),c=Math.sin(a),u=Math.cos(n),f=Math.sin(n);if(void 0===t||"XYZ"===t){const e=o*u,t=o*f,s=l*u,a=l*f;r[0]=h*u,r[4]=-h*f,r[8]=c,r[1]=t+s*c,r[5]=e-a*c,r[9]=-l*h,r[2]=a-e*c,r[6]=s+t*c,r[10]=o*h}else console.error(`Error with matrix4 setRotationFromEuler. Order: ${t}`);return this}setRotationFromQuaternion(e){const t=this.elements,{x:r,y:s,z:a,w:n}=e,o=r+r,l=s+s,h=a+a,c=r*o,u=r*l,f=r*h,p=s*l,g=s*h,v=a*h,_=n*o,y=n*l,b=n*h;return t[0]=1-(p+v),t[4]=u-b,t[8]=f+y,t[1]=u+b,t[5]=1-(c+v),t[9]=g-_,t[2]=f-y,t[6]=g+_,t[10]=1-(c+p),this}multiplyMatrices(e,t){const r=e.elements,s=t.elements,a=this.elements,n=r[0],o=r[4],l=r[8],h=r[12],c=r[1],u=r[5],f=r[9],p=r[13],g=r[2],v=r[6],_=r[10],y=r[14],b=r[3],w=r[7],x=r[11],A=r[15],C=s[0],S=s[4],M=s[8],z=s[12],L=s[1],E=s[5],T=s[9],k=s[13],I=s[2],O=s[6],D=s[10],F=s[14],R=s[3],P=s[7],G=s[11],B=s[15];return a[0]=n*C+o*L+l*I+h*R,a[4]=n*S+o*E+l*O+h*P,a[8]=n*M+o*T+l*D+h*G,a[12]=n*z+o*k+l*F+h*B,a[1]=c*C+u*L+f*I+p*R,a[5]=c*S+u*E+f*O+p*P,a[9]=c*M+u*T+f*D+p*G,a[13]=c*z+u*k+f*F+p*B,a[2]=g*C+v*L+_*I+y*R,a[6]=g*S+v*E+_*O+y*P,a[10]=g*M+v*T+_*D+y*G,a[14]=g*z+v*k+_*F+y*B,a[3]=b*C+w*L+x*I+A*R,a[7]=b*S+w*E+x*O+A*P,a[11]=b*M+w*T+x*D+A*G,a[15]=b*z+w*k+x*F+A*B,this}multiplyScalar(e){const t=this.elements;return t[0]*=e,t[4]*=e,t[8]*=e,t[12]*=e,t[1]*=e,t[5]*=e,t[9]*=e,t[13]*=e,t[2]*=e,t[6]*=e,t[10]*=e,t[14]*=e,t[3]*=e,t[7]*=e,t[11]*=e,t[15]*=e,this}makeTranslation(e,t,r){return this.set(1,0,0,e,0,1,0,t,0,0,1,r,0,0,0,1),this}snap(e){e||(e=4);const t=Math.pow(10,4),r=this.elements;for(let e=0;e<16;e++){const s=Math.round(r[e]);s===Math.round(r[e]*t)/t&&(r[e]=s)}return this}transpose(){const e=this.elements;let t;return t=e[1],e[1]=e[4],e[4]=t,t=e[2],e[2]=e[8],e[8]=t,t=e[6],e[6]=e[9],e[9]=t,t=e[3],e[3]=e[12],e[12]=t,t=e[7],e[7]=e[13],e[13]=t,t=e[11],e[11]=e[14],e[14]=t,this}setPosition(e){const t=this.elements;return t[12]=e.x,t[13]=e.y,t[14]=e.z,this}translate(e){const t=this.elements;return t[12]+=e.x,t[13]+=e.y,t[14]+=e.z,this}getInverse(e,t){const r=this.elements,s=e.elements,a=s[0],n=s[4],o=s[8],l=s[12],h=s[1],c=s[5],u=s[9],f=s[13],p=s[2],g=s[6],v=s[10],_=s[14],y=s[3],b=s[7],w=s[11],x=s[15];r[0]=u*_*b-f*v*b+f*g*w-c*_*w-u*g*x+c*v*x,r[4]=l*v*b-o*_*b-l*g*w+n*_*w+o*g*x-n*v*x,r[8]=o*f*b-l*u*b+l*c*w-n*f*w-o*c*x+n*u*x,r[12]=l*u*g-o*f*g-l*c*v+n*f*v+o*c*_-n*u*_,r[1]=f*v*y-u*_*y-f*p*w+h*_*w+u*p*x-h*v*x,r[5]=o*_*y-l*v*y+l*p*w-a*_*w-o*p*x+a*v*x,r[9]=l*u*y-o*f*y-l*h*w+a*f*w+o*h*x-a*u*x,r[13]=o*f*p-l*u*p+l*h*v-a*f*v-o*h*_+a*u*_,r[2]=c*_*y-f*g*y+f*p*b-h*_*b-c*p*x+h*g*x,r[6]=l*g*y-n*_*y-l*p*b+a*_*b+n*p*x-a*g*x,r[10]=n*f*y-l*c*y+l*h*b-a*f*b-n*h*x+a*c*x,r[14]=l*c*p-n*f*p-l*h*g+a*f*g+n*h*_-a*c*_,r[3]=u*g*y-c*v*y-u*p*b+h*v*b+c*p*w-h*g*w,r[7]=n*v*y-o*g*y+o*p*b-a*v*b-n*p*w+a*g*w,r[11]=o*c*y-n*u*y-o*h*b+a*u*b+n*h*w-a*c*w,r[15]=n*u*p-o*c*p+o*h*g-a*u*g-n*h*v+a*c*v;const A=a*r[0]+h*r[4]+p*r[8]+y*r[12];if(0===A){const e="Matrix4.getInverse(): can't invert matrix, determinant is 0";if(t)throw new Error(e);return console.warn(e),this.identity(),this}return this.multiplyScalar(1/A),this}isReflected(){const e=this.elements,t=e[0],r=e[4],s=e[8],a=e[1],n=e[5],o=e[9],l=e[2],h=e[6],c=e[10];return t*n*c+a*h*s+l*r*o-l*n*s-a*r*c-t*h*o<0}scale(e){const t=this.elements,{x:r}=e,{y:s}=e,{z:a}=e;return t[0]*=r,t[4]*=s,t[8]*=a,t[1]*=r,t[5]*=s,t[9]*=a,t[2]*=r,t[6]*=s,t[10]*=a,t[3]*=r,t[7]*=s,t[11]*=a,this}getMaxScaleOnAxis(){const e=this.elements,t=e[0]*e[0]+e[1]*e[1]+e[2]*e[2],r=e[4]*e[4]+e[5]*e[5]+e[6]*e[6],s=e[8]*e[8]+e[9]*e[9]+e[10]*e[10];return Math.sqrt(Math.max(t,Math.max(r,s)))}makeFrustum(e,t,r,s,a,n){const o=this.elements,l=2*a/(t-e),h=2*a/(s-r),c=(t+e)/(t-e),u=(s+r)/(s-r),f=-(n+a)/(n-a),p=-2*n*a/(n-a);return o[0]=l,o[4]=0,o[8]=c,o[12]=0,o[1]=0,o[5]=h,o[9]=u,o[13]=0,o[2]=0,o[6]=0,o[10]=f,o[14]=p,o[3]=0,o[7]=0,o[11]=-1,o[15]=0,this}makePerspective(e,t,r,s){const a=r*Math.tan(n(.5*e)),o=-a,l=o*t,h=a*t;return this.makeFrustum(l,h,o,a,r,s)}makeOrthographic(e,t,r,s,a,n){const o=this.elements,l=1/(t-e),h=1/(r-s),c=1/(n-a),u=(t+e)*l,f=(r+s)*h,p=(n+a)*c;return o[0]=2*l,o[4]=0,o[8]=0,o[12]=-u,o[1]=0,o[5]=2*h,o[9]=0,o[13]=-f,o[2]=0,o[6]=0,o[10]=-2*c,o[14]=-p,o[3]=0,o[7]=0,o[11]=0,o[15]=1,this}isEqual(e){const t=e.elements,r=this.elements;return r[0]===t[0]&&r[4]===t[4]&&r[8]===t[8]&&r[12]===t[12]&&r[1]===t[1]&&r[5]===t[5]&&r[9]===t[9]&&r[13]===t[13]&&r[2]===t[2]&&r[6]===t[6]&&r[10]===t[10]&&r[14]===t[14]&&r[3]===t[3]&&r[7]===t[7]&&r[11]===t[11]&&r[15]===t[15]}clone(){const e=this.elements;return new Matrix4(e[0],e[4],e[8],e[12],e[1],e[5],e[9],e[13],e[2],e[6],e[10],e[14],e[3],e[7],e[11],e[15])}isIdentity(){const e=this.elements;return 1===e[0]&&0===e[4]&&0===e[8]&&0===e[12]&&0===e[1]&&1===e[5]&&0===e[9]&&0===e[13]&&0===e[2]&&0===e[6]&&1===e[10]&&0===e[14]&&0===e[3]&&0===e[7]&&0===e[11]&&1===e[15]}isNearlyIdentity(e){return this.clone().snap(e).isIdentity()}getScale(e){const t=this.elements;return e=e||new Vector3,h.set(t[0],t[1],t[2]),c.set(t[4],t[5],t[6]),u.set(t[8],t[9],t[10]),e.x=h.length(),e.y=c.length(),e.z=u.length(),e}lookAt(e,t,r){const s=this.elements;return u.subVectors(e,t).normalize(),0===u.length()&&(u.z=1),h.crossVectors(r,u).normalize(),0===h.length()&&(u.x+=1e-4,h.crossVectors(r,u).normalize()),c.crossVectors(u,h),s[0]=h.x,s[4]=c.x,s[8]=u.x,s[1]=h.y,s[5]=c.y,s[9]=u.y,s[2]=h.z,s[6]=c.z,s[10]=u.z,this}compose(e,t,r){const s=this.elements;return o.identity(),o.setRotationFromQuaternion(t),l.makeScale(r.x,r.y,r.z),this.multiplyMatrices(o,l),s[12]=e.x,s[13]=e.y,s[14]=e.z,this}}o=new Matrix4,l=new Matrix4;class Vector3{constructor(e,t,r){this.x=e||0,this.y=t||0,this.z=r||0,this.atomid=void 0}set(e,t,r){return this.x=e,this.y=t,this.z=r,this}copy(e){return this.x=e.x,this.y=e.y,this.z=e.z,this}add(e){return this.x+=e.x,this.y+=e.y,this.z+=e.z,this}addVectors(e,t){return this.x=e.x+t.x,this.y=e.y+t.y,this.z=e.z+t.z,this}multiplyVectors(e,t){return this.x=e.x*t.x,this.y=e.y*t.y,this.z=e.z*t.z,this}sub(e){return this.x-=e.x,this.y-=e.y,this.z-=e.z,this}subVectors(e,t){return this.x=e.x-t.x,this.y=e.y-t.y,this.z=e.z-t.z,this}multiplyScalar(e){return this.x*=e,this.y*=e,this.z*=e,this}divideScalar(e){return 0!==e?(this.x/=e,this.y/=e,this.z/=e):(this.x=0,this.y=0,this.z=0),this}max(e){return this.x=Math.max(this.x,e.x),this.y=Math.max(this.y,e.y),this.z=Math.max(this.z,e.z),this}min(e){return this.x=Math.min(this.x,e.x),this.y=Math.min(this.y,e.y),this.z=Math.min(this.z,e.z),this}distanceTo(e){return Math.sqrt(this.distanceToSquared(e))}distanceToSquared(e){const t=this.x-e.x,r=this.y-e.y,s=this.z-e.z;return t*t+r*r+s*s}applyMatrix3(e){const{x:t}=this,{y:r}=this,{z:s}=this,a=e.elements;return this.x=a[0]*t+a[3]*r+a[6]*s,this.y=a[1]*t+a[4]*r+a[7]*s,this.z=a[2]*t+a[5]*r+a[8]*s,this}applyMatrix4(e){const{x:t}=this,{y:r}=this,{z:s}=this,a=e.elements;return this.x=a[0]*t+a[4]*r+a[8]*s+a[12],this.y=a[1]*t+a[5]*r+a[9]*s+a[13],this.z=a[2]*t+a[6]*r+a[10]*s+a[14],this}applyProjection(e){const{x:t}=this,{y:r}=this,{z:s}=this,a=e.elements,n=a[3]*t+a[7]*r+a[11]*s+a[15];return this.x=(a[0]*t+a[4]*r+a[8]*s+a[12])/n,this.y=(a[1]*t+a[5]*r+a[9]*s+a[13])/n,this.z=(a[2]*t+a[6]*r+a[10]*s+a[14])/n,this}applyQuaternion(e){const{x:t}=this,{y:r}=this,{z:s}=this,a=e.x,n=e.y,o=e.z,l=e.w,h={};h.x=2*(r*o-s*n),h.y=2*(s*a-t*o),h.z=2*(t*n-r*a);const c={};return c.x=h.y*o-h.z*n,c.y=h.z*a-h.x*o,c.z=h.x*n-h.y*a,this.x=t+l*h.x+c.x,this.y=r+l*h.y+c.y,this.z=s+l*h.z+c.z,this}negate(){return this.multiplyScalar(-1)}dot(e){return this.x*e.x+this.y*e.y+this.z*e.z}length(){return Math.sqrt(this.x*this.x+this.y*this.y+this.z*this.z)}lengthSq(){return this.x*this.x+this.y*this.y+this.z*this.z}normalize(){return this.divideScalar(this.length())}cross(e){const{x:t}=this,{y:r}=this,{z:s}=this;return this.x=r*e.z-s*e.y,this.y=s*e.x-t*e.z,this.z=t*e.y-r*e.x,this}crossVectors(e,t){return this.x=e.y*t.z-e.z*t.y,this.y=e.z*t.x-e.x*t.z,this.z=e.x*t.y-e.y*t.x,this}equals(e){return this.x==e.x&&this.y==e.y&&this.z==e.z}getPositionFromMatrix(e){return this.x=e.elements[12],this.y=e.elements[13],this.z=e.elements[14],this}setEulerFromRotationMatrix(e,t){const r=e.elements,a=r[0],n=r[4],o=r[8],l=r[5],h=r[9],c=r[6],u=r[10];return void 0===t||"XYZ"===t?(this.y=Math.asin(s(o,-1,1)),Math.abs(o)<.99999?(this.x=Math.atan2(-h,u),this.z=Math.atan2(-n,a)):(this.x=Math.atan2(c,l),this.z=0)):console.error(`Error with vector's setEulerFromRotationMatrix: Unknown order: ${t}`),this}rotateAboutVector(e,t){e.normalize();const r=Math.cos(t),s=Math.sin(t),a=this.clone().multiplyScalar(r),n=e.clone().cross(this).multiplyScalar(s),o=e.clone().multiplyScalar(e.clone().dot(this)).multiplyScalar(1-r),l=a.add(n).add(o);return this.x=l.x,this.y=l.y,this.z=l.z,this}setFromMatrixPosition(e){const t=e.elements;return this.x=t[12],this.y=t[13],this.z=t[14],this}transformDirection(e){const{x:t}=this,{y:r}=this,{z:s}=this,a=e.elements;return this.x=a[0]*t+a[4]*r+a[8]*s,this.y=a[1]*t+a[5]*r+a[9]*s,this.z=a[2]*t+a[6]*r+a[10]*s,this.normalize()}clone(){return new Vector3(this.x,this.y,this.z)}unproject(e){const t=o;return t.multiplyMatrices(e.matrixWorld,t.getInverse(e.projectionMatrix)),this.applyMatrix4(t)}}h=new Vector3,c=new Vector3,u=new Vector3;class Matrix3{constructor(e=1,t=0,r=0,s=0,a=1,n=0,o=0,l=0,h=1){this.elements=new Float32Array(9),this.set(e,t,r,s,a,n,o,l,h)}set(e,t,r,s,a,n,o,l,h){const c=this.elements;return c[0]=e,c[3]=t,c[6]=r,c[1]=s,c[4]=a,c[7]=n,c[2]=o,c[5]=l,c[8]=h,this}identity(){return this.set(1,0,0,0,1,0,0,0,1),this}copy(e){const t=e.elements;this.set(t[0],t[3],t[6],t[1],t[4],t[7],t[2],t[5],t[8])}multiplyScalar(e){const t=this.elements;return t[0]*=e,t[3]*=e,t[6]*=e,t[1]*=e,t[4]*=e,t[7]*=e,t[2]*=e,t[5]*=e,t[8]*=e,this}getInverse3(e){const t=e.elements,r=this.elements;r[0]=t[4]*t[8]-t[5]*t[7],r[3]=t[6]*t[5]-t[3]*t[8],r[6]=t[3]*t[7]-t[6]*t[4],r[1]=t[7]*t[2]-t[1]*t[8],r[4]=t[0]*t[8]-t[6]*t[2],r[7]=t[1]*t[6]-t[0]*t[7],r[2]=t[1]*t[5]-t[2]*t[4],r[5]=t[2]*t[3]-t[0]*t[5],r[8]=t[0]*t[4]-t[1]*t[3];const s=t[0]*r[0]+t[3]*r[1]+t[6]*r[2];return this.multiplyScalar(1/s),this}getInverse(e,t){const r=e.elements,s=this.elements;s[0]=r[10]*r[5]-r[6]*r[9],s[1]=-r[10]*r[1]+r[2]*r[9],s[2]=r[6]*r[1]-r[2]*r[5],s[3]=-r[10]*r[4]+r[6]*r[8],s[4]=r[10]*r[0]-r[2]*r[8],s[5]=-r[6]*r[0]+r[2]*r[4],s[6]=r[9]*r[4]-r[5]*r[8],s[7]=-r[9]*r[0]+r[1]*r[8],s[8]=r[5]*r[0]-r[1]*r[4];const a=r[0]*s[0]+r[1]*s[3]+r[2]*s[6];if(0===a){const e="Matrix3.getInverse(): can't invert matrix, determinant is 0";if(t)throw new Error(e);return console.warn(e),this.identity(),this}return this.multiplyScalar(1/a),this}getDeterminant(){const e=this.elements;return e[0]*e[4]*e[8]+e[1]*e[5]*e[6]+e[2]*e[3]*e[7]-e[2]*e[4]*e[6]-e[1]*e[3]*e[8]-e[0]*e[5]*e[7]}transpose(){let e;const t=this.elements;return e=t[1],t[1]=t[3],t[3]=e,e=t[2],t[2]=t[6],t[6]=e,e=t[5],t[5]=t[7],t[7]=e,this}clone(){const e=this.elements;return new Matrix3(e[0],e[3],e[6],e[1],e[4],e[7],e[2],e[5],e[8])}getMatrix4(){const e=this.elements;return new Matrix4(e[0],e[3],e[6],0,e[1],e[4],e[7],0,e[2],e[5],e[8],0)}}class Ray{constructor(e,t){this.origin=void 0!==e?e:new Vector3,this.direction=void 0!==t?t:new Vector3}set(e,t){return this.origin.copy(e),this.direction.copy(t),this}copy(e){return this.origin.copy(e.origin),this.direction.copy(e.direction),this}at(e,t){return(t||new Vector3).copy(this.direction).multiplyScalar(e).add(this.origin)}recast(e){const t=h;return this.origin.copy(this.at(e,t)),this}closestPointToPoint(e,t){const r=t||new Vector3;r.subVectors(e,this.origin);const s=r.dot(this.direction);return r.copy(this.direction).multiplyScalar(s).add(this.origin)}distanceToPoint(e){const t=h,r=t.subVectors(e,this.origin).dot(this.direction);return t.copy(this.direction).multiplyScalar(r).add(this.origin),t.distanceTo(e)}isIntersectionCylinder(){}isIntersectionSphere(e){return this.distanceToPoint(e.center)<=e.radius}isIntersectionPlane(e){return 0!==e.normal.dot(this.direction)||0===e.distanceToPoint(this.origin)}distanceToPlane(e){const t=e.normal.dot(this.direction);if(0===t)return 0===e.distanceToPoint(this.origin)?0:void 0;return-(this.origin.dot(e.normal)+e.constant)/t}intersectPlane(e,t){const r=this.distanceToPlane(e);if(void 0!==r)return this.at(r,t)}applyMatrix4(e){return this.direction.add(this.origin).applyMatrix4(e),this.origin.applyMatrix4(e),this.direction.sub(this.origin),this}clone(){return(new Ray).copy(this)}}function f(e,t,r,s,a,n){s=s*Math.PI/180,a=a*Math.PI/180,n=n*Math.PI/180;const o=e=>e*e,l=Math.cos(s),h=Math.cos(a),c=Math.cos(n),u=Math.sin(n);return new Matrix3(e,t*c,r*h,0,t*u,r*(l-h*c)/u,0,0,r*Math.sqrt(1-o(l)-o(h)-o(c)+2*l*h*c)/u)}},3351:(e,t,r)=>{"use strict";r.r(t),r.d(t,{Cylinder:()=>Cylinder,Sphere:()=>Sphere,Triangle:()=>Triangle});var s=r(9652);class Sphere{constructor(e={x:0,y:0,z:0},t=0){this.center=new s.Vector3(e.x,e.y,e.z),this.radius=t}set(e,t){return this.center.copy(e),this.radius=t,this}copy(e){return this.center.copy(e.center),this.radius=e.radius,this}applyMatrix4(e){return this.center.applyMatrix4(e),this.radius=this.radius*e.getMaxScaleOnAxis(),this}translate(e){return this.center.add(e),this}equals(e){return e.center.equals(this.center)&&e.radius===this.radius}clone(){return(new Sphere).copy(this)}}let a=new s.Vector3;class Cylinder{constructor(e=new s.Vector3,t=new s.Vector3,r=0){this.c1=e,this.c2=t,this.radius=r,this.direction=(new s.Vector3).subVectors(this.c2,this.c1).normalize()}copy(e){return this.c1.copy(e.c1),this.c2.copy(e.c2),this.direction.copy(e.direction),this.radius=e.radius,this}lengthSq(){return a.subVectors(this.c2,this.c1).lengthSq()}applyMatrix4(e){return this.direction.add(this.c1).applyMatrix4(e),this.c1.applyMatrix4(e),this.c2.applyMatrix4(e),this.direction.sub(this.c1).normalize(),this.radius=this.radius*e.getMaxScaleOnAxis(),this}}const n=new s.Vector3;class Triangle{constructor(e=new s.Vector3,t=new s.Vector3,r=new s.Vector3){this.a=e,this.b=t,this.c=r}copy(e){return this.a.copy(e.a),this.b.copy(e.b),this.c.copy(e.c),this}applyMatrix4(e){return this.a.applyMatrix4(e),this.b.applyMatrix4(e),this.c.applyMatrix4(e),this}getNormal(){var e=this.a.clone();return e.sub(this.b),n.subVectors(this.c,this.b),e.cross(n),e.normalize(),e}}},9158:(__unused_webpack_module,__webpack_exports__,__webpack_require__)=>{"use strict";__webpack_require__.r(__webpack_exports__),__webpack_require__.d(__webpack_exports__,{autoinit:()=>autoinit,autoload:()=>autoload,processing_autoinit:()=>processing_autoinit,viewers:()=>viewers});var _GLViewer__WEBPACK_IMPORTED_MODULE_0__=__webpack_require__(9230),_ProteinSurface4__WEBPACK_IMPORTED_MODULE_1__=__webpack_require__(9192),_utilities__WEBPACK_IMPORTED_MODULE_2__=__webpack_require__(9005),_colors__WEBPACK_IMPORTED_MODULE_3__=__webpack_require__(2550),autoinit=!1,processing_autoinit=!1,viewers={};function autoload(viewer,callback){var i,dataname,type;if(null!=document.querySelector(".viewer_3Dmoljs")&&(autoinit=!0),autoinit){processing_autoinit=!0,viewer=null!=viewer?viewer:null;var nviewers=0;document.querySelectorAll(".viewer_3Dmoljs").forEach((viewerdiv=>{var datauri=[],datatypes=[],uri="";"static"==viewerdiv.style.position&&(viewerdiv.style.position="relative");var UI=null;if(type=null,viewerdiv.dataset.pdb)datauri.push("https://files.rcsb.org/view/"+viewerdiv.dataset.pdb+".pdb"),datatypes.push("pdb");else if(viewerdiv.dataset.cid)datatypes.push("sdf"),datauri.push("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/"+viewerdiv.dataset.cid+"/SDF?record_type=3d");else if(viewerdiv.dataset.href||viewerdiv.dataset.url){uri=viewerdiv.dataset.href?viewerdiv.dataset.href:viewerdiv.dataset.url,datauri.push(uri),type=uri.substring(uri.lastIndexOf(".")+1),datatypes.push(type);var molName=uri.substring(uri.lastIndexOf("/")+1,uri.lastIndexOf("."));"/"==molName&&(molName=uri.substring(uri.lastIndexOf("/")+1)),viewerdiv.dataset[datatypes[datatypes.length-1]]=molName}var divdata=viewerdiv.dataset;for(i in divdata)"pdb"===i.substring(0,3)&&"pdb"!==i?(datauri.push("https://files.rcsb.org/view/"+divdata[i]+".pdb"),datatypes.push("pdb")):"href"===i.substring(0,4)&&"href"!==i?(uri=divdata[i],datauri.push(uri),datatypes.push(uri.substring(uri.lastIndexOf(".")+1))):"cid"===i.substring(0,3)&&"cid"!==i&&(datauri.push("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/"+divdata[i]+"/SDF?record_type=3d"),datatypes.push("sdf"));var options={};viewerdiv.dataset.options&&(options=(0,_utilities__WEBPACK_IMPORTED_MODULE_2__.specStringToObject)(viewerdiv.dataset.options));var bgcolor=_colors__WEBPACK_IMPORTED_MODULE_3__.CC.color(viewerdiv.dataset.backgroundcolor),bgalpha=viewerdiv.dataset.backgroundalpha;bgalpha=null==bgalpha?1:parseFloat(bgalpha);var style={line:{}};viewerdiv.dataset.style&&(style=(0,_utilities__WEBPACK_IMPORTED_MODULE_2__.specStringToObject)(viewerdiv.dataset.style));var select={};viewerdiv.dataset.select&&(select=(0,_utilities__WEBPACK_IMPORTED_MODULE_2__.specStringToObject)(viewerdiv.dataset.select));var selectstylelist=[],surfaces=[],labels=[],zoomto={},spin=null,d=viewerdiv.dataset,stylere=/style(.+)/,surfre=/surface(.*)/,reslabre=/labelres(.*)/,keys=[];for(dataname in d)Object.prototype.hasOwnProperty.call(d,dataname)&&keys.push(dataname);for(keys.sort(),i=0;i{UI.loadSurface("VDW",t,r,e)})):e.addSurface(_ProteinSurface4__WEBPACK_IMPORTED_MODULE_1__.SurfaceType.VDW,r,t,t)}for(i=0;i{"complete"===document.readyState&&autoload()}},2550:(e,t,r)=>{"use strict";r.r(t),r.d(t,{CC:()=>CC,Color:()=>Color,builtinColorSchemes:()=>c,chains:()=>h,elementColors:()=>o,htmlColors:()=>s,residues:()=>l,ssColors:()=>a});class Color{constructor(e,t,r){return this.r=0,this.g=0,this.b=0,arguments.length>1&&"number"==typeof e?(this.r=e||0,this.g=t||0,this.b=r||0,this):this.set(e||0)}set(e){return e instanceof Color?e.clone():("number"==typeof e?this.setHex(e):"object"==typeof e&&(this.r=(null==e?void 0:e.r)||0,this.g=(null==e?void 0:e.g)||0,this.b=(null==e?void 0:e.b)||0),this)}setHex(e){return e=Math.floor(e),this.r=(e>>16&255)/255,this.g=(e>>8&255)/255,this.b=(255&e)/255,this}getHex(){return Math.round(255*this.r)<<16|Math.round(255*this.g)<<8|Math.round(255*this.b)}clone(){return new Color(this.r,this.g,this.b)}copy(e){return this.r=e.r,this.g=e.g,this.b=e.b,this}scaled(){var e={};return e.r=Math.round(255*this.r),e.g=Math.round(255*this.g),e.b=Math.round(255*this.b),e.a=1,e}}class CC{static color(e){if(!e)return CC.cache[0];if(e instanceof Color)return e;if("number"==typeof e&&void 0!==CC.cache[e])return CC.cache[e];if(e&&Array.isArray(e))return e.map(CC.color);let t=CC.getHex(e),r=new Color(t);return CC.cache[t]=r,r}static getHex(e){var t;if(Array.isArray(e))return e.map(CC.getHex);if("string"==typeof e){let r=e;if(!isNaN(parseInt(r)))return 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Ne(){this.strm=null,this.status=0,this.pending_buf=null,this.pending_buf_size=0,this.pending_out=0,this.pending=0,this.wrap=0,this.gzhead=null,this.gzindex=0,this.method=ve,this.last_flush=-1,this.w_size=0,this.w_bits=0,this.w_mask=0,this.window=null,this.window_size=0,this.prev=null,this.head=null,this.ins_h=0,this.hash_size=0,this.hash_bits=0,this.hash_mask=0,this.hash_shift=0,this.block_start=0,this.match_length=0,this.prev_match=0,this.match_available=0,this.strstart=0,this.match_start=0,this.lookahead=0,this.prev_length=0,this.max_chain_length=0,this.max_lazy_match=0,this.level=0,this.strategy=0,this.good_match=0,this.nice_match=0,this.dyn_ltree=new Uint16Array(1146),this.dyn_dtree=new Uint16Array(122),this.bl_tree=new Uint16Array(78),Se(this.dyn_ltree),Se(this.dyn_dtree),Se(this.bl_tree),this.l_desc=null,this.d_desc=null,this.bl_desc=null,this.bl_count=new Uint16Array(16),this.heap=new Uint16Array(573),Se(this.heap),this.heap_len=0,this.heap_max=0,this.depth=new 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t===ae&&((r=e.state).window_size=2*r.w_size,Se(r.head),r.max_lazy_match=Be[r.level].max_lazy,r.good_match=Be[r.level].good_length,r.nice_match=Be[r.level].nice_length,r.max_chain_length=Be[r.level].max_chain,r.strstart=0,r.block_start=0,r.lookahead=0,r.insert=0,r.match_length=r.prev_length=2,r.match_available=0,r.ins_h=0),t},He=(e,t,r,s,a,n)=>{if(!e)return oe;let o=1;if(t===ce&&(t=6),s<0?(o=0,s=-s):s>15&&(o=2,s-=16),a<1||a>9||r!==ve||s<8||s>15||t<0||t>9||n<0||n>pe||8===s&&1!==o)return Ae(e,oe);8===s&&(s=9);const l=new Ne;return e.state=l,l.strm=e,l.status=be,l.wrap=o,l.gzhead=null,l.w_bits=s,l.w_size=1<He(e,t,ve,15,8,me),deflateInit2:He,deflateReset:je,deflateResetKeep:Ve,deflateSetHeader:(e,t)=>Ue(e)||2!==e.state.wrap?oe:(e.state.gzhead=t,ae),deflate:(e,t)=>{if(Ue(e)||t>se||t<0)return e?Ae(e,oe):oe;const r=e.state;if(!e.output||0!==e.avail_in&&!e.input||r.status===xe&&t!==ie)return Ae(e,0===e.avail_out?he:oe);const s=r.last_flush;if(r.last_flush=t,0!==r.pending){if(Le(e),0===e.avail_out)return r.last_flush=-1,ae}else if(0===e.avail_in&&Ce(t)<=Ce(s)&&t!==ie)return Ae(e,he);if(r.status===xe&&0!==e.avail_in)return Ae(e,he);if(r.status===be&&0===r.wrap&&(r.status=we),r.status===be){let t=ve+(r.w_bits-8<<4)<<8,s=-1;if(s=r.strategy>=ue||r.level<2?0:r.level<6?1:6===r.level?2:3,t|=s<<6,0!==r.strstart&&(t|=32),t+=31-t%31,ke(r,t),0!==r.strstart&&(ke(r,e.adler>>>16),ke(r,65535&e.adler)),e.adler=1,r.status=we,Le(e),0!==r.pending)return r.last_flush=-1,ae}if(57===r.status)if(e.adler=0,Te(r,31),Te(r,139),Te(r,8),r.gzhead)Te(r,(r.gzhead.text?1:0)+(r.gzhead.hcrc?2:0)+(r.gzhead.extra?4:0)+(r.gzhead.name?8:0)+(r.gzhead.comment?16:0)),Te(r,255&r.gzhead.time),Te(r,r.gzhead.time>>8&255),Te(r,r.gzhead.time>>16&255),Te(r,r.gzhead.time>>24&255),Te(r,9===r.level?2:r.strategy>=ue||r.level<2?4:0),Te(r,255&r.gzhead.os),r.gzhead.extra&&r.gzhead.extra.length&&(Te(r,255&r.gzhead.extra.length),Te(r,r.gzhead.extra.length>>8&255)),r.gzhead.hcrc&&(e.adler=q(e.adler,r.pending_buf,r.pending,0)),r.gzindex=0,r.status=69;else if(Te(r,0),Te(r,0),Te(r,0),Te(r,0),Te(r,0),Te(r,9===r.level?2:r.strategy>=ue||r.level<2?4:0),Te(r,3),r.status=we,Le(e),0!==r.pending)return r.last_flush=-1,ae;if(69===r.status){if(r.gzhead.extra){let t=r.pending,s=(65535&r.gzhead.extra.length)-r.gzindex;for(;r.pending+s>r.pending_buf_size;){let a=r.pending_buf_size-r.pending;if(r.pending_buf.set(r.gzhead.extra.subarray(r.gzindex,r.gzindex+a),r.pending),r.pending=r.pending_buf_size,r.gzhead.hcrc&&r.pending>t&&(e.adler=q(e.adler,r.pending_buf,r.pending-t,t)),r.gzindex+=a,Le(e),0!==r.pending)return r.last_flush=-1,ae;t=0,s-=a}let a=new Uint8Array(r.gzhead.extra);r.pending_buf.set(a.subarray(r.gzindex,r.gzindex+s),r.pending),r.pending+=s,r.gzhead.hcrc&&r.pending>t&&(e.adler=q(e.adler,r.pending_buf,r.pending-t,t)),r.gzindex=0}r.status=73}if(73===r.status){if(r.gzhead.name){let t,s=r.pending;do{if(r.pending===r.pending_buf_size){if(r.gzhead.hcrc&&r.pending>s&&(e.adler=q(e.adler,r.pending_buf,r.pending-s,s)),Le(e),0!==r.pending)return r.last_flush=-1,ae;s=0}t=r.gzindexs&&(e.adler=q(e.adler,r.pending_buf,r.pending-s,s)),r.gzindex=0}r.status=91}if(91===r.status){if(r.gzhead.comment){let 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r=__webpack_module_cache__[e]={exports:{}};return __webpack_modules__[e].call(r.exports,r,r.exports,__webpack_require__),r.exports}__webpack_require__.n=e=>{var t=e&&e.__esModule?()=>e.default:()=>e;return __webpack_require__.d(t,{a:t}),t},__webpack_require__.d=(e,t)=>{for(var r in t)__webpack_require__.o(t,r)&&!__webpack_require__.o(e,r)&&Object.defineProperty(e,r,{enumerable:!0,get:t[r]})},__webpack_require__.o=(e,t)=>Object.prototype.hasOwnProperty.call(e,t),__webpack_require__.r=e=>{"undefined"!=typeof Symbol&&Symbol.toStringTag&&Object.defineProperty(e,Symbol.toStringTag,{value:"Module"}),Object.defineProperty(e,"__esModule",{value:!0})},__webpack_require__(3637),__webpack_require__(7882);var __webpack_exports__=__webpack_require__(6279);return __webpack_exports__})())); diff --git a/frontend/public/assets/3Dmol-min.js.LICENSE.txt b/frontend/public/assets/3Dmol-min.js.LICENSE.txt new file mode 100644 index 00000000..8bb033ce --- /dev/null +++ b/frontend/public/assets/3Dmol-min.js.LICENSE.txt @@ -0,0 +1,89 @@ +3Dmol.js incorporates code from GLmol, Three.js, and jQuery and +is licensed under a BSD-3-Clause license. + +* 3Dmol.js + Copyright (c) 2014, University of Pittsburgh and contributors + All rights reserved. + + Redistribution and use in source and binary forms, with or without + modification, are permitted provided that the following conditions are met: + + 1. Redistributions of source code must retain the above copyright + notice, this list of conditions and the following disclaimer. + + 2. Redistributions in binary form must reproduce the above copyright + notice, this list of conditions and the following disclaimer in the + documentation and/or other materials provided with the distribution. + + 3. Neither the name of the copyright holder nor the names of its + contributors may be used to endorse or promote products derived from + this software without specific prior written permission. + + THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS + "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT + LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A + PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT + HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, + SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED + TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR + PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF + LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING + NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS + SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + +* GLmol + GLmol - Molecular Viewer on WebGL/Javascript (0.47) + (C) Copyright 2011-2012, biochem_fan + License: dual license of MIT or LGPL3 + + Contributors: + Robert Hanson for parseXYZ, deferred instantiation + + + +* Three.js + https://github.com/mrdoob/three.js + + Copyright (c) 2010-2012 three.js Authors. All rights reserved. + + Permission is hereby granted, free of charge, to any person obtaining a copy + of this software and associated documentation files (the "Software"), to deal + in the Software without restriction, including without limitation the rights + to use, copy, modify, merge, publish, distribute, sublicense, and/or sell + copies of the Software, and to permit persons to whom the Software is + furnished to do so, subject to the following conditions: + + The above copyright notice and this permission notice shall be included in + all copies or substantial portions of the Software. + + THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE + AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER + LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, + OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN + THE SOFTWARE. + +* jQuery + http://jquery.org/ + + Copyright (c) 2011 John Resig + + Permission is hereby granted, free of charge, to any person obtaining + a copy of this software and associated documentation files (the + "Software"), to deal in the Software without restriction, including + without limitation the rights to use, copy, modify, merge, publish, + distribute, sublicense, and/or sell copies of the Software, and to + permit persons to whom the Software is furnished to do so, subject to + the following conditions: + + The above copyright notice and this permission notice shall be + included in all copies or substantial portions of the Software. + + THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, + EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF + MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND + NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE + LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION + OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION + WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. diff --git a/frontend/public/assets/Changelog.md b/frontend/public/assets/Changelog.md new file mode 100644 index 00000000..7fedc232 --- /dev/null +++ b/frontend/public/assets/Changelog.md @@ -0,0 +1,71 @@ +# Changelog # +## March 19, 2024 ## +* Also store selected options to recall them when re-opening the web page +* Ensure there is always a default Foundry folder selected +* Set default Foundry folder to `/Global/Foundry Training and Resources/Example Data/Aviation Ontology` as this should be readable by everybody +* Added support for folder navigationi n Foundry dialog + +## March 18, 2024 ## +* Added option to hide the generated code +* Added option to attempt automatically fixing runtime errors +* Added a button for printing the chat history. This should also allow for conveninet pdf export through your browser's print dialog. + +## March 06, 2024 ## +* Added this changelog to the documentation section +* Produced graphs and images are resizable now via a handle at their lower right corner + +## March 04, 2024 ## +* Added support for [`py3dmol`](https://3dmol.csb.pitt.edu/doc/index.html) plots: Just upload a `.pdb`, `.xyz` `.sdf`, `.mol`, or `.cube` file and request a plot +* Rework of internal handling of different result types + +## February 29, 2024 ## +* Added [`bio`](https://github.com/ialbert/bio) and [`docx`](https://pypi.org/project/docx/) to the list of preinstalled Python packages +* Added kernel control buttons to the sidebar +* Added command and button to interrupt code execution +* Visual cleanup of the sidebar +* More resilience against errors and failures in the internal infrastructure parts +* More consistently monitor last access to the individual kernels and clean up their resources and storage regularly + +## February 26, 2024 ## +* Added a plugin system that allows system admins to provide additional, specialized functions to be called by the generated code + +## February 17, 2024 ## +* Added notification if the app is open in more than one browser tab (which would have led to inconsistent result output). +* Extensive refactoring and simplification of the internal infrastructure +* Made special commands `clear` and `reset` case-insensitive. + +## February 11, 2024 ## +* Switched to vector graphics output for plots. This enables support for non-Western typefaces and improves visuali quality of the plots. +* Added support for Antropic Claude language models in addition to OpenAI GPT + +## January 18, 2024 ## +* Added [`XlsxWriter`](https://github.com/jmcnamara/XlsxWriter) to the list of preinstalled Python packages +* Added support for generating word clouds +* Added Disclaimer popup +* Added demo video + +## November 09, 2023 ## +* Improve isolation of kernels to prevent potential cross-talk between user sessions + +## October 24, 2023 ## +* Improved chat history sent to the LLM: + * more consistent truncation to avoid running over the context length limit too quickly + * include a sneak preview into uploaded files to allow for the LLM to produce better-suited code + +## October 17, 2023 ## +* Allow navigating back to previous prompts with `Alt + Up/Down` +* Support downloading data assets from Palantir Foundry via the [`foundry-dev-tools`](https://github.com/emdgroup/foundry-dev-tools) library + +## September 18, 2023 ## +* Removed option to set the API key in the frontend +* Added [`rdkit`](https://www.rdkit.org), [`scikit-learn`](https://scikit-learn.org/stable/), and [`scipy`](https://scipy.org) to the list of preinstalled Python packages +* Allowed (de)activating the automatic generation of commands to install missing packages + +## August 04, 2023 ## +* Use one kernel per individual user's session +* Added support for `rdkit`-generated molecule structure plots (`png` iamges sent as `execute_result`) +* Several improvements for stability and resilience + +## July 24, 2023 +* Added support for markdown table output +* Add a sneak-peek into specific file types to allow for the LLM to generate more suitable code to deal with the file content diff --git a/frontend/public/assets/Disclaimer.md b/frontend/public/assets/Disclaimer.md new file mode 100644 index 00000000..6ad30f13 --- /dev/null +++ b/frontend/public/assets/Disclaimer.md @@ -0,0 +1,9 @@ +# Data Analysis Using Natural Language Input + +This is a tool for generating executable code from natural language input. Among other applications, this can be used for rapid data analysis e.g., for creating simple statistics, plots, but also more advanced calculations such as regressions. + +To do this, you can specify in natural language how you want to analyze the data. The underlying GPT API creates the corresponding code that is then executed. **You can either upload a CSV or XLSX file or connect a data asset from Palantir Foundry using its RID or folder path.** Please note that you need to at least have read authorization for the use case in Foundry that contains the data to be analyzed. The tool cannot write data to Foundry and does not send or store any data beyond your interactive session. + +**The tool is experimental and there is no guarantee that the analysis results are correct.** Be as precise as possible when entering the analysis request and specify which variables are to be analyzed and how. You can check the correctness of the analysis by examining the executed code. + +For some ideas on what is possible with this tool, see the demo video that is available through the sidebar on the left or by clicking the button below. diff --git a/frontend/public/assets/GPT Code UI.mp4 b/frontend/public/assets/GPT Code UI.mp4 new file mode 100644 index 00000000..2e986caf Binary files /dev/null and b/frontend/public/assets/GPT Code UI.mp4 differ diff --git a/frontend/src/App.css b/frontend/src/App.css index ac6a5149..d32a2ecb 100644 --- a/frontend/src/App.css +++ b/frontend/src/App.css @@ -16,4 +16,8 @@ flex: 1; overflow: hidden; height: 100vh; -} \ No newline at end of file +} + +.sidebar { + background-color: rgb(185, 205, 215); +} diff --git a/frontend/src/App.tsx b/frontend/src/App.tsx index 3212d273..a530776d 100644 --- a/frontend/src/App.tsx +++ b/frontend/src/App.tsx @@ -1,10 +1,23 @@ import "./App.css"; import Input from "./components/Input"; -import Sidebar from "./components/Sidebar"; +import Logo from "./components/Logo" +import Documentation from "./components/Documentation"; +import Kernel from "./components/Kernel"; +import Settings from "./components/Settings"; import Chat, { WaitingStates } from "./components/Chat"; -import React, { useState, useEffect } from "react"; +import React, { useState, useEffect, useRef, useCallback } from "react"; +import Stack from '@mui/material/Stack'; +import Button from '@mui/material/Button'; +import Dialog from '@mui/material/Dialog'; +import DialogActions from '@mui/material/DialogActions'; +import DialogContent from '@mui/material/DialogContent'; +import DialogContentText from '@mui/material/DialogContentText'; +import DialogTitle from '@mui/material/DialogTitle'; import Config from "./config"; -import { useLocalStorage } from "usehooks-ts"; +import useLocalStorage from "use-local-storage"; +import { v4 as uuidv4 } from 'uuid'; +import PrintIcon from '@mui/icons-material/Print'; +import { useReactToPrint } from 'react-to-print'; export type MessageDict = { text: string; @@ -12,10 +25,35 @@ export type MessageDict = { type: string; }; +let tabID = 'undefined'; + function App() { - const COMMANDS = ["reset"]; + // map from user command to kernel api endpoint, info message, etc. + const COMMANDS = { + "reset": { + endpoint: `${Config.API_ADDRESS}/restart`, + status: WaitingStates.WaitingForKernel, + message: "Restarting the kernel.", + onSuccess: () => {} + }, + "clear": { + endpoint: `${Config.WEB_ADDRESS}/clear_history`, + status: WaitingStates.Idle, + message: "Clearing chat history.", + onSuccess: () => { setMessages(DEFAULT_MESSAGES); } + }, + "stop": { + endpoint: `${Config.API_ADDRESS}/interrupt`, + status: WaitingStates.WaitingForKernel, + message: "Interrupting code execution.", + onSuccess: () => {} + }, + }; - let [MODELS, setModels] = useState([{displayName: "GPT-3.5", name: "gpt-3.5-turbo"}]); + const [showCode, setShowCode] = useLocalStorage("showCode", false); + const [autoFix, setAutoFix] = useLocalStorage("autoFix", 0); + const [autoFixCountdown, setAutoFixCountdown] = useState(autoFix); + const [MODELS, setModels] = useState<{displayName: string, name: string}[]>([]); useEffect(() => { const getModels = async () => { @@ -25,37 +63,59 @@ function App() { setModels(json); } catch (e) { console.error(e); - }; + } }; getModels(); }, []); - let [selectedModel, setSelectedModel] = useLocalStorage( - "model", - MODELS[0].name - ); + const [selectedModel, setSelectedModel] = useLocalStorage("model", "gpt-3.5-turbo"); + const [toggledOptions, setToggledOptions] = useLocalStorage("options", ['svg', ]); + + const DEFAULT_MESSAGES = Array.from([ + { + text: `Hello! I am a GPT Code assistant. Ask me to do something for you! +Pro tip: you can upload a file and I'll be able to use it.`, + role: "documentation", + type: "message", + }, + { + text: `If I get stuck just type reset⮐ and I'll restart the kernel. +For interrupting a running program, please type stop⮐. +In case you want to clear the conversation history, just type clear⮐. +Use Alt+↑ and Alt+↓ to recall previous prompts.`, + role: "documentation", + type: "message", + }, + ]); - let [openAIKey, setOpenAIKey] = useLocalStorage("OpenAIKey", ""); + useEffect(() => { + tabID = uuidv4(); + }, []); - let [messages, setMessages] = useState>( - Array.from([ - { - text: "Hello! I'm a GPT Code assistant. Ask me to do something for you! Pro tip: you can upload a file and I'll be able to use it.", - role: "generator", - type: "message", - }, - { - text: "If I get stuck just type 'reset' and I'll restart the kernel.", - role: "generator", - type: "message", - }, - ]) - ); - let [waitingForSystem, setWaitingForSystem] = useState( - WaitingStates.Idle - ); - const chatScrollRef = React.useRef(null); + const [otherTabDetected, setOtherTabDetected] = useState(false); + + const continueSession = useCallback(() => { + const channel = new BroadcastChannel('cross-tab-communication'); + channel.addEventListener('message', (msg) => { + if (msg.data.type == 'new tab') { + setOtherTabDetected(msg.data.id != tabID); + } + }); + + channel.postMessage({ + type: 'new tab', + id: tabID, + }); + }, []); + + useEffect(() => { + continueSession(); + }, [continueSession]); + + const [messages, setMessages] = useState(DEFAULT_MESSAGES); + const [waitingForSystem, setWaitingForSystem] = useState(WaitingStates.Idle); + const chatScrollRef = useRef(null); const submitCode = async (code: string) => { fetch(`${Config.API_ADDRESS}/api`, { @@ -63,49 +123,47 @@ function App() { headers: { "Content-Type": "application/json", }, - body: JSON.stringify({ command: code }), + body: JSON.stringify({ command: code, options: toggledOptions }), }) .then(() => {}) .catch((error) => console.error("Error:", error)); }; const addMessage = (message: MessageDict) => { - setMessages((state: any) => { + setMessages((state: MessageDict[]) => { return [...state, message]; }); }; - const handleCommand = (command: string) => { - if (command == "reset") { - addMessage({ text: "Restarting the kernel.", type: "message", role: "system" }); - - fetch(`${Config.API_ADDRESS}/restart`, { - method: "POST", - headers: { - "Content-Type": "application/json", - }, - body: JSON.stringify({}), - }) - .then(() => {}) - .catch((error) => console.error("Error:", error)); - } + const handleCommand = ({endpoint, message, status, onSuccess}: {endpoint:string, message: string, status: WaitingStates, onSuccess: () => void}) => { + addMessage({ text: message, type: "message", role: "system" }); + setWaitingForSystem(status); + fetch(endpoint, { + method: "POST", + headers: { + "Content-Type": "application/json", + }, + body: JSON.stringify({}), + }) + .then(onSuccess) + .catch((error) => console.error("Error:", error)); }; - const sendMessage = async (userInput: string) => { - try { - if (COMMANDS.includes(userInput)) { - handleCommand(userInput); - return; - } - - if (userInput.length == 0) { - return; - } - - addMessage({ text: userInput, type: "message", role: "user" }); + const handleUserInput = async (userInput: string) => { + if(userInput.toLowerCase() in COMMANDS) { + handleCommand(COMMANDS[userInput.toLowerCase() as keyof typeof COMMANDS]) + } else if (userInput.length > 0) { + setAutoFixCountdown(autoFix); + sendMessage(userInput, 'user'); setWaitingForSystem(WaitingStates.GeneratingCode); + } + } - const response = await fetch(`${Config.WEB_ADDRESS}/generate`, { + const sendMessage = async (userInput: string, role: string) => { + addMessage({ text: userInput, type: 'message', role: role }); + + try { + const response = await fetch(`${Config.WEB_ADDRESS}/generate`, { method: "POST", headers: { "Content-Type": "application/json", @@ -113,7 +171,6 @@ function App() { body: JSON.stringify({ prompt: userInput, model: selectedModel, - openAIKey: openAIKey, }), }); @@ -126,8 +183,8 @@ function App() { setWaitingForSystem(WaitingStates.Idle); return; } - - if (!!code) { + + if (code) { submitCode(code); setWaitingForSystem(WaitingStates.RunningCode); } else { @@ -141,49 +198,125 @@ function App() { } }; - async function getApiData() { - if(document.hidden){ - return; - } - - let response = await fetch(`${Config.API_ADDRESS}/api`); - let data = await response.json(); - data.results.forEach(function (result: {value: string, type: string}) { - if (result.value.trim().length == 0) { - return; - } - - addMessage({ text: result.value, type: result.type, role: "system" }); - setWaitingForSystem(WaitingStates.Idle); - }); - } - function completeUpload(message: string) { addMessage({ text: message, type: "message", role: "upload" }); setWaitingForSystem(WaitingStates.Idle); - - // Inform prompt server - fetch(`${Config.WEB_ADDRESS}/inject-context`, { - method: "POST", - headers: { - "Content-Type": "application/json", - }, - body: JSON.stringify({ - prompt: message, - }), - }) - .then(() => {}) - .catch((error) => console.error("Error:", error)); } - function startUpload(_: string) { + function startUpload() { setWaitingForSystem(WaitingStates.UploadingFile); } + async function downloadFoundryDataset(dataset_rid: string) { + if (dataset_rid != '') { + try { + setWaitingForSystem(WaitingStates.UploadingFile); + const response = await fetch(`${Config.WEB_ADDRESS}/foundry_files`, { + method: "POST", + headers: { + "Content-Type": "application/json", + }, + body: JSON.stringify({ "dataset_rid": dataset_rid }), + }); + if (response.ok) { + const json = await response.json(); + json.map((file: {message: string, filename: string}) => { + addMessage({ text: file.message, type: "message", role: "upload" }); + }); + } else { + const msg = await response.text(); + addMessage({ text: `Downloading dataset ${dataset_rid} failed with status code ${response.status}: ${msg}. +Possibly, you only have Discoverer role but need at least Reader role on the item.`, type: "message", role: "upload" }); + console.log(response); + } + } catch (e) { + console.error(e); + } finally { + setWaitingForSystem(WaitingStates.Idle); + } + } + } + React.useEffect(() => { + + async function getApiData() { + if (document.hidden || otherTabDetected){ + return; + } + + try { + const response = await fetch(`${Config.API_ADDRESS}/api`, {redirect: 'manual'}); + if (response.type === 'opaqueredirect') { + // redirect occurs in the AppService when a new login is required. We could reload automatically, + // but that would lead to the user loosing their previous results. + setWaitingForSystem(WaitingStates.SessionTimeout); + } else { + const data = await response.json(); + + switch (data.status) { + case "starting": + setWaitingForSystem(WaitingStates.WaitingForKernel); + break; + case "ready": + case "idle": + setWaitingForSystem(WaitingStates.Idle); + break; + case "generating": + setWaitingForSystem(WaitingStates.GeneratingCode); + break; + case "busy": + setWaitingForSystem(WaitingStates.RunningCode); + break; + default: + setWaitingForSystem(WaitingStates.WaitingForKernel); + } + + data.results.forEach(function (result: {value: string, type: string}) { + if (result.value.trim().length == 0) { + return; + } + + addMessage({ text: result.value, type: result.type, role: "system" }); + }); + + if ((data.results.at(-1)?.type == 'message_error') && (autoFix > 0)) { + // we got a runtime error. Mark all previous results as potentially incomplete + setMessages((state: MessageDict[]) => + { + for (let step = state.length - 1; step > 0; step--) { + if (state[step].role != 'system') { + // this is likely the latest user prompt or generator output - do not go further back + break; + } else { + state[step].role = 'system_hide'; + } + } + return state; + }); + + if (autoFixCountdown > 0) { + setAutoFixCountdown(autoFixCountdown - 1); + setWaitingForSystem(WaitingStates.FixingCode); + await sendMessage('Please fix the error.', 'generator'); + } else { + addMessage({ text: `Automatic fixing of execution errors failed after ${autoFix} attempts. Please check your input.`, type: 'message', role: 'system' }) + } + } + } + } catch (error) { + if (error instanceof(TypeError)) { + if (waitingForSystem != WaitingStates.WaitingForKernel) { + setWaitingForSystem(WaitingStates.WaitingForKernel); + } + } else { + console.error('Error while fetching from api: ' + error); + } + } + } + const interval = setInterval(getApiData, 1000); return () => clearInterval(interval); - }, [getApiData]); + }, [autoFix, autoFixCountdown, otherTabDetected]); React.useEffect(() => { // Scroll down container by setting scrollTop to the height of the container @@ -193,20 +326,20 @@ function App() { // Capture clicks for download links React.useEffect(() => { - const clickHandler = (event: any) => { - let element = event.target; - + const clickHandler = (event: MouseEvent) => { + const element = event.target as HTMLElement; + // If an element was found, prevent default action and do something else if (element != null && element.tagName === 'A') { // Check if href starts with /download - - if (element.getAttribute("href").startsWith(`/download`)) { + + if (element.getAttribute("href")?.startsWith(`/download`)) { event.preventDefault(); // Make request to ${Config.WEB_ADDRESS}/download instead // make it by opening a new tab window.open(`${Config.WEB_ADDRESS}${element.getAttribute("href")}`); - } + } } }; @@ -217,32 +350,89 @@ function App() { return () => { document.removeEventListener('click', clickHandler); }; - }, []); + }, []); + + const handlePrint = useReactToPrint({ + content: () => chatScrollRef.current, + }); return ( <>
- { - setSelectedModel(val); - }} - openAIKey={openAIKey} - setOpenAIKey={(val: string) => { - setOpenAIKey(val); - }} - /> + + + {"Another Browser Tab Detected"} + + + + This tool does not support multiple sessions in different + browser tabs. The session in this tab has been suspended. + You can either close this browser tab/window or press the button + below to continue your work here and suspend sessions + in all other open tabs. + + + + + + + + + + + { handleCommand(COMMANDS["clear"]); }} + onInterruptKernel={() => { handleCommand(COMMANDS["stop"]); }} + onResetKernel={() => { handleCommand(COMMANDS["reset"]); }} + /> + + + + + + + +
diff --git a/frontend/src/components/Chat.css b/frontend/src/components/Chat.css index 5e1fe7f9..fef26514 100644 --- a/frontend/src/components/Chat.css +++ b/frontend/src/components/Chat.css @@ -1,11 +1,3 @@ -div.message.generator { - background: rgba(247,247,248); -} - -div.message.system { - background: rgba(247,247,248); -} - div.avatar { background: rgb(194, 142, 210); padding: 5px; @@ -54,6 +46,24 @@ div.message-body { width: 100%; } +kbd { + font-weight: bold; +} + +kbd > kbd { + border-radius: 3px; + padding: 1px 2px 0; + border: 1px solid; +} + +.message-body td, th { + border-left: 2vw solid transparent; +} + +.message-body tr>td:first-child { + border: 0px; +} + .loader { border: 5px solid #74a89b; border-radius: 50%; @@ -72,4 +82,3 @@ div.message-body { 0% { transform: rotate(0deg); } 100% { transform: rotate(360deg); } } - diff --git a/frontend/src/components/Chat.tsx b/frontend/src/components/Chat.tsx index 4fbedb1e..aa60f54b 100644 --- a/frontend/src/components/Chat.tsx +++ b/frontend/src/components/Chat.tsx @@ -6,127 +6,248 @@ import TerminalIcon from '@mui/icons-material/Terminal'; import FileUploadIcon from '@mui/icons-material/FileUpload'; import { MessageDict } from "../App"; +import { Resizable } from 're-resizable'; import remarkGfm from 'remark-gfm'; import SyntaxHighlighter from "react-syntax-highlighter"; -import { RefObject } from "react"; +import React, { RefObject, useRef, useEffect } from "react"; import ReactMarkdown from 'react-markdown'; -function Message(props: { - text: string; - role: string; - type: string; - showLoader?: boolean; -}) { - let { text, role } = props; +function Message_Loader(props: { text: string; }) { + return ( +
+ {props.text} +
+
+ ); +} + + +function Message_Generic(props: { text: string; }) { const isMarkdown = (input: string) => { - const mdRegex = /\[.*\]\(.*\)|\*\*.*\*\*|__.*__|\#.*|\!\[.*\]\(.*\)|`.*`|\- .*|\|.*\|/g; + const mdRegex = /\[.*\]\(.*\)|\*\*.*\*\*|__.*__|#.*|!\[.*\]\(.*\)|`.*`|- .*|\|.*\|/g; return mdRegex.test(input); }; - let ICONS = { + return ( + isMarkdown(props.text) ? + + ) : ( + + {children} + + ) + } + }} + /> + : +
+ ); +} + + +function Message_Error(props: { text: string; }) { + return ( +
+ Execution Error: + +
+ ); +} + + +function Message_Resizable_Image(component: React.ReactElement, initial_height: string | number = 'auto', lockAspectRatio = true) { + return ( +
+ + { component } + +
+ ); +} + + +function Message_PNG(props: { text: string; }) { + const component = ; + return Message_Resizable_Image( component ); +} + + +function Message_JPEG(props: { text: string; }) { + const component = ; + return Message_Resizable_Image( component ); +} + + +function Message_SVG(props: { text: string; }) { + const component = ; + return Message_Resizable_Image( component ); +} + + +function Message_HTML(props: { text: string; }) { + return
+} + + +function Message_3dmol(props: { text: string; }) { + const ref = useRef(null); + const found = props.text.match(/3dmolviewer_\d*/); + const text = (props.text + .replace(/(viewer_\d+)(\.setSize.*$)/, '$1.resize(); //$2') + .replace('https://cdnjs.cloudflare.com/ajax/libs/3Dmol/2.0.4/3Dmol-min.js', './assets/3Dmol-min.js') + .replace(');\n', `).then( function() { + const viewer = document.getElementById("${found}"); + viewer.style.width = "100%"; + viewer.style.height = "100%"; + }).catch( function(err) { + const viewer = document.getElementById("${found}"); + const textnode = document.createTextNode(\`Execution Error:\n\${err}\`); + viewer.parentElement.insertBefore(textnode, viewer); + } + );\n` + ) + ); + + useEffect(() => { + const node = document.createRange().createContextualFragment(text); + if (ref.current) { + ref.current.appendChild(node); + } + }, [ref, text]); + + const component =
; + return Message_Resizable_Image(component, '400px', false); +} + + +function Message(props: { + text: string; + role: string; + type: string; + showCode: boolean; +}) { + const ICONS = { "upload": , - "generator": , + "generator": , + "documentation": , "system": , + "system_hide": , "user": , }; - return ( -
-
-
- { ICONS[role as keyof typeof ICONS] } + const Message_Types = { + "image/png": Message_PNG, + "image/jpeg": Message_JPEG, + "image/svg+xml": Message_SVG, + "text/html": Message_HTML, + "application/3dmoljs_load.v0": Message_3dmol, + "message_error": Message_Error, + "message_raw": Message_HTML, + "message_status": Message_HTML, + "message_loader": Message_Loader, + "message": Message_Generic, + }; + + const Message_Type = Message_Types[props.type as keyof typeof Message_Types] || Message_Generic; + + if (!props.showCode && (props.role === "generator" || props.role === "system_hide")) { + return <>; + } else { + return ( +
+
+
+ { ICONS[props.role as keyof typeof ICONS] } +
+
+
+
-
- {props.type == "message" && - (props.showLoader ? ( -
- {text} {props.showLoader ?
: null} -
- ) : ( - isMarkdown(text) ? - - ) : ( - - {children} - - ) - } - }} - /> - : -
- ))} - - {(props.type == "message_raw") && - (props.showLoader ? ( -
- {text} {props.showLoader ?
: null} -
- ) : ( -
- ))} - - {props.type == "image/png" && -
` }}>
- } - {props.type == "image/jpeg" && -
` }}>
- } -
-
- ); + ); + } } export enum WaitingStates { + SessionTimeout = "Session timeout. Please reload the page.", + WaitingForKernel = "Waiting for kernel connection", GeneratingCode = "Generating code", + FixingCode = "Fixing code", RunningCode = "Running code", UploadingFile = "Uploading file", - Idle = "Idle", + Idle = "Ready", } export default function Chat(props: { waitingForSystem: WaitingStates; chatScrollRef: RefObject; messages: Array; + showCode: boolean; }) { return ( - <> -
- {props.messages.map((message, index) => { - return ( - - ); - })} - {props.waitingForSystem != WaitingStates.Idle ? ( +
+ {props.messages.map((message, index) => { + return ( - ) : null} -
- + ); + })} + {props.waitingForSystem != WaitingStates.Idle ? ( + + ) : null} +
); } diff --git a/frontend/src/components/Documentation.css b/frontend/src/components/Documentation.css new file mode 100644 index 00000000..66c28da2 --- /dev/null +++ b/frontend/src/components/Documentation.css @@ -0,0 +1,4 @@ +label.header { + padding: 0.5rem 0; + font-size: 1.2rem; +} diff --git a/frontend/src/components/Documentation.tsx b/frontend/src/components/Documentation.tsx new file mode 100644 index 00000000..8995ebc4 --- /dev/null +++ b/frontend/src/components/Documentation.tsx @@ -0,0 +1,134 @@ +import "./Documentation.css"; +import { useState } from "react"; +import FormControl from '@mui/material/FormControl'; +import Button from '@mui/material/Button'; +import Stack from '@mui/material/Stack'; +import Dialog from '@mui/material/Dialog'; +import DialogActions from '@mui/material/DialogActions'; +import DialogContent from '@mui/material/DialogContent'; +import IconButton from '@mui/material/IconButton'; +import CloseIcon from '@mui/icons-material/Close'; +import ReactPlayer from 'react-player'; +import ReactMarkdown from 'react-markdown'; +import ReceiptLongIcon from '@mui/icons-material/ReceiptLong'; +import VideoChatIcon from '@mui/icons-material/VideoChat'; +import ListAltIcon from '@mui/icons-material/ListAlt'; +import demo_video from "../../public/assets/GPT Code UI.mp4"; +import disclaimer from "../../public/assets/Disclaimer.md" +import changelog from "../../public/assets/Changelog.md" + + +export default function Documentation() { + const [demoDialogOpen, setDemoDialogOpen] = useState(false); + const [disclaimerDialogOpen, setDisclaimerDialogOpen] = useState(true); + const [changelogDialogOpen, setChangelogDialogOpen] = useState(false); + + return ( + <> + setDemoDialogOpen(false) } + maxWidth={false} + > + + + + + + setDemoDialogOpen(false) } + sx={{ + position: 'absolute', + right: 8, + top: 8, + color: '#ccc', + }} + > + + + + + setDisclaimerDialogOpen(false) } + maxWidth={false} + > + + + + + + + + + + + setDisclaimerDialogOpen(false) } + sx={{ + position: 'absolute', + right: 8, + top: 8, + color: '#ccc', + }} + > + + + + + setChangelogDialogOpen(false) } + maxWidth={false} + > + + + + + + + + + setChangelogDialogOpen(false) } + sx={{ + position: 'absolute', + right: 8, + top: 8, + color: '#ccc', + }} + > + + + + + + + + + + + + + + ); +} diff --git a/frontend/src/components/Foundry.tsx b/frontend/src/components/Foundry.tsx new file mode 100644 index 00000000..a72c78de --- /dev/null +++ b/frontend/src/components/Foundry.tsx @@ -0,0 +1,134 @@ +import { useState, useEffect } from "react"; + +import FormControl from '@mui/material/FormControl'; +import FileOpenIcon from '@mui/icons-material/FileOpen'; +import FolderOpenIcon from '@mui/icons-material/FolderOpen'; +import DriveFolderUploadIcon from '@mui/icons-material/DriveFolderUpload'; +import Alert from '@mui/material/Alert'; +import Dialog from '@mui/material/Dialog'; +import DialogTitle from '@mui/material/DialogTitle'; +import DialogContent from '@mui/material/DialogContent'; +import TextField from '@mui/material/TextField'; +import List from '@mui/material/List'; +import ListItem from '@mui/material/ListItem'; +import ListItemAvatar from '@mui/material/ListItemAvatar'; +import ListItemButton from '@mui/material/ListItemButton'; +import ListItemText from '@mui/material/ListItemText'; +import Avatar from '@mui/material/Avatar'; +import useLocalStorage from "use-local-storage"; +import Config from "../config"; + + +export type FoundryItem = { + name: string; + absolute_path: string; + rid: string; +} + +export type FoundryDir = { + self: FoundryItem; + parent: FoundryItem, + children: FoundryItem[], +} + + +export default function Foundry(props: { + onSelectFoundryDataset: (name: string) => void; } +) { + const [foundryDialogOpen, setFoundryDialogOpen] = useState(false); + const [foundryFolder, setFoundryFolder] = useLocalStorage('foundryFolder', undefined); + const [foundryDir, setFoundryDir] = useState(undefined); + + const getFoundryDir = async (folder: string | undefined) => { + try { + const params = folder != undefined ? new URLSearchParams({folder: folder}) : ''; + const response = await fetch(`${Config.WEB_ADDRESS}/foundry_files?${params}`); + + if (response.ok) { + const json = await response.json(); + const fd: FoundryDir = json; + if (folder == undefined) { + setFoundryFolder(fd.self.absolute_path); + } + setFoundryDir(fd); + } else { + setFoundryDir(undefined); + } + } catch (e) { + console.error(e); + setFoundryDir(undefined); + } + }; + + useEffect(() => { + getFoundryDir(foundryFolder); + }, [foundryFolder]); + + + const handleFoundryDialogClose = (item: FoundryItem) => { + if (isFolder(item.rid)) { + setFoundryFolder(item.absolute_path); + } else { + props.onSelectFoundryDataset(item.rid); + setFoundryDialogOpen(false); + } + }; + + const isFolder = (rid: string) => { + return rid.includes('ri.compass.main.folder'); + } + + return <> + setFoundryDialogOpen(false) } fullWidth maxWidth="sm"> + Select Foundry Dataset + + + { setFoundryFolder(e.target.value); }} + /> + + {foundryDir != undefined && + + + handleFoundryDialogClose(foundryDir.parent) }> + + + + + + + + + + {foundryDir.children.map((item) => ( + + handleFoundryDialogClose(item) }> + + + { isFolder(item.rid) ? : } + + + + + + ))} + + } + {foundryDir != undefined && foundryDir.children.length == 0 && + No datasets found in folder + } + {foundryDir == undefined && + Access to folder failed. Does it exist? Do you have access permissions? + } + + + + + +} diff --git a/frontend/src/components/Input.css b/frontend/src/components/Input.css index acbcaeba..d595c87f 100644 --- a/frontend/src/components/Input.css +++ b/frontend/src/components/Input.css @@ -15,7 +15,7 @@ textarea:focus { outline: none } -form.file-upload button, button.send { +form.file-upload button, form.file-open button, button.send { border: 0; background: #eee; margin: 0.5rem; @@ -25,11 +25,11 @@ form.file-upload button, button.send { height: fit-content; } -form.file-upload button { +form.file-upload button, form.file-open button { margin-right: 0; } -form.file-upload svg, button.send svg { +form.file-upload svg, form.file-open svg, button.send svg { margin-top: 3px; width: 20px; height: auto; @@ -53,4 +53,4 @@ svg { .input-holder.focused { border: rgba(0,0,0,.3) 1px solid; -} \ No newline at end of file +} diff --git a/frontend/src/components/Input.tsx b/frontend/src/components/Input.tsx index d2b23cb4..886a02d2 100644 --- a/frontend/src/components/Input.tsx +++ b/frontend/src/components/Input.tsx @@ -1,32 +1,34 @@ -import { useRef, useState } from "react"; +import { useRef, useState, KeyboardEvent, MouseEvent, ChangeEvent } from "react"; import FileUploadIcon from "@mui/icons-material/FileUpload"; import SendIcon from "@mui/icons-material/Send"; import TextareaAutosize from "react-textarea-autosize"; import Config from "../config"; +import Foundry from "./Foundry"; import "./Input.css"; +import { MessageDict } from "../App" -export default function Input(props: { onSendMessage: any, onStartUpload: any, onCompletedUpload: any }) { - let fileInputRef = useRef(null); - let [inputIsFocused, setInputIsFocused] = useState(false); - let [userInput, setUserInput] = useState(""); +export default function Input(props: { + Messages: MessageDict[], + onSendMessage: (msg: string) => void, + onStartUpload: (filename: string) => void, + onCompletedUpload: (msg: string) => void, + onSelectFoundryDataset: (name: string) => void; } +) { - const handleInputFocus = () => { - setInputIsFocused(true); - }; - - const handleInputBlur = () => { - setInputIsFocused(false); - }; + const fileInputRef = useRef(null); + const [inputIsFocused, setInputIsFocused] = useState(false); + const [userInput, setUserInput] = useState(''); + const [messageReplay, setMessageReplay] = useState(0); - const handleUpload = (e: any) => { + const handleUpload = (e: MouseEvent) => { e.preventDefault(); fileInputRef.current?.click(); }; - const handleFileChange = async (e: any) => { - if (e.target.files.length > 0) { + const handleFileChange = async (e: ChangeEvent) => { + if (e.target.files != null && e.target.files.length > 0) { const file = e.target.files[0]; // Create a new FormData instance @@ -55,27 +57,53 @@ export default function Input(props: { onSendMessage: any, onStartUpload: any, o } } }; - + const handleSendMessage = async () => { + setMessageReplay(0); props.onSendMessage(userInput); setUserInput(""); } - const handleInputChange = (e: any) => { - setUserInput(e.target.value); - }; + const handleArrow = async (dir: number) => { + let newMessage = messageReplay; + while (newMessage + dir < 1 && newMessage + dir > -props.Messages.length) { + newMessage = newMessage + dir; + if (newMessage === 0) { + setUserInput(""); + setMessageReplay(newMessage); + break; + } else if (props.Messages[props.Messages.length + newMessage].role === 'user') { + setUserInput(props.Messages[props.Messages.length + newMessage].text); + setMessageReplay(newMessage); + break; + } + } + } - const handleKeyDown = (e: any) => { + const handleKeyDown = (e: KeyboardEvent) => { if (e.key === "Enter" && e.shiftKey === false) { - e.preventDefault(); - handleSendMessage(); + e.preventDefault(); + handleSendMessage(); + } else if (e.key === 'ArrowUp' && e.altKey === true) { + e.preventDefault(); + handleArrow(-1); + } else if (e.key === 'ArrowDown' && e.altKey === true) { + e.preventDefault(); + handleArrow(1); } }; return (
+ +
+ + +
+ setInputIsFocused(true) } + onBlur={ () => setInputIsFocused(false) } + onChange={ (e) => setUserInput(e.target.value) } onKeyDown={handleKeyDown} value={userInput} rows={1} placeholder="Send a message" /> + +
); diff --git a/frontend/src/components/Kernel.css b/frontend/src/components/Kernel.css new file mode 100644 index 00000000..66c28da2 --- /dev/null +++ b/frontend/src/components/Kernel.css @@ -0,0 +1,4 @@ +label.header { + padding: 0.5rem 0; + font-size: 1.2rem; +} diff --git a/frontend/src/components/Kernel.tsx b/frontend/src/components/Kernel.tsx new file mode 100644 index 00000000..d322926e --- /dev/null +++ b/frontend/src/components/Kernel.tsx @@ -0,0 +1,112 @@ +import "./Kernel.css"; +import { WaitingStates } from "./Chat"; +import Button from '@mui/material/Button'; +import Typography from '@mui/material/Typography'; +import Stack from '@mui/material/Stack'; +import DeleteIcon from '@mui/icons-material/Delete'; +import CancelIcon from '@mui/icons-material/Cancel'; +import RestartAltIcon from '@mui/icons-material/RestartAlt'; +import NewReleasesIcon from '@mui/icons-material/NewReleases'; +import HourglassBottomIcon from '@mui/icons-material/HourglassBottom'; +import TerminalIcon from '@mui/icons-material/Terminal'; +import EngineeringIcon from '@mui/icons-material/Engineering'; +import FileUploadIcon from '@mui/icons-material/FileUpload'; + + +function getIcon(state: WaitingStates) { + // Animations adapted from https://codepen.io/nelledejones/pen/gOOPWrK + switch (state) { + case WaitingStates.SessionTimeout: + return ; + case WaitingStates.WaitingForKernel: + return ; + case WaitingStates.GeneratingCode: + case WaitingStates.FixingCode: + return ; + case WaitingStates.RunningCode: + return ; + case WaitingStates.UploadingFile: + return ; + case WaitingStates.Idle: + return <>; + } +} + +export default function Kernel(props: { + state: WaitingStates; + onClearChat: React.MouseEventHandler; + onInterruptKernel: React.MouseEventHandler; + onResetKernel: React.MouseEventHandler; +}) { + return ( + <> + + + + {getIcon(props.state)} + + + + {props.state} + + + + + + + + ); +} diff --git a/frontend/src/components/Logo.css b/frontend/src/components/Logo.css new file mode 100644 index 00000000..d8471a14 --- /dev/null +++ b/frontend/src/components/Logo.css @@ -0,0 +1,39 @@ +.logo { + text-align: center; + font-weight: bold; + font-size: 1.5rem; + margin-top: 1rem; +} + +.github { + color: #999; + font-size: 0.8rem; +} + +.github a { + color: #999; +} + +a:hover { + color: rgb(150, 215, 210); +} + +.logo svg { + color: #fff; + width: 35px; + height: 35px; + margin-right: 5px; + margin-bottom: -8px; +} + +.wrapper { + overflow:auto; +} + +.header { + float: left; +} + +.headline { + margin: 0 10px; +} diff --git a/frontend/src/components/Logo.tsx b/frontend/src/components/Logo.tsx new file mode 100644 index 00000000..0591c593 --- /dev/null +++ b/frontend/src/components/Logo.tsx @@ -0,0 +1,26 @@ +import "./Logo.css"; +import logo from "../../public/assets/assistant.svg"; + + +export default function Logo() { + return ( + <> + + + ); +} diff --git a/frontend/src/components/Settings.css b/frontend/src/components/Settings.css new file mode 100644 index 00000000..66c28da2 --- /dev/null +++ b/frontend/src/components/Settings.css @@ -0,0 +1,4 @@ +label.header { + padding: 0.5rem 0; + font-size: 1.2rem; +} diff --git a/frontend/src/components/Settings.tsx b/frontend/src/components/Settings.tsx new file mode 100644 index 00000000..cd68ee88 --- /dev/null +++ b/frontend/src/components/Settings.tsx @@ -0,0 +1,143 @@ +import "./Settings.css"; +import { useEffect } from "react"; +import InputLabel from '@mui/material/InputLabel'; +import Box from '@mui/material/Box'; +import OutlinedInput from '@mui/material/OutlinedInput'; +import Chip from '@mui/material/Chip'; +import MenuItem from '@mui/material/MenuItem'; +import FormControl from '@mui/material/FormControl'; +import CancelIcon from "@mui/icons-material/Cancel"; +import CheckIcon from "@mui/icons-material/Check"; +import Select, { SelectChangeEvent } from '@mui/material/Select'; +import Stack from '@mui/material/Stack'; +import FormGroup from '@mui/material/FormGroup'; +import FormControlLabel from '@mui/material/FormControlLabel'; +import Switch from '@mui/material/Switch'; +import Tooltip from '@mui/material/Tooltip'; + + +export default function Settings(props: { + models: Array<{ name: string; displayName: string }>; + selectedModel: string; + onSelectModel: (val: string) => void; + toggledOptions: string[]; + onToggledOptions: (val: string[]) => void; + showCode: boolean; + onShowCode: (val: boolean) => void; + autoFix: number; + onAutoFix: (val: number) => void; +}) { + const options: Array<{ name: string; displayName: string }> = [ + {name: 'svg', displayName: 'Vector Graphics'}, + ]; + + const models = props.models; + const selectedModel = props.selectedModel; + const onSelectModel = props.onSelectModel; + + useEffect(() => { + if (models.length) { + if (undefined === models.find(e => e.name === selectedModel)) { + onSelectModel(models[0].name); + } else { + onSelectModel(selectedModel); + } + } + }, [models, selectedModel, onSelectModel]); + + return ( + <> + + + + + + {props.onShowCode(checked)} } + /> + } + label="Show Python Code" + /> + + 0} + onChange={(_ev, checked) => {props.onAutoFix(checked ? 3 : 0)} } + /> + } + label="Autofix Execution Errors" + /> + + + Options + + + + Model + + + + + + ); +} diff --git a/frontend/src/components/Sidebar.css b/frontend/src/components/Sidebar.css deleted file mode 100644 index d80dfdd6..00000000 --- a/frontend/src/components/Sidebar.css +++ /dev/null @@ -1,68 +0,0 @@ -.sidebar { - min-width: 260px; - background: #202123; - height: 100%; - display: flex; - flex-direction: column; - justify-content: space-between; - padding: 0.75rem; - color: #fff; -} - -.logo { - text-align: center; - font-weight: bold; - font-size: 1.5rem; - margin-top: 1rem -} - -.github a { - color: #999; - font-size: 0.8rem; -} - -a:hover { - color: #fff; -} - -.logo svg { - color: #fff; - width: 35px; - height: 35px; - margin-right: 5px; - margin-bottom: -8px; -} - -.settings { - display: flex; - flex-direction: column; -} - -button, select { - padding: 0.8rem; - border: none; - border-radius: .25rem; - background-color: #333; - color: #fff; -} - -select option { - padding: 0.8rem; -} - -button { - cursor: pointer; - margin-bottom: 0.5rem; - background: #74a89b; -} - -label { - font-size: 0.9rem; - color: #999; - margin-top: .5rem; - margin-bottom: .25rem; -} - -label.header { - font-size: 1.2rem; -} \ No newline at end of file diff --git a/frontend/src/components/Sidebar.tsx b/frontend/src/components/Sidebar.tsx deleted file mode 100644 index be1e80e8..00000000 --- a/frontend/src/components/Sidebar.tsx +++ /dev/null @@ -1,49 +0,0 @@ -import AssistantIcon from '@mui/icons-material/Assistant'; - -import "./Sidebar.css"; - -export default function Sidebar(props: { - models: Array<{ name: string; displayName: string }>; - selectedModel: string; - onSelectModel: any; - setOpenAIKey: any; - openAIKey: string; -}) { - const handleOpenAIButtonClick = () => { - const key = prompt("Please enter your OpenAI key", props.openAIKey); - if (key != null) { - props.setOpenAIKey(key); - } - }; - return ( - <> -
- -
- - - - - -
-
- - ); -} diff --git a/frontend/src/config.tsx b/frontend/src/config.tsx index 955939f8..6a4e064d 100644 --- a/frontend/src/config.tsx +++ b/frontend/src/config.tsx @@ -1,8 +1,8 @@ -let resolvedWebAddress = import.meta.env.VITE_WEB_ADDRESS ? import.meta.env.VITE_WEB_ADDRESS : ""; +const resolvedWebAddress = import.meta.env.VITE_WEB_ADDRESS ? import.meta.env.VITE_WEB_ADDRESS : ""; const Config = { WEB_ADDRESS: resolvedWebAddress, API_ADDRESS: resolvedWebAddress + "/api" } -export default Config; \ No newline at end of file +export default Config; diff --git a/frontend/src/index.css b/frontend/src/index.css index f2f599a7..0075a6f7 100644 --- a/frontend/src/index.css +++ b/frontend/src/index.css @@ -35,5 +35,5 @@ h1 { @media (prefers-color-scheme: light) { - + } diff --git a/frontend/src/vite-env.d.ts b/frontend/src/vite-env.d.ts index 11f02fe2..cb6e7e8d 100644 --- a/frontend/src/vite-env.d.ts +++ b/frontend/src/vite-env.d.ts @@ -1 +1,2 @@ /// +declare module "*.md"; diff --git a/frontend/tsconfig.json b/frontend/tsconfig.json index c81ef9f3..62327659 100644 --- a/frontend/tsconfig.json +++ b/frontend/tsconfig.json @@ -17,7 +17,9 @@ "strict": true, "noUnusedLocals": true, "noUnusedParameters": true, - "noFallthroughCasesInSwitch": true + "noFallthroughCasesInSwitch": true, + + "types": ["node"] }, "include": ["src"], "references": [{ "path": "./tsconfig.node.json" }] diff --git a/frontend/tsconfig.node.json b/frontend/tsconfig.node.json index 42872c59..b940375d 100644 --- a/frontend/tsconfig.node.json +++ b/frontend/tsconfig.node.json @@ -4,7 +4,8 @@ "skipLibCheck": true, "module": "ESNext", "moduleResolution": "bundler", - "allowSyntheticDefaultImports": true + "allowSyntheticDefaultImports": true, + "types": ["node"] }, "include": ["vite.config.ts"] } diff --git a/frontend/vite.config.ts b/frontend/vite.config.ts index 861b04b3..3396d378 100644 --- a/frontend/vite.config.ts +++ b/frontend/vite.config.ts @@ -3,5 +3,17 @@ import react from '@vitejs/plugin-react-swc' // https://vitejs.dev/config/ export default defineConfig({ - plugins: [react()], + plugins: [ + react(), + // Custom plugin to load markdown files + { + name: "markdown-loader", + transform(code, id) { + if (id.slice(-3) === ".md") { + // For .md files, get the raw content + return `export default ${JSON.stringify(code)};`; + } + } + } + ], }) diff --git a/gpt_code_ui/function_library/__init__.py b/gpt_code_ui/function_library/__init__.py new file mode 100644 index 00000000..daf96d32 --- /dev/null +++ b/gpt_code_ui/function_library/__init__.py @@ -0,0 +1,11 @@ +from typing import Callable, Dict + +from .examples import generate_derivate_molecules, predict_solubility +from .mol_utils import draw_smiles + +# TODO (TP): Create better, more scalable way to discover functions +AVAILABLE_FUNCTIONS: Dict[str, Callable] = { + "predict_solubility": predict_solubility, + "generate_derivate_molecules": generate_derivate_molecules, + "draw_smiles": draw_smiles, +} diff --git a/gpt_code_ui/function_library/examples.py b/gpt_code_ui/function_library/examples.py new file mode 100644 index 00000000..63d25fa0 --- /dev/null +++ b/gpt_code_ui/function_library/examples.py @@ -0,0 +1,34 @@ +""" A library of example functions that are to be understood by an LLM.""" +import random + +from rdkit import Chem + + +def predict_solubility(smiles: str) -> float: + """Predict the solubility of a molecule from its SMILES string. + + Args: + smiles: SMILES string of the molecule. + + Returns: + The predicted solubility. + """ + + # return a random number between 0 and 1 + return random.random() + + +def generate_derivate_molecules(smiles: str, n: int = 10) -> list[str]: + """Generate a list of molecules that are similar to the input molecule. + + Args: + smiles: SMILES string of the molecule. + n: Number of molecules to generate. + + Returns: + A list of SMILES strings of molecules that are similar to the input molecule. + """ + + mol = Chem.MolFromSmiles(smiles) + output = [Chem.MolToSmiles(mol, doRandom=True) for _ in range(n)] + return output diff --git a/gpt_code_ui/function_library/mol_utils.py b/gpt_code_ui/function_library/mol_utils.py new file mode 100644 index 00000000..638d9e08 --- /dev/null +++ b/gpt_code_ui/function_library/mol_utils.py @@ -0,0 +1,23 @@ +from typing import List + +from IPython.display import display +from rdkit import Chem +from rdkit.Chem import Draw + + +def draw_smiles(smiles_list: List[str], legends: List[str] = None, mols_per_row: int = 5) -> None: + """Draw a list of SMILES strings. + + Args: + smiles_list (List[str]): A list of SMILES strings. + legends (List[str], optional): A list of legend strings. Defaults to None. + mols_per_row (int, optional): Number of molecules per row. Defaults to 5. + """ + mols = Draw.MolsToGridImage( + [Chem.MolFromSmiles(smiles) for smiles in smiles_list], + molsPerRow=mols_per_row, + legends=legends, + useSVG=True, + ) + + display(mols) diff --git a/gpt_code_ui/function_library/parser.py b/gpt_code_ui/function_library/parser.py new file mode 100644 index 00000000..9e0bd3c8 --- /dev/null +++ b/gpt_code_ui/function_library/parser.py @@ -0,0 +1,38 @@ +import inspect +from dataclasses import dataclass +from typing import Any, Callable, List, Type + + +@dataclass +class Parameter: + name: str + type: Type + default: Any + + +@dataclass +class FunctionSignature: + name: str + doc_string: str | None + parameters: List[Parameter] + return_type: Type + + +def is_empty_default(value: Any) -> bool: + return value is inspect.Parameter.empty + + +def is_empty_annotation(value: Any) -> bool: + return value is inspect.Signature.empty + + +def get_function_signature(fun: Callable) -> FunctionSignature: + return FunctionSignature( + name=fun.__name__, + doc_string=fun.__doc__, + parameters=[ + Parameter(name=param.name, type=param.annotation, default=param.default) + for param in inspect.signature(fun).parameters.values() + ], + return_type=fun.__annotations__["return"], + ) diff --git a/gpt_code_ui/kernel_program/config.py b/gpt_code_ui/kernel_program/config.py index aa37c08f..43f29b6b 100644 --- a/gpt_code_ui/kernel_program/config.py +++ b/gpt_code_ui/kernel_program/config.py @@ -1,18 +1,47 @@ import logging import os +import pathlib +import sys -IDENT_KERNEL_MANAGER = "kernel_manager" -IDENT_MAIN = "main" +from dotenv import load_dotenv + +load_dotenv(".env") + +IDENT_MAIN = "kernel_program.main" KERNEL_PID_DIR = "process_pids" -SNAKEMQ_PORT = int(os.environ.get("SNAKEMQ_PORT", 8765)) +NO_INTERNET_AVAILABLE = os.environ.get("NO_INTERNET_AVAILABLE", "FALSE")[0] in ( + "1", + "t", + "T", +) +KERNEL_APP_PORT = int(os.environ.get("API_PORT", 5010)) +KERNEL_BASE_DIR = pathlib.Path(os.environ.get("KERNEL_BASE_DIR", "workspace")) +if not KERNEL_BASE_DIR.is_absolute(): + KERNEL_BASE_DIR = KERNEL_BASE_DIR.absolute() # assuming it is relative to the current working dir +KERNEL_BASE_DIR.mkdir(parents=True, exist_ok=True) +BASE_VENV = KERNEL_BASE_DIR / "kernel.base" + +WATCHDOG_INTERVAL_S = float(os.getenv("KERNEL_MANAGER_WATCHDOG_INTERVAL_S", 60)) +assert WATCHDOG_INTERVAL_S > 0 +KERNEL_TIMEOUT_S = float(os.getenv("KERNEL_MANAGER_TIMEOUT_S", 3600)) +assert KERNEL_TIMEOUT_S > 0 + + +def get_logger(name): + logger = logging.getLogger(name) + logger.setLevel(logging.DEBUG) + + if not logger.handlers: + logFormatter = logging.Formatter(fmt="%(asctime)s [%(levelname)8s %(name)s] %(message)s") + consoleHandler = logging.StreamHandler(sys.stdout) + consoleHandler.setLevel(logging.DEBUG if "DEBUG" in os.environ else logging.WARNING) + consoleHandler.setFormatter(logFormatter) + logger.addHandler(consoleHandler) -def get_logger(): - logging.basicConfig( - format="[%(asctime)s] %(levelname)s [%(name)s:%(lineno)s] %(message)s" - ) + file_handler = logging.FileHandler("app.log", mode="a") + file_handler.setLevel(logging.DEBUG if "DEBUG" in os.environ else logging.WARNING) + file_handler.setFormatter(logFormatter) + logger.addHandler(file_handler) - logger = logging.getLogger(__name__) - if "DEBUG" in os.environ: - logger.setLevel(logging.DEBUG) - return logger \ No newline at end of file + return logger diff --git a/gpt_code_ui/kernel_program/kernel.py b/gpt_code_ui/kernel_program/kernel.py new file mode 100644 index 00000000..ad73183a --- /dev/null +++ b/gpt_code_ui/kernel_program/kernel.py @@ -0,0 +1,301 @@ +import json +import os +import queue +import shutil +import subprocess +import sys +import time +from pathlib import Path +from threading import Lock, Thread +from typing import Dict + +from jupyter_client import BlockingKernelClient + +import gpt_code_ui.kernel_program.config as config +from gpt_code_ui.kernel_program.stoppable_thread import StoppableThread +from gpt_code_ui.kernel_program.utils import create_derived_venv, escape_ansi + + +class FlushingThread(StoppableThread): + def __init__(self, flush_kernel_msgs, *args, **kwargs): + super().__init__(*args, **kwargs) + self._flush = flush_kernel_msgs + + def run(self): + while not self.stopped(timeout=1.0): + self._flush() + + +class Kernel: + def __init__(self, session_id: str): + self._logger = config.get_logger(f"Kernel {session_id}") + self._session_id = session_id + self._workdir = config.KERNEL_BASE_DIR / f"kernel.{self._session_id}" + self._result_queue: queue.Queue[Dict[str, str]] = queue.Queue() + self._status = "stopped" + self._kernel_client = None + self._kernel_process = None + self._flusher_thread = None + self._flusher_lock = Lock() + self._startup_thread = None + self._start() + + def _start(self): + self._startup_thread = Thread( + name=f"Kernel {self._session_id} startup procedure.", + target=self._start_impl, + ) + self._startup_thread.start() + + def _ensure_started(self): + self._startup_thread.join() + + def _start_impl(self): + if self.status != "stopped": + self._logger.error(f"Trying to start a kernel that is not stopped but has status {self.status} instead.") + + self._logger.info(f"Start of kernel with workdir {self._workdir} has been requested.") + + self._status = "starting" + + # Cleanup potential leftovers + shutil.rmtree(self._workdir, ignore_errors=True) + os.makedirs(self._workdir) + + kernel_env: Dict[ + str, str + ] = {} # instead of os.environ.copy() to prevent leaking information from the runtime into the kernel + kernel_connection_file = self._workdir / "kernel_connection_file.json" + + if config.NO_INTERNET_AVAILABLE: + # cannot install packages, so no need for a dedicated venv + kernel_python_executable = sys.executable + self._logger.info( + f"Skipped creating kernel venv as there is no internet connection. Using python binary {kernel_python_executable}." + ) + else: + kernel_venv_dir = self._workdir / "venv" + kernel_venv_bindir, kernel_python_executable = create_derived_venv(config.BASE_VENV, kernel_venv_dir) + kernel_env["PATH"] = str(kernel_venv_bindir) + os.pathsep + kernel_env.get("PATH", "") + self._logger.info( + f"Created kernel venv at {kernel_venv_dir} with python binary {kernel_python_executable}." + ) + + # ensure that the function library is available # TODO: this also allows acessing gpt_code_ui and frontend :-() + kernel_env["PYTHONPATH"] = ( + str(Path(__file__).parent.parent.resolve()) + os.pathsep + kernel_env.get("PYTHONPATH", "") + ) + + # start the kernel using the virtual env python executable + kernel_code = f"""from ipykernel.kernelapp import IPKernelApp +IPKernelApp.launch_instance( + argv=[ + "--IPKernelApp.connection_file", + "{kernel_connection_file}", + "--matplotlib=inline", + f"--ipython-dir={self._workdir}", + "--quiet", + ] +)""" + + self._kernel_process = subprocess.Popen( + [kernel_python_executable, "-c", kernel_code], + cwd=self._workdir, + env=kernel_env, + ) + + self._logger.info(f"Kernel process has started. PID is {self._kernel_process.pid}.") + + # Wait for kernel connection file to be written + while True: + try: + with open(kernel_connection_file, "r") as fp: + json.load(fp) + except (FileNotFoundError, json.JSONDecodeError): + # Either file was not yet there or incomplete (then JSON parsing failed) + time.sleep(0.1) + else: + break + + # Client + self._kernel_client = BlockingKernelClient(connection_file=str(kernel_connection_file)) + self._kernel_client.load_connection_file() + self._kernel_client.start_channels() + self._kernel_client.wait_for_ready() + self._kernel_client.execute( + """from function_library import AVAILABLE_FUNCTIONS +for function_name, function in AVAILABLE_FUNCTIONS.items(): + locals()[function_name] = function +""" + ) + self._logger.info(f"Kernel client has started. Connection details found in {kernel_connection_file}.") + + self._flusher_thread = FlushingThread( + name=f"Kernel Message Flusher {self._session_id}", flush_kernel_msgs=self.flush_kernel_msgs + ) + self._flusher_thread.start() + + self._logger.info("Message Flusher thread started.") + + self._status = "idle" + + @property + def status(self): + return self._status + + def set_status(self, status: str): + self._status = status + + def __del__(self): + if self._status != "stopped": + self.terminate() + + def restart(self): + self._logger.info("Restarting kernel.") + self.terminate() + self._start() + + def interrupt(self): + self._logger.info("Interrupting kernel execution.") + msg = self._kernel_client.session.msg("interrupt_request", {}) + self._kernel_client.control_channel.send(msg) + return msg["header"]["msg_id"] + + def terminate(self): + self._ensure_started() + self._logger.info("Termination of kernel has been requested.") + self._status = "stopping" + self._logger.info("Stopping message flusher thread has been requested.") + self._flusher_thread.stop(wait=True) + self._logger.info("Stopping kernel client.") + self._kernel_client.shutdown() + self._logger.info(f"Terminating kernel process {self._kernel_process.pid}") + self._kernel_process.kill() + self._logger.info(f"Removing kernel work directory {self._workdir}") + shutil.rmtree(self._workdir, ignore_errors=True) + self._status = "stopped" + self._logger.info("Kernel terminated.") + + def _put_message(self, value, message_type): + self._result_queue.put({"value": value, "type": message_type}) + + def flush_kernel_msgs(self, tries=1, timeout=0.2): + with self._flusher_lock: + self._ensure_started() + + try: + hit_empty = 0 + + while True: + try: + msg = self._kernel_client.get_iopub_msg(timeout=timeout) + msg_type = msg["msg_type"] + msg_content = msg["content"] + + self._logger.debug(f'Received "{msg_type}": {msg_content}') + + if msg_type == "status": + self._status = msg_content["execution_state"] + # self._put_message(msg_content["execution_state"], message_type="message_status") + + elif msg_type == "execute_input": + pass # do not want to mirror the input back + + elif msg_type in ("execute_result", "display_data"): + content_data = msg_content["data"] + + if "image/png" in content_data: + self._put_message(content_data["image/png"], message_type="image/png") + elif "image/jpeg" in content_data: + self._put_message(content_data["image/jpeg"], message_type="image/jpeg") + elif "image/svg+xml" in content_data: + self._put_message(content_data["image/svg+xml"], message_type="image/svg+xml") + elif "application/3dmoljs_load.v0" in content_data: + # this case must be before "text/html"as the py3Dmol payload contains both options + self._put_message( + content_data["application/3dmoljs_load.v0"], + message_type="application/3dmoljs_load.v0", + ) + elif "text/html" in content_data: + self._put_message(content_data["text/html"], message_type="text/html") + elif "text/plain" in content_data: + self._put_message( + content_data["text/plain"], + message_type="message_raw" if msg_type == "execute_result" else "message", + ) + else: + self._put_message( + f"Unsupported {msg_type}: {content_data}", + message_type="message_error", + ) + + elif msg_type == "stream": + self._put_message(msg_content["text"], message_type="message") + + elif msg_type == "error": + self._put_message( + escape_ansi("\n".join(msg_content["traceback"])), + message_type="message_error", + ) + + else: + self._logger.debug(f"Unexpected message type {msg_type}") + + except queue.Empty: + hit_empty += 1 + if hit_empty == tries: + # Empty queue for one second, give back control + break + except (ValueError, IndexError): + # get_iopub_msg suffers from message fetch errors + break + except Exception as e: + self._logger.exception(e) + break + except Exception as e: + self._logger.exception(e) + + def execute(self, command): + self._ensure_started() + + self._logger.debug("Executing command: %s" % command) + + code = command.get("command", "") + options = command.get("options", []) + + if "svg" in options: + code = f"""%matplotlib inline +import matplotlib_inline +matplotlib_inline.backend_inline.set_matplotlib_formats('svg') +del matplotlib_inline +import matplotlib.pyplot as plt +plt.rcParams['svg.fonttype'] = 'none' +del plt +import warnings +warnings.filterwarnings("ignore", message="Glyph.*missing from current font.") +del warnings +import logging +logging.getLogger('matplotlib.font_manager').setLevel(logging.ERROR) +del logging +{code}""" + else: + code = f"""%matplotlib inline +import matplotlib_inline +matplotlib_inline.backend_inline.set_matplotlib_formats('png') +del matplotlib_inline +{code}""" + + self._kernel_client.execute(code, allow_stdin=False) + # Try direct flush with default wait (0.2) + self.flush_kernel_msgs() + + def get_results(self): + return [self._result_queue.get() for _ in range(self._result_queue.qsize())] + + @property + def workdir(self) -> str: + return str(self._workdir) + + @property + def session_id(self) -> str: + return self._session_id diff --git a/gpt_code_ui/kernel_program/kernel_manager.py b/gpt_code_ui/kernel_program/kernel_manager.py index 93f6d799..ef43a46d 100644 --- a/gpt_code_ui/kernel_program/kernel_manager.py +++ b/gpt_code_ui/kernel_program/kernel_manager.py @@ -1,224 +1,57 @@ -import sys -import subprocess -import os -import queue -import json -import signal -import pathlib import threading -import time -import atexit -import traceback +from typing import Dict, List -from time import sleep -from jupyter_client import BlockingKernelClient +from gpt_code_ui.kernel_program import config # noqa: E402 +from gpt_code_ui.kernel_program.kernel import Kernel # noqa: E402 -from dotenv import load_dotenv -load_dotenv('.env') -import gpt_code_ui.kernel_program.utils as utils -import gpt_code_ui.kernel_program.config as config +class KernelManager: + def __init__(self): + self._logger = config.get_logger("Kernel Manager") + self._kernels: Dict[str, Kernel] = {} + self._kernels_lock = threading.Lock() -# Set up globals -messaging = None -logger = config.get_logger() + self._logger.info("Creating Kernel Manager") + def purge_kernels(self, session_ids: List[str]): + self._kernels_lock.acquire() + try: + for session_id in session_ids: + if (kernel := self._kernels.get(session_id, None)) is not None: + self._logger.info(f"Purging kernel for session {session_id}.") + kernel.terminate() + del self._kernels[session_id] + finally: + self._kernels_lock.release() -class FlushingThread(threading.Thread): - def __init__(self, kc, kill_sema): - threading.Thread.__init__(self) - self.kill_sema = kill_sema - self.kc = kc + def items(self): + return self._kernels.items() - def run(self): - logger.info("Running message flusher...") - while True: + def get(self, session_id: str, force_recreate: bool = False) -> Kernel: + if force_recreate: + self._logger.info(f"Removing kernel {session_id} to force recreation.") - if self.kill_sema.acquire(blocking=False): - logger.info("Sema was released to kill thread") - sys.exit() - - flush_kernel_msgs(self.kc) - time.sleep(1) - - -def cleanup_spawned_processes(): - print("Cleaning up kernels...") - for filename in os.listdir(config.KERNEL_PID_DIR): - fp = os.path.join(config.KERNEL_PID_DIR, filename) - if os.path.isfile(fp): - try: - pid = int(filename.split(".pid")[0]) - logger.debug("Killing process with pid %s" % pid) - os.remove(fp) - try: - if os.name == "nt": - os.kill(pid, signal.CTRL_BREAK_EVENT) - else: - os.kill(pid, signal.SIGKILL) - - # After successful kill, cleanup pid file - os.remove(fp) - - except Exception: - # Windows process killing is flaky - pass - except Exception as e: - logger.debug(e) - - -def start_snakemq(kc): - global messaging - - messaging, link = utils.init_snakemq(config.IDENT_KERNEL_MANAGER, "connect") - - def on_recv(conn, ident, message): - if ident == config.IDENT_MAIN: - message = json.loads(message.data.decode("utf-8")) - - if message["type"] == "execute": - logger.debug("Executing command: %s" % message["value"]) - kc.execute(message["value"]) - # Try direct flush with default wait (0.2) - flush_kernel_msgs(kc) - - messaging.on_message_recv.add(on_recv) - - start_flusher(kc) - - # Send alive - utils.send_json(messaging, {"type": "status", "value": "ready"}, config.IDENT_MAIN) - logger.info("Python kernel ready to receive messages!") - - logger.info("Starting snakemq loop") - - try: - link.loop() - except KeyboardInterrupt: - logger.info("Keyboard interrupt received, exiting...") - sys.exit(0) - except Exception as e: - logger.error("Error in snakemq loop: %s" % e) - sys.exit(1) - - -def start_flusher(kc): - # Start FlushMessenger - kill_sema = threading.Semaphore() - kill_sema.acquire() - t = FlushingThread(kc, kill_sema) - t.start() - - def end_thread(): - kill_sema.release() - - atexit.register(end_thread) - - -def send_message(message, message_type="message"): - utils.send_json( - messaging, {"type": message_type, "value": message}, config.IDENT_MAIN - ) - - -def flush_kernel_msgs(kc, tries=1, timeout=0.2): - try: - hit_empty = 0 - - while True: + self._kernels_lock.acquire() try: - msg = kc.get_iopub_msg(timeout=timeout) - if msg["msg_type"] == "execute_result": - if "text/plain" in msg["content"]["data"]: - send_message( - msg["content"]["data"]["text/plain"], "message_raw" - ) - if msg["msg_type"] == "display_data": - if "image/png" in msg["content"]["data"]: - # Convert to Slack upload - send_message( - msg["content"]["data"]["image/png"], - message_type="image/png", - ) - elif "text/plain" in msg["content"]["data"]: - send_message(msg["content"]["data"]["text/plain"]) - - elif msg["msg_type"] == "stream": - logger.debug("Received stream output %s" % msg["content"]["text"]) - send_message(msg["content"]["text"]) - elif msg["msg_type"] == "error": - send_message( - utils.escape_ansi("\n".join(msg["content"]["traceback"])), - "message_raw", - ) - except queue.Empty: - hit_empty += 1 - if hit_empty == tries: - # Empty queue for one second, give back control - break - except (ValueError, IndexError): - # get_iopub_msg suffers from message fetch errors - break - except Exception as e: - logger.debug(f"{e} [{type(e)}") - logger.debug(traceback.format_exc()) - break - except Exception as e: - logger.debug(f"{e} [{type(e)}") - + self._kernels[session_id].terminate() + del self._kernels[session_id] + finally: + self._kernels_lock.release() -def start_kernel(): - kernel_connection_file = os.path.join(os.getcwd(), "kernel_connection_file.json") - - if os.path.isfile(kernel_connection_file): - os.remove(kernel_connection_file) - if os.path.isdir(kernel_connection_file): - os.rmdir(kernel_connection_file) - - launch_kernel_script_path = os.path.join( - pathlib.Path(__file__).parent.resolve(), "launch_kernel.py" - ) - - os.makedirs('workspace/', exist_ok=True) - - kernel_process = subprocess.Popen( - [ - sys.executable, - launch_kernel_script_path, - "--IPKernelApp.connection_file", - kernel_connection_file, - "--matplotlib=inline", - "--quiet", - ], - cwd='workspace/' - ) - # Write PID for caller to kill - str_kernel_pid = str(kernel_process.pid) - os.makedirs(config.KERNEL_PID_DIR, exist_ok=True) - with open(os.path.join(config.KERNEL_PID_DIR, str_kernel_pid + ".pid"), "w") as p: - p.write("kernel") - - # Wait for kernel connection file to be written - while True: - if not os.path.isfile(kernel_connection_file): - sleep(0.1) - else: - # Keep looping if JSON parsing fails, file may be partially written + if session_id not in self._kernels: + self._kernels_lock.acquire() try: - with open(kernel_connection_file, 'r') as fp: - json.load(fp) - break - except json.JSONDecodeError: - pass - - # Client - kc = BlockingKernelClient(connection_file=kernel_connection_file) - kc.load_connection_file() - kc.start_channels() - kc.wait_for_ready() - return kc - - -if __name__ == "__main__": - kc = start_kernel() - start_snakemq(kc) \ No newline at end of file + # while waiting for the lock, the object already might have been created --> check again inside the lock + if session_id not in self._kernels: + self._logger.info(f"Kernel {session_id} does not exist. Creating it.") + self._kernels[session_id] = Kernel(session_id) + finally: + self._kernels_lock.release() + + return self._kernels[session_id] + + def terminate(self): + self._logger.info("Termination of kernel manager requested...") + all_sessions = list(self._kernels.keys()) + self.purge_kernels(all_sessions) + self._logger.info("Kernel manager terminated.") diff --git a/gpt_code_ui/kernel_program/launch_kernel.py b/gpt_code_ui/kernel_program/launch_kernel.py deleted file mode 100644 index d193051d..00000000 --- a/gpt_code_ui/kernel_program/launch_kernel.py +++ /dev/null @@ -1,4 +0,0 @@ -if __name__ == "__main__": - from ipykernel import kernelapp as app - - app.launch_new_instance() \ No newline at end of file diff --git a/gpt_code_ui/kernel_program/main.py b/gpt_code_ui/kernel_program/main.py index 401133ee..a86cb05a 100644 --- a/gpt_code_ui/kernel_program/main.py +++ b/gpt_code_ui/kernel_program/main.py @@ -1,160 +1,132 @@ -import os -import subprocess -import sys -import pathlib -import json +import atexit import logging -import time - -import asyncio -import json -import threading - -from queue import Queue +import sys +from datetime import datetime, timedelta +from functools import wraps -from flask import Flask, request, jsonify -from flask_cors import CORS # Import the CORS library +from flask import Flask, jsonify, request +from flask_cors import CORS -from dotenv import load_dotenv -load_dotenv('.env') +from gpt_code_ui.kernel_program import config # noqa: E402 +from gpt_code_ui.kernel_program.kernel import Kernel, StoppableThread # noqa: E402 +from gpt_code_ui.kernel_program.kernel_manager import KernelManager # noqa: E402 -import gpt_code_ui.kernel_program.kernel_manager as kernel_manager -import gpt_code_ui.kernel_program.config as config -import gpt_code_ui.kernel_program.utils as utils +kernel_manager = KernelManager() -APP_PORT = int(os.environ.get("API_PORT", 5010)) +class WatchdogThread(StoppableThread): + def __init__(self, kernel_manager, *args, **kwargs): + super().__init__(*args, **kwargs) + self._logger = config.get_logger("Watchdog Thread") + self._kernel_manager = kernel_manager -# Get global logger -logger = config.get_logger() + def run(self): + while not self.stopped(timeout=config.WATCHDOG_INTERVAL_S): + km = self._kernel_manager + timeout_limit = datetime.now() - timedelta(seconds=config.KERNEL_TIMEOUT_S) -# Note, only one kernel_manager_process can be active -kernel_manager_process = None + self._logger.info(f"Purging kernels accessed before {timeout_limit}") + expired_sessions = [] + for session_id, kernel in km.items(): + if hasattr(kernel, "last_access") and kernel.last_access < timeout_limit: + self._logger.info( + f"Kernel for session {session_id} expired, last access: {kernel.last_access} which was more than {config.KERNEL_TIMEOUT_S}s ago." + ) + expired_sessions.append(session_id) -# Use efficient Python queues to store messages -result_queue = Queue() -send_queue = Queue() + km.purge_kernels(expired_sessions) -messaging = None # We know this Flask app is for local use. So we can disable the verbose Werkzeug logger -log = logging.getLogger('werkzeug') -log.setLevel(logging.ERROR) +logging.getLogger("werkzeug").setLevel(logging.ERROR) -cli = sys.modules['flask.cli'] -cli.show_server_banner = lambda *x: None +cli = sys.modules["flask.cli"] +cli.show_server_banner = lambda *x: None # type: ignore app = Flask(__name__) CORS(app) -def start_kernel_manager(): - global kernel_manager_process - - kernel_manager_script_path = os.path.join( - pathlib.Path(__file__).parent.resolve(), "kernel_manager.py" - ) - kernel_manager_process = subprocess.Popen( - [sys.executable, kernel_manager_script_path] - ) - - # Write PID as .pid to config.KERNEL_PID_DIR - os.makedirs(config.KERNEL_PID_DIR, exist_ok=True) - with open(os.path.join(config.KERNEL_PID_DIR, "%d.pid" % kernel_manager_process.pid), "w") as p: - p.write("kernel_manager") - -def cleanup_kernel_program(): - kernel_manager.cleanup_spawned_processes() -async def start_snakemq(): - global messaging +def kernel_specific(func): + @wraps(func) + def wrapper(session_id, *args, **kwargs): + kernel = kernel_manager.get(session_id) + kernel.last_access = datetime.now() + return func(kernel, *args, **kwargs) - messaging, link = utils.init_snakemq(config.IDENT_MAIN) + return wrapper - def on_recv(conn, ident, message): - message = json.loads(message.data.decode("utf-8")) - if message["type"] == "status": - if message["value"] == "ready": - logger.debug("Kernel is ready.") - result_queue.put({ - "value":"Kernel is ready.", - "type": "message" - }) - - elif message["type"] in ["message", "message_raw", "image/png", "image/jpeg"]: - # TODO: 1:1 kernel <> channel mapping - logger.debug("%s of type %s" % (message["value"], message["type"])) +@app.route("/api/", methods=["POST", "GET"]) +@kernel_specific +def handle_request(kernel: Kernel): + if request.method == "GET": + # Handle GET requests by sending everything that is in the receive_queue + return jsonify({"results": kernel.get_results(), "status": kernel.status}) + elif request.method == "POST": + kernel.execute(request.json) + return jsonify({"result": "success", "status": kernel.status}) - result_queue.put({ - "value": message["value"], - "type": message["type"] - }) - messaging.on_message_recv.add(on_recv) - logger.info("Starting snakemq loop") +@app.route("/status/", methods=["POST", "GET"]) +@kernel_specific +def handle_status(kernel: Kernel): + if request.method == "POST": + kernel.set_status(request.json["status"]) - def send_queued_messages(): - while True: - if send_queue.qsize() > 0: - message = send_queue.get() - utils.send_json(messaging, - {"type": "execute", "value": message["command"]}, - config.IDENT_KERNEL_MANAGER - ) - time.sleep(0.1) + return jsonify({"result": "success", "status": kernel.status}) - async def async_send_queued_messages(): - loop = asyncio.get_event_loop() - await loop.run_in_executor(None, send_queued_messages) - async def async_link_loop(): - loop = asyncio.get_event_loop() - await loop.run_in_executor(None, link.loop) +@app.route("/restart/", methods=["POST"]) +@kernel_specific +def handle_restart(kernel: Kernel): + kernel.restart() + return jsonify({"result": "success", "status": kernel.status}) - # Wrap the snakemq_link.Link loop in an asyncio task - await asyncio.gather(async_send_queued_messages(), async_link_loop()) +@app.route("/interrupt/", methods=["POST"]) +@kernel_specific +def handle_interrupt(kernel: Kernel): + kernel.interrupt() + return jsonify({"result": "success", "status": kernel.status}) -@app.route("/api", methods=["POST", "GET"]) -def handle_request(): - - if request.method == "GET": - # Handle GET requests by sending everything that's in the receive_queue - results = [result_queue.get() for _ in range(result_queue.qsize())] - return jsonify({"results": results}) - elif request.method == "POST": - data = request.json - send_queue.put(data) +@app.route("/workdir/", methods=["GET"]) +@kernel_specific +def handle_workdir(kernel: Kernel): + return jsonify({"result": str(kernel.workdir)}) - return jsonify({"result": "success"}) - -@app.route("/restart", methods=["POST"]) -def handle_restart(): - cleanup_kernel_program() - start_kernel_manager() +@app.route("/sessions", methods=["GET"]) +def list_sessions(): + result = [ + { + "id": num, + "last_access": str(getattr(kernel, "last_access", 0)), + # do NOT hand out the session ids + } + for num, (session_id, kernel) in enumerate(kernel_manager.items()) + ] - return jsonify({"result": "success"}) + return jsonify({"result": result}) -async def main(): - start_kernel_manager() +def main(): + # Monitor last access to kernels, remove all that have not been accessed in a while + watchdog_thread = WatchdogThread( + name="Kernel Manager Watchdog Thread", + kernel_manager=kernel_manager, + ) - # Run Flask app in a separate thread - flask_thread = threading.Thread(target=run_flask_app) - flask_thread.start() + watchdog_thread.start() + atexit.register(lambda: cleanup(watchdog_thread)) + app.run(host="0.0.0.0", port=config.KERNEL_APP_PORT) - # Run in background - await start_snakemq() +def cleanup(watchdog_thread): + watchdog_thread.stop(wait=True) + kernel_manager.terminate() -def run_flask_app(): - app.run(host="0.0.0.0", port=APP_PORT) if __name__ == "__main__": - asyncio.run(main()) - - - - \ No newline at end of file + main() diff --git a/gpt_code_ui/kernel_program/stoppable_thread.py b/gpt_code_ui/kernel_program/stoppable_thread.py new file mode 100644 index 00000000..c8b35fb2 --- /dev/null +++ b/gpt_code_ui/kernel_program/stoppable_thread.py @@ -0,0 +1,21 @@ +import threading + + +class StoppableThread(threading.Thread): + """Thread class with a stop() method. The thread itself has to check + regularly for the stopped() condition.""" + + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) + self._stop_event = threading.Event() + + def stop(self, wait: bool = False): + self._stop_event.set() + if wait: + self.join() + + def stopped(self, timeout=None): + if timeout is not None: + return self._stop_event.wait(timeout) + else: + return self._stop_event.is_set() diff --git a/gpt_code_ui/kernel_program/utils.py b/gpt_code_ui/kernel_program/utils.py index cce7d704..3e830e51 100644 --- a/gpt_code_ui/kernel_program/utils.py +++ b/gpt_code_ui/kernel_program/utils.py @@ -1,29 +1,73 @@ +import os +import pathlib import re -import json -import snakemq.link -import snakemq.packeter -import snakemq.messaging -import snakemq.message +import subprocess +import sys +import venv -import gpt_code_ui.kernel_program.config as config def escape_ansi(line): ansi_escape = re.compile(r"(?:\x1B[@-_]|[\x80-\x9F])[0-?]*[ -/]*[@-~]") return ansi_escape.sub("", line) -def send_json(messaging, message, identity): - message = snakemq.message.Message(json.dumps(message).encode("utf-8"), ttl=600) - messaging.send_message(identity, message) - -def init_snakemq(ident, init_type="listen"): - link = snakemq.link.Link() - packeter = snakemq.packeter.Packeter(link) - messaging = snakemq.messaging.Messaging(ident, "", packeter) - if init_type == "listen": - link.add_listener(("localhost", config.SNAKEMQ_PORT)) - elif init_type == "connect": - link.add_connector(("localhost", config.SNAKEMQ_PORT)) - else: - raise Exception("Unsupported init type.") - return messaging, link \ No newline at end of file +def create_venv(venv_dir: pathlib.Path, install_default_packages: bool) -> pathlib.Path: + venv_bindir = venv_dir / "bin" + venv_python_executable = venv_bindir / os.path.basename(sys.executable) + + if not os.path.isdir(venv_dir): + # create virtual env inside venv_dir directory + venv.create(venv_dir, system_site_packages=True, with_pip=True, upgrade_deps=True) + + if install_default_packages: + # install wheel because some packages do not like being installed without + subprocess.run([venv_python_executable, "-m", "pip", "install", "wheel>=0.41,<1.0"]) + # install all default packages into the venv + default_packages = [ + "ipykernel>=6,<7", + "numpy>=1.24,<1.25", + "dateparser>=1.1,<1.2", + "pandas>=1.5,<1.6", + "geopandas>=0.13,<0.14", + "tabulate>=0.9.0<1.0", + "PyPDF2>=3.0,<3.1", + "pdfminer>=20191125,<20191200", + "pdfplumber>=0.9,<0.10", + "matplotlib>=3.7,<3.8", + "openpyxl>=3.1.2,<4", + "rdkit>=2023.3.3", + "py3Dmol>=2.0.4", + "bio>=1.6.2", + "scipy==1.11.1", + "scikit-learn==1.3.0", + "wordcloud>=1.9.3", + "XlsxWriter>=3.1.9", + "docx>=0.2.4", + ] + subprocess.run([str(venv_python_executable), "-m", "pip", "install"] + default_packages) + + # get base env library path as we need this to refer to this form a derived venv + site_packages = subprocess.check_output( + [ + venv_python_executable, + "-c", + 'import sysconfig; print(sysconfig.get_paths()["purelib"])', + ] + ) + site_packages_decoded = site_packages.decode("utf-8").split("\n")[0] + + return pathlib.Path(site_packages_decoded) + + +def create_derived_venv(base_venv: pathlib.Path, venv_dir: pathlib.Path): + site_packages_base = create_venv(base_venv, install_default_packages=True) + site_packages_derived = create_venv(venv_dir, install_default_packages=False) + + # create a link from derived venv into the base venv, see https://stackoverflow.com/a/75545634 + with open(site_packages_derived / "_base_packages.pth", "w") as pth: + pth.write(f"{site_packages_base}\n") + + venv_bindir = venv_dir / "bin" + venv_python_executable = venv_bindir / os.path.basename(sys.executable) + + return venv_bindir, venv_python_executable diff --git a/gpt_code_ui/main.py b/gpt_code_ui/main.py index 5683608b..0612ab9d 100644 --- a/gpt_code_ui/main.py +++ b/gpt_code_ui/main.py @@ -2,107 +2,95 @@ # webapp is a Flask app (in webapp/main.py relative to this main.py) # kernel_program is a Python script (in kernel_program/main.py relative to this main.py) - +import multiprocessing +import multiprocessing.connection import sys -import logging -import asyncio import time import webbrowser -from multiprocessing import Process - -from gpt_code_ui.webapp.main import app, APP_PORT -from gpt_code_ui.kernel_program.main import main as kernel_program_main, cleanup_kernel_program +import gpt_code_ui.kernel_program.config as config +from gpt_code_ui.kernel_program.main import main as kernel_program_main +from gpt_code_ui.webapp.main import APP_PORT, app APP_URL = "http://localhost:%s" % APP_PORT -def run_webapp(): + +def run_webapp(logger): try: app.run(host="0.0.0.0", port=APP_PORT, use_reloader=False) - except Exception as e: - logging.exception("Error running the webapp:") + except Exception: + logger.exception("Error running the webapp") sys.exit(1) -def run_kernel_program(): + +def run_kernel_program(logger): try: - asyncio.run(kernel_program_main()) - except Exception as e: - logging.exception("Error running the kernel_program:") + kernel_program_main() + except Exception: + logger.exception("Error running the kernel_program") sys.exit(1) -def setup_logging(): - log_format = "%(asctime)s [%(levelname)s]: %(message)s" - logging.basicConfig(level=logging.INFO, format=log_format) - log_filename = "app.log" - file_handler = logging.FileHandler(log_filename) - file_handler.setFormatter(logging.Formatter(log_format)) - logging.getLogger().addHandler(file_handler) - -def print_color(text, color="gray"): - # Default to gray - code="242" - - if color == "green": - code="35" - - gray_code = "\033[38;5;%sm" % code - reset_code = "\033[0m" - print(f"{gray_code}{text}{reset_code}") - - -def print_banner(): - - print(""" + +def start_subprocess(name, proc, logger): + process = multiprocessing.Process(target=proc, name=name, args=[logger]) + process.start() + return process + + +def print_banner(logger): + logger.info( + """ █▀▀ █▀█ ▀█▀ ▄▄ █▀▀ █▀█ █▀▄ █▀▀ █▄█ █▀▀ ░█░ ░░ █▄▄ █▄█ █▄▀ ██▄ - """) + """ + ) + logger.info("> Open GPT-Code UI in your browser %s" % APP_URL) + logger.info("You can inspect detailed logs in app.log.") + logger.info("Contribute to GPT-Code UI at https://github.com/ricklamers/gpt-code-ui") - print("> Open GPT-Code UI in your browser %s" % APP_URL) - print("") - print("You can inspect detailed logs in app.log.") - print("") - print("Find your OpenAI API key at https://platform.openai.com/account/api-keys") - print("") - print_color("Contribute to GPT-Code UI at https://github.com/ricklamers/gpt-code-ui") def main(): - setup_logging() + logger = config.get_logger("GPT Code UI") - webapp_process = Process(target=run_webapp) - kernel_program_process = Process(target=run_kernel_program) + SUBPROCESSES = { + "WebApp": run_webapp, + "Kernel API": run_kernel_program, + } try: - webapp_process.start() - kernel_program_process.start() + subprocesses = {name: start_subprocess(name, proc, logger) for name, proc in SUBPROCESSES.items()} # Poll until the webapp is running while True: try: app.test_client().get("/") break - except: + except Exception: time.sleep(0.1) - - print_banner() - + + print_banner(logger) + webbrowser.open(APP_URL) - webapp_process.join() - kernel_program_process.join() + while True: + multiprocessing.connection.wait(process.sentinel for process in subprocesses.values()) + + for name in list(subprocesses.keys()): + if (exitcode := subprocesses[name].exitcode) is not None: + logger.info(f"{name} process terminated with exit code {exitcode}. Restarting.") + subprocesses[name] = start_subprocess(name, SUBPROCESSES[name], logger) - except KeyboardInterrupt: - print("Terminating processes...") - - cleanup_kernel_program() - kernel_program_process.terminate() + logger.info("Terminating processes...") + + for process in subprocesses.values(): + process.terminate() + + for process in subprocesses.values(): + process.join() - webapp_process.terminate() + logger.info("Processes terminated.") - webapp_process.join() - kernel_program_process.join() - print("Processes terminated.") - -if __name__ == '__main__': +if __name__ == "__main__": main() diff --git a/gpt_code_ui/st_playground.py b/gpt_code_ui/st_playground.py new file mode 100644 index 00000000..ea362c8b --- /dev/null +++ b/gpt_code_ui/st_playground.py @@ -0,0 +1,63 @@ +import asyncio + +import streamlit as st + +from gpt_code_ui.webapp.main import AVAILABLE_MODELS, ChatHistory, get_code +from gpt_code_ui.webapp.prompts import get_system_prompt + + +def is_initialized(): + return "initalized" in st.session_state and st.session_state["initalized"] + + +def reset_state(): + st.session_state["initalized"] = True + st.session_state["chat_history"] = ChatHistory() + + +def init(): + if not is_initialized(): + reset_state() + + +init() + + +def get_parameters() -> dict: + model = st.sidebar.selectbox( + "Model", + options=AVAILABLE_MODELS, + format_func=lambda model: model["displayName"], + ) + + return {"model": model["name"]} + + +st.set_page_config( + page_title="Prompting playground", + page_icon="🧪", +) +st.header("Prompting playground") +parameters = get_parameters() + +system_prompt = st.text_area("System Prompt", get_system_prompt(), height=300) + + +chat_history: ChatHistory = st.session_state["chat_history"] +messages: list[dict] = chat_history(override_system_prompt=system_prompt) + +for message in messages[1:]: + with st.chat_message(name=message["role"]): + st.markdown(message["content"]) + +user_input = st.chat_input("User input") +if user_input: + chat_history.add_prompt(user_input) + messages = chat_history(override_system_prompt=system_prompt) + code, text, status = asyncio.run(get_code(messages=messages, model=parameters["model"])) + chat_history.add_answer(text) + st.rerun() + +if st.sidebar.button("Clear chat history"): + reset_state() + st.rerun() diff --git a/gpt_code_ui/webapp/llm.py b/gpt_code_ui/webapp/llm.py new file mode 100644 index 00000000..84417fa5 --- /dev/null +++ b/gpt_code_ui/webapp/llm.py @@ -0,0 +1,110 @@ +import json +import os + +import openai +import requests +from dotenv import load_dotenv + +load_dotenv(".env") + + +def get_available_models(): + available_models = os.environ.get( + "AVAILABLE_MODELS", + json.dumps( + [ + {"displayName": "GPT-3.5 16k", "name": "openai/gpt-35-turbo-16k"}, + {"displayName": "GPT-3.5 0613", "name": "openai/gpt-35-turbo-0613"}, + ] + ), + ) + + try: + return json.loads(available_models) + except json.JSONDecodeError as e: + raise ValueError( + f"List of available models is not a valid JSON, check environment variable AVAILABLE_MODELS: {available_models}." + ) from e + + +def call(messages, model: str = "openai/gpt-3.5-turbo"): + vendor = "openai" + if (sep := model.find("/")) > -1: + vendor = model[:sep] + model = model[sep + 1 :] + + # ############ Azure / OpenAI ############## + if vendor in ("openai", "azure"): + if vendor == "azure": + client = openai.AzureOpenAI( + azure_endpoint=os.environ["AZURE_API_BASE"], + api_key=os.environ["AZURE_API_KEY"], + api_version=os.environ.get("AZURE_API_VERSION", None), + ) + else: + client = openai.OpenAI( + api_key=os.environ["OPENAI_API_KEY"], + ) + + arguments = dict( + temperature=0.7, + messages=messages, + ) + + try: + result_GPT = client.chat.completions.create( + model=model, + **arguments, + ) + + if hasattr(result_GPT, "error") and result_GPT.error is not None: + raise RuntimeError(f"Error: {result_GPT.error['code']}, Message: {result_GPT.error['message']}") + + if result_GPT.choices is None: + raise RuntimeError(f"Malformed answer from API: {result_GPT}") + + if result_GPT.choices[0].finish_reason == "content_filter": + raise RuntimeError("Content Filter") + + except openai.OpenAIError as e: + raise RuntimeError(f"Error from API: {e}") from e + + try: + return result_GPT.choices[0].message.content + except AttributeError as e: + raise RuntimeError(f"Malformed answer from API: {result_GPT}") from e + + # ###### Bedrock behind a very simple gateway (NOT the actual Bedrock API) ###### + elif vendor == "bedrock_gateway": + if (sep := model.find(".")) > -1: + base_vendor = model[:sep] + + if base_vendor == "anthropic": + ROLE_MAP = { + "system": "", + "user": "\n\nHuman: ", + "assistant": "\n\nAssistant: ", + } + + arguments = dict( + temperature=0.7, + max_tokens_to_sample=4000, + prompt="".join((ROLE_MAP[m["role"]] + m["content"]) for m in messages) + ROLE_MAP["assistant"], + ) + else: + raise RuntimeError(f"Unsupported bedrock base vendor: {base_vendor}") + + response = requests.request( + method="POST", + url=f"{os.environ['BEDROCK_GATEWAY_API_BASE']}/{model}/invoke", + headers={"x-api-key": os.environ["BEDROCK_GATEWAY_API_KEY"]}, + data=json.dumps(arguments), + ) + + return response.json()["completion"] + else: + raise RuntimeError(f"Malformed bedrock model ID: {model}. Expected format 'BASE_VENDOR.MODEL'.") + + # ############ Others ############## + else: + raise RuntimeError(f"Unsupported vendor {vendor} with model {model} requested.") diff --git a/gpt_code_ui/webapp/main.py b/gpt_code_ui/webapp/main.py index 332986e5..d3a04f89 100644 --- a/gpt_code_ui/webapp/main.py +++ b/gpt_code_ui/webapp/main.py @@ -1,64 +1,122 @@ # The GPT web UI as a template based Flask app -import os -import requests import asyncio import json -import re import logging +import os +import re import sys -import openai -import pandas as pd +import uuid +from collections import defaultdict +from functools import wraps +from pathlib import Path +from typing import Dict, List -from collections import deque - -from flask_cors import CORS -from flask import Flask, request, jsonify, send_from_directory, Response +import pandas as pd +import pandas.api.types as pd_types +import requests from dotenv import load_dotenv +from flask import Flask, Response, jsonify, request, send_from_directory, session +from flask_cors import CORS +from foundry_dev_tools import FoundryRestClient +from foundry_dev_tools.foundry_api_client import FoundryAPIError -from gpt_code_ui.kernel_program.main import APP_PORT as KERNEL_APP_PORT +from gpt_code_ui.kernel_program import config +from gpt_code_ui.webapp import llm +from gpt_code_ui.webapp.prompts import get_system_prompt -load_dotenv('.env') +load_dotenv(".env") -openai.api_version = os.environ.get("OPENAI_API_VERSION") -openai.log = os.getenv("OPENAI_API_LOGLEVEL") -OPENAI_EXTRA_HEADERS = json.loads(os.environ.get("OPENAI_EXTRA_HEADERS", "{}")) +AVAILABLE_MODELS = llm.get_available_models() +SESSION_ENCRYPTION_KEY = os.environ["SESSION_ENCRYPTION_KEY"] +APP_PORT = int(os.environ.get("WEB_PORT", 8080)) +FOUNDRY_DATA_FOLDER = os.getenv( + "FOUNDRY_DATA_FOLDER", "/Global/Foundry Training and Resources/Example Data/Aviation Ontology" +) -if openai.api_type == "open_ai": - AVAILABLE_MODELS = json.loads(os.environ.get("OPENAI_MODELS", '''[{"displayName": "GPT-3.5", "name": "gpt-3.5-turbo"}, {"displayName": "GPT-4", "name": "gpt-4"}]''')) -elif openai.api_type == "azure": - try: - AVAILABLE_MODELS = json.loads(os.environ["AZURE_OPENAI_DEPLOYMENTS"]) - except KeyError as e: - raise RuntimeError('AZURE_OPENAI_DEPLOYMENTS environment variable not set') from e -else: - raise ValueError(f'Invalid OPENAI_API_TYPE: {openai.api_type}') -UPLOAD_FOLDER = 'workspace/' -os.makedirs(UPLOAD_FOLDER, exist_ok=True) +class ChatHistory: + def __init__(self, system_prompt: str = None): + self._buffer: List[Dict[str, str]] = list() + self._last_untruncated = None + self._truncation_maxlines = 20 + if system_prompt is None: + system_prompt = get_system_prompt() -APP_PORT = int(os.environ.get("WEB_PORT", 8080)) + self._append("system", system_prompt) + def _append(self, role: str, content: str, name: str = None): + if role not in ("user", "assistant", "system"): + raise ValueError(f"Invalid role: {role}") -class LimitedLengthString: - def __init__(self, maxlen=2000): - self.data = deque() - self.len = 0 - self.maxlen = maxlen + entry = {"role": role, "content": content} + if name is not None: + entry["name"] = name - def append(self, string): - self.data.append(string) - self.len += len(string) - while self.len > self.maxlen: - popped = self.data.popleft() - self.len -= len(popped) + self._buffer.append(entry) - def get_string(self): - result = ''.join(self.data) - return result[-self.maxlen:] + def _extend_or_append(self, role: str, prefix: str, content: str, name: str = None) -> bool: + """Returns true if a new entry has been created (i.e. append instead of extend)""" + last = self._buffer[-1] + if last["role"] == role and last.get("name", None) == name: + last["content"] += content + return False + else: + self._append(role, f"{prefix}\n{content}", name) + return True + + def _truncate(self, s: str) -> str: + return "\n".join(s.splitlines()[: self._truncation_maxlines]) + + def _update_truncation(self): + if self._last_untruncated is not None: + self._buffer[self._last_untruncated]["content"] = self._truncate( + self._buffer[self._last_untruncated]["content"] + ) + self._last_untruncated = len(self._buffer) - 1 + + def add_prompt(self, prompt: str): + self._append("user", prompt, "User") + + def add_answer(self, answer: str): + self._append("assistant", answer) + + def upload_file(self, filename: str, file_info: str = None): + self._append( + "user", + f"In the following, I will refer to the file {filename}.\n{file_info}", + ) + + def add_execution_result(self, result: str): + if self._extend_or_append( + "user", + "These are the first lines of the output generated when executing the code:", + result, + "Computer", + ): + self._update_truncation() + + def add_error(self, message: str): + if self._extend_or_append( + "user", + "Executing this code lead to an error.\nThe first lines of the error message read:", + message, + "Computer", + ): + self._update_truncation() + + def __call__(self, exclude_system: bool = False, override_system_prompt: str = None): + if exclude_system: + return [entry for entry in self._buffer if entry["role"] != "system"] + elif override_system_prompt is not None: + buffer = [entry for entry in self._buffer if entry["role"] != "system"] + buffer.insert(0, {"role": "system", "content": override_system_prompt}) + return buffer + else: + return self._buffer -message_buffer = LimitedLengthString() +chat_history: Dict[str, ChatHistory] = defaultdict(ChatHistory) def allowed_file(filename): @@ -66,134 +124,106 @@ def allowed_file(filename): def inspect_file(filename: str) -> str: + NUM_SAMPLE_ROWS = 5 READER_MAP = { - '.csv': pd.read_csv, - '.tsv': pd.read_csv, - '.xlsx': pd.read_excel, - '.xls': pd.read_excel, - '.xml': pd.read_xml, - '.json': pd.read_json, - '.hdf': pd.read_hdf, - '.hdf5': pd.read_hdf, - '.feather': pd.read_feather, - '.parquet': pd.read_parquet, - '.pkl': pd.read_pickle, - '.sql': pd.read_sql, + ".csv": pd.read_csv, + ".tsv": pd.read_csv, + ".xlsx": pd.read_excel, + ".xls": pd.read_excel, + ".xml": pd.read_xml, + ".json": pd.read_json, + ".hdf": pd.read_hdf, + ".hdf5": pd.read_hdf, + ".feather": pd.read_feather, + ".parquet": pd.read_parquet, + ".pkl": pd.read_pickle, + ".sql": pd.read_sql, } + def _convert_type(t): + if pd_types.is_string_dtype(t): + return "string" + elif pd_types.is_integer_dtype(t): + return "integer" + elif pd_types.is_float_dtype(t): + return "float" + else: + return t + _, ext = os.path.splitext(filename) try: - df = READER_MAP[ext.lower()](filename) - return f'The file contains the following columns: {", ".join(df.columns)}' + df: pd.DataFrame = READER_MAP[ext.lower()](filename) + column_table = "| Column Name | Column Type |\n| ----------- | ----------- |\n" + "\n".join( + [f"| {n} | {_convert_type(t)} |" for n, t in df.dtypes.items()] + ) + return f"""The file contains the following columns: +{column_table} + +The table has {len(df.index)} rows. The first {NUM_SAMPLE_ROWS} rows read +{df.head(NUM_SAMPLE_ROWS).to_markdown()} +""" except KeyError: - return '' # unsupported file type + return "" # unsupported file type except Exception: - return '' # file reading failed. - Don't want to know why. - - -async def get_code(user_prompt, user_openai_key=None, model="gpt-3.5-turbo"): - - prompt = f"""First, here is a history of what I asked you to do earlier. - The actual prompt follows after ENDOFHISTORY. - History: - {message_buffer.get_string()} - ENDOFHISTORY. - Write Python code, in a triple backtick Markdown code block, that does the following: - {user_prompt} - - Notes: - First, think step by step what you want to do and write it down in English. - Then generate valid Python code in a code block - Make sure all code is valid - it be run in a Jupyter Python 3 kernel environment. - Define every variable before you use it. - For data munging, you can use - 'numpy', # numpy==1.24.3 - 'dateparser' #dateparser==1.1.8 - 'pandas', # matplotlib==1.5.3 - 'geopandas' # geopandas==0.13.2 - For pdf extraction, you can use - 'PyPDF2', # PyPDF2==3.0.1 - 'pdfminer', # pdfminer==20191125 - 'pdfplumber', # pdfplumber==0.9.0 - For data visualization, you can use - 'matplotlib', # matplotlib==3.7.1 - Be sure to generate charts with matplotlib. If you need geographical charts, use geopandas with the geopandas.datasets module. - If the user has just uploaded a file, focus on the file that was most recently uploaded (and optionally all previously uploaded files) - - Teacher mode: if the code modifies or produces a file, at the end of the code block insert a print statement that prints a link to it as HTML string: Download file. Replace INSERT_FILENAME_HERE with the actual filename.""" - - if user_openai_key: - openai.api_key = user_openai_key - - arguments = dict( - temperature=0.7, - headers=OPENAI_EXTRA_HEADERS, - messages=[ - # {"role": "system", "content": system}, - {"role": "user", "content": prompt}, - ] - ) - - if openai.api_type == 'open_ai': - arguments["model"] = model - elif openai.api_type == 'azure': - arguments["deployment_id"] = model - else: - return None, f"Error: Invalid OPENAI_PROVIDER: {openai.api_type}", 500 - - try: - result_GPT = openai.ChatCompletion.create(**arguments) - - if 'error' in result_GPT: - raise openai.APIError(code=result_GPT.error.code, message=result_GPT.error.message) + return "" # file reading failed. - Don't want to know why. - if result_GPT.choices[0].finish_reason == 'content_filter': - raise openai.APIError('Content Filter') - - except openai.OpenAIError as e: - return None, f"Error from API: {e}", 500 +async def get_code(messages, model="openai/gpt-3.5-turbo"): try: - content = result_GPT.choices[0].message.content + content = llm.call(messages, model=model) + except RuntimeError as e: + return None, str(e), 500 + else: - except AttributeError: - return None, f"Malformed answer from API: {content}", 500 + def extract_code(text): + # Match triple backtick blocks first + triple_match = re.search( + r"```(?:(?:[^\r\n]*[pP]ython[^\r\n]*[\r\n])|(?:\w+\n))?(.+?)```", + text, + re.DOTALL, + ) + if triple_match: + return triple_match.group(1).strip() + else: + # If no triple backtick blocks, match single backtick blocks + single_match = re.search(r"`(.+?)`", text, re.DOTALL) + if single_match: + return single_match.group(1).strip() - def extract_code(text): - # Match triple backtick blocks first - triple_match = re.search(r'```(?:\w+\n)?(.+?)```', text, re.DOTALL) - if triple_match: - return triple_match.group(1).strip() - else: - # If no triple backtick blocks, match single backtick blocks - single_match = re.search(r'`(.+?)`', text, re.DOTALL) - if single_match: - return single_match.group(1).strip() + return extract_code(content), content.strip(), 200 - return extract_code(content), content.strip(), 200 # We know this Flask app is for local use. So we can disable the verbose Werkzeug logger -log = logging.getLogger('werkzeug') +log = logging.getLogger("werkzeug") log.setLevel(logging.ERROR) -cli = sys.modules['flask.cli'] -cli.show_server_banner = lambda *x: None +cli = sys.modules["flask.cli"] +cli.show_server_banner = lambda *x: None # type: ignore app = Flask(__name__) -app.config['UPLOAD_FOLDER'] = UPLOAD_FOLDER +app.secret_key = SESSION_ENCRYPTION_KEY CORS(app) -@app.route('/') -def index(): +def session_id_required(function_to_protect): + @wraps(function_to_protect) + def wrapper(*args, **kwargs): + if (session_id := session.get("session_id", None)) is None: + session_id = str(uuid.uuid4()) + session["session_id"] = session_id + + logger = config.get_logger(f"WebApp {session_id}") + + return function_to_protect(session_id, logger, *args, **kwargs) + + return wrapper - # Check if index.html exists in the static folder - if not os.path.exists(os.path.join(app.root_path, 'static/index.html')): - print("index.html not found in static folder. Exiting. Did you forget to run `make compile_frontend` before installing the local package?") - return send_from_directory('static', 'index.html') +@app.route("/") +def index(): + return send_from_directory("static", "index.html") @app.route("/models") @@ -201,85 +231,225 @@ def models(): return jsonify(AVAILABLE_MODELS) -@app.route('/api/', methods=["GET", "POST"]) -def proxy_kernel_manager(path): - if request.method == "POST": - resp = requests.post( - f'http://localhost:{KERNEL_APP_PORT}/{path}', json=request.get_json()) - else: - resp = requests.get(f'http://localhost:{KERNEL_APP_PORT}/{path}') - - excluded_headers = ['content-encoding', - 'content-length', 'transfer-encoding', 'connection'] - headers = [(name, value) for (name, value) in resp.raw.headers.items() - if name.lower() not in excluded_headers] +@app.route("/sessions") +def sessions(): + resp = requests.get(f"http://localhost:{config.KERNEL_APP_PORT}/sessions") - response = Response(resp.content, resp.status_code, headers) - return response + return resp.content, resp.status_code, resp.headers.items() -@app.route('/assets/') +@app.route("/assets/") def serve_static(path): - return send_from_directory('static/assets/', path) + return send_from_directory("static/assets/", path) -@app.route('/download') -def download_file(): +@app.route("/api/", methods=["GET", "POST"]) +@session_id_required +def proxy_kernel_manager(session_id, logger, path): + backend_url = f"http://localhost:{config.KERNEL_APP_PORT}/{path}/{session_id}" - # Get query argument file - file = request.args.get('file') - # from `workspace/` send the file - # make sure to set required headers to make it download the file - return send_from_directory(os.path.join(os.getcwd(), 'workspace'), file, as_attachment=True) + try: + if request.method == "POST": + resp = requests.post(backend_url, json=request.get_json()) + else: + resp = requests.get(backend_url) + except requests.exceptions.ConnectionError as e: + return jsonify({"message": f"Failed to communicate with backend server: {e}."}), 500 + + # store execution results in conversation history to allow back-references by the user + content = json.loads(resp.content) + for res in content.get("results", []): + if res["type"] == "message": + chat_history[session_id].add_execution_result(res["value"]) + elif res["type"] == "message_error": + chat_history[session_id].add_error(res["value"]) + logger.debug(session_id, res) -@app.route('/inject-context', methods=['POST']) -def inject_context(): - user_prompt = request.json.get('prompt', '') + excluded_headers = [ + "content-encoding", + "content-length", + "transfer-encoding", + "connection", + ] + headers = [(name, value) for (name, value) in resp.raw.headers.items() if name.lower() not in excluded_headers] - # Append all messages to the message buffer for later use - message_buffer.append(user_prompt + "\n\n") + # inject the conversation history into the results + content["chat_history"] = chat_history[session_id](exclude_system=True) + return Response(json.dumps(content), resp.status_code, headers) + + +@app.route("/download") +@session_id_required +def download_file(session_id, logger): + # Get query argument file + file = request.args.get("file") + # find out the workspace directory corresponding to the specific session + resp = requests.get(f"http://localhost:{config.KERNEL_APP_PORT}/workdir/{session_id}") + if resp.status_code == 200: + workdir = resp.json()["result"] + else: + return resp, resp.status_code + + logger.info(f"Downloading '{file}' from '{workdir}'.") + return send_from_directory(workdir, file, as_attachment=True) + + +@app.route("/clear_history", methods=["POST"]) +@session_id_required +def clear_history(session_id, logger): + logger.info("Clearing chat history") + del chat_history[session_id] return jsonify({"result": "success"}) -@app.route('/generate', methods=['POST']) -def generate_code(): - user_prompt = request.json.get('prompt', '') - user_openai_key = request.json.get('openAIKey', None) - model = request.json.get('model', None) +@app.route("/generate", methods=["POST"]) +@session_id_required +def generate_code(session_id, logger): + requests.post( + f"http://localhost:{config.KERNEL_APP_PORT}/status/{session_id}", + json={"status": "generating"}, + ) + + user_prompt = request.json.get("prompt", "") + model = request.json.get("model", None) + + logger.info(f"Code generation reuqested with model '{model}'. Prompt:\n{user_prompt}") loop = asyncio.new_event_loop() asyncio.set_event_loop(loop) - code, text, status = loop.run_until_complete( - get_code(user_prompt, user_openai_key, model)) + chat_history[session_id].add_prompt(user_prompt) + + code, text, status = loop.run_until_complete(get_code(chat_history[session_id](), model)) loop.close() - # Append all messages to the message buffer for later use - message_buffer.append(user_prompt + "\n\n") + if status == 200: + chat_history[session_id].add_answer(text) + + requests.post( + f"http://localhost:{config.KERNEL_APP_PORT}/status/{session_id}", + json={"status": "ready"}, + ) - return jsonify({'code': code, 'text': text}), status + logger.info(f"\n== Answer ==\n{text}\n\n== Extracted Code ==\n {code}") + return jsonify({"code": code, "text": text}), status -@app.route('/upload', methods=['POST']) -def upload_file(): +@app.route("/upload", methods=["POST"]) +@session_id_required +def upload_file(session_id, logger): # check if the post request has the file part - if 'file' not in request.files: - return jsonify({'error': 'No file part in the request'}), 400 - file = request.files['file'] - # if user does not select file, browser also - # submit an empty part without filename - if file.filename == '': - return jsonify({'error': 'No selected file'}), 400 + if "file" not in request.files: + return jsonify({"error": "No file part in the request"}), 400 + file = request.files["file"] + # if user does not select file, browser also submit an empty part without filename + if file.filename == "": + return jsonify({"error": "No selected file"}), 400 if file and allowed_file(file.filename): - file_target = os.path.join(app.config['UPLOAD_FOLDER'], file.filename) + # find out the workspace directory corresponding to the specific session + resp = requests.get(f"http://localhost:{config.KERNEL_APP_PORT}/workdir/{session_id}") + if resp.status_code == 200: + workdir = resp.json()["result"] + else: + return resp, resp.status_code + + logger.info(f"Uploading file '{file.filename}' to '{workdir}'") + + file_target = os.path.join(workdir, file.filename) file.save(file_target) file_info = inspect_file(file_target) - return jsonify({'message': f'File {file.filename} uploaded successfully.\n{file_info}'}), 200 + chat_history[session_id].upload_file(file.filename, file_info) + return jsonify({"message": f"File `{file.filename}` uploaded successfully.\n{file_info}"}), 200 else: - return jsonify({'error': 'File type not allowed'}), 400 + return jsonify({"message": "File type not supported."}), 400 -if __name__ == '__main__': - app.run(host="0.0.0.0", port=APP_PORT, debug=True, use_reloader=False) +@app.route("/foundry_files", methods=["GET", "POST"]) +@session_id_required +def foundry_files(session_id, logger, folder=None): + try: + fc = FoundryRestClient() + except ValueError as e: + logger.exception(e) + return "Foundry access misconfigured on server", 500 + + if request.method == "POST": + req = request.get_json() + dataset_rid = req["dataset_rid"] + + # find out the workspace directory corresponding to the specific session + resp = requests.get(f"http://localhost:{config.KERNEL_APP_PORT}/workdir/{session_id}") + if resp.status_code == 200: + workdir = resp.json()["result"] + else: + return resp, resp.status_code + + try: + files = fc.download_dataset_files(dataset_rid, workdir) + except requests.exceptions.HTTPError as e: + logger.exception(e) + return e.response.json().get("errorCode", "Unknown Error"), e.response.status_code + + results = [] + http_code = 400 + for file in files: + filename = os.path.relpath(file, workdir) + + if allowed_file(file): + file_info = inspect_file(file) + chat_history[session_id].upload_file(filename, file_info) + + results.append( + { + "filename": filename, + "message": f"File `{filename}` downloaded successfully.\n{file_info}", + } + ) + http_code = 200 + else: + results.append({"filename": filename, "message": "File type not supported."}) + + return jsonify(results), http_code + else: + folder = request.args.get("folder", FOUNDRY_DATA_FOLDER) + + try: + if folder.startswith("/"): + # this is a path - query the RID + folder_rid = fc.get_dataset_rid(folder) + else: + # this must be an RID - query the path + folder_rid, folder = folder, fc.get_dataset_path(folder) + + files = fc.get_child_objects_of_folder(folder_rid) + + parent_folder = str(Path(folder).parent) + parent_rid = fc.get_dataset_rid(parent_folder) + + return jsonify( + { + "self": {"name": str(Path(folder).name), "absolute_path": folder, "rid": folder_rid}, + "parent": { + "name": str(Path(parent_folder).name), + "absolute_path": parent_folder, + "rid": parent_rid, + }, + "children": [ + {"name": f["name"], "absolute_path": f'{folder}/{f["name"]}', "rid": f["rid"]} for f in files + ], + } + ) + except FoundryAPIError: + return "Folder not accessible", 404 + + +if __name__ == "__main__": + # Check if index.html exists in the static folder + if not os.path.exists(os.path.join(app.root_path, "static/index.html")): + raise RuntimeError( + "index.html not found in static folder. Exiting. Did you forget to run `make compile_frontend` before installing the local package?" + ) + else: + app.run(host="0.0.0.0", port=APP_PORT, debug=True, use_reloader=False) diff --git a/gpt_code_ui/webapp/prompts.py b/gpt_code_ui/webapp/prompts.py new file mode 100644 index 00000000..60d44154 --- /dev/null +++ b/gpt_code_ui/webapp/prompts.py @@ -0,0 +1,137 @@ +import types +from typing import Any, Callable, Dict, List + +from gpt_code_ui.function_library import AVAILABLE_FUNCTIONS +from gpt_code_ui.function_library.parser import get_function_signature, is_empty_annotation, is_empty_default +from gpt_code_ui.kernel_program.config import NO_INTERNET_AVAILABLE + +SYSTEM_PROMPT_TEMPLATE = """Write Python code, in a triple backtick Markdown code block, that answers the user prompts. + +Notes: + First, think step by step what you want to do and write it down in English. + Then generate valid Python code in a single code block. + Make sure all code is valid - it will Be run in a Jupyter Python 3 kernel environment. + Define every variable before you use it. + For data processing, you can use + 'numpy', # numpy==1.24.3 + 'dateparser' #dateparser==1.1.8 + 'pandas', # matplotlib==1.5.3 + 'geopandas', # geopandas==0.13.2 + 'tabulate', # tabulate==0.9.0 + 'scipy', # scipy==1.11.1 + 'scikit-learn', # scikit-learn==1.3.0 + 'WordCloud', # wordcloud==1.9.3" + For pdf extraction, you can use + 'PyPDF2', # PyPDF2==3.0.1 + 'pdfminer', # pdfminer==20191125 + 'pdfplumber', # pdfplumber==0.9.0 + For data visualization, you can use + 'matplotlib', # matplotlib==3.7.1 + For chemistry related tasks, you can use + 'rdkit', # rdkit>=2023.3.3 + For 3D visualizations of molecules (e.g. from file formats 'pdb', 'sdf', 'xyz', 'pqr', 'cub', or 'mol2'), you can use + 'py3Dmol', # py3Dmol==2.0.4 + + { f'''In addition you can use the following functions. DO NOT REDEFINE THEM: +{functions}''' if functions else '' } + + Be sure to generate charts with matplotlib. If you need geographical charts, use geopandas with the geopandas.datasets module. + Do not set or modify matplotlib fonts. Instead assume that fonts are selected automatically as needed. + For 3D visualizations of SMILEs strings, you need to use rdkit to convert them to a Mol block first as the `addModel` function of py3Dmol does not suport SMILEs strings directly. + { 'Do not try to install additional packages as no internet connection is available. Do not include any "!pip install PACKAGE" commands.' if NO_INTERNET_AVAILABLE else + 'If an additional package is required, you can add the corresponding "!pip install PACKAGE" call to the beginning of the code.' } + If the user requests to generate a table, produce code that prints a markdown table. + If the user has just uploaded a file, focus on the file that was most recently uploaded (and optionally all previously uploaded files) + If the code modifies or produces a file, at the end of the code block insert a print statement that prints a link to it as HTML string: Download file. Replace INSERT_FILENAME_HERE with the actual filename. + Do not use your own knowledge to answer the user prompt. Instead, focus on generating Python code for doing so.""" + + +def format_prompt(template: str, variables: Dict[str, Any]) -> str: + """Formats a prompt string. + + Args: + template (str): The template string. + variables (Dict): The variables to insert into the template. + + Returns: + The formatted prompt string. + """ + + _globals = { + "NO_INTERNET_AVAILABLE": NO_INTERNET_AVAILABLE, + } + + # Might be a security risk, so only use trusted templates + return eval(f'f"""{template}"""', _globals, variables) # noqa: W0123 + + +def get_system_prompt(template: str = SYSTEM_PROMPT_TEMPLATE, functions: List[Callable] = None) -> str: + """Gets the system prompt. + + Args: + template (str, optional): The template to use. Defaults to SYSTEM_PROMPT_TEMPLATE. + functions (List[Callable], optional): The functions to include in the prompt. Defaults to None. + + Returns: + The system prompt. + """ + + if functions is None: + functions = list(AVAILABLE_FUNCTIONS.values()) + + function_prompts = [function_to_prompt(fun) for fun in functions] + function_prompts_str = "\n".join(function_prompts) + + return format_prompt( + template, + { + "functions": function_prompts_str, + }, + ) + + +def type_to_string(t: type) -> str: + """Converts a type to a string. + + Args: + t (type): The type to convert. + + Returns: + A string representation of the type. + """ + + if isinstance(t, types.GenericAlias) or t is None: + return str(t) + else: + return t.__name__ + + +def function_to_prompt(fun: Callable) -> str: + """Converts a function into a prompt string. + + Args: + fun (Callable): The function to convert. + + Returns: + A prompt string. + """ + + signature = get_function_signature(fun) + + # TODO (TP): Write JINJA2 template for function prompt + parameter_strs = [] + for parameter in signature.parameters: + s = f"{parameter.name}: {type_to_string(parameter.type)}" + if not is_empty_default(parameter.default): + s += f" = {parameter.default}" + parameter_strs.append(s) + + parameter_str = ", ".join(parameter_strs) + return_type_str = ( + type_to_string(signature.return_type) if not is_empty_annotation(signature.return_type) else "None" + ) + output = f'''def {signature.name}({parameter_str}) -> {return_type_str}: + """{signature.doc_string}""" + pass +''' + return output diff --git a/gpt_code_ui/webapp/static/.gitignore b/gpt_code_ui/webapp/static/.gitignore index c96a04f0..d6b7ef32 100644 --- a/gpt_code_ui/webapp/static/.gitignore +++ b/gpt_code_ui/webapp/static/.gitignore @@ -1,2 +1,2 @@ * -!.gitignore \ No newline at end of file +!.gitignore diff --git a/notes/blog-post-notes.txt b/notes/blog-post-notes.txt deleted file mode 100644 index ff9d605e..00000000 --- a/notes/blog-post-notes.txt +++ /dev/null @@ -1,3 +0,0 @@ -- Show trick of install_requires with pip output -- Explain prompt injection trick for file upload -- Jupyter Kernel manager diff --git a/notes/todo.txt b/notes/todo.txt deleted file mode 100644 index 33ca4b0e..00000000 --- a/notes/todo.txt +++ /dev/null @@ -1,14 +0,0 @@ -- (Done) Kernel restart -- (Done) Sidebar -- (Done) Pass in OpenAI key -- (Done) Choose model -- (Done) Add prior chat message as context -- (Done) Add download file support -- (Done) Test bundling -- (Done) Test uploading to PyPI -- (Done) Create decent README - -Nice-to-haves -- GitHub action for PyPI publish on release -- Dark mode -- Support image outputs diff --git a/poetry.lock b/poetry.lock new file mode 100644 index 00000000..ab11f572 --- /dev/null +++ b/poetry.lock @@ -0,0 +1,3988 @@ +# This file is automatically @generated by Poetry 1.7.1 and should not be changed by hand. + +[[package]] +name = "altair" +version = "5.2.0" +description = "Vega-Altair: A declarative statistical visualization library for Python." +optional = false +python-versions = ">=3.8" +files = [ + {file = "altair-5.2.0-py3-none-any.whl", hash = "sha256:8c4888ad11db7c39f3f17aa7f4ea985775da389d79ac30a6c22856ab238df399"}, + {file = "altair-5.2.0.tar.gz", hash = "sha256:2ad7f0c8010ebbc46319cc30febfb8e59ccf84969a201541c207bc3a4fa6cf81"}, +] + +[package.dependencies] +jinja2 = "*" +jsonschema = ">=3.0" +numpy = "*" +packaging = "*" +pandas = ">=0.25" +toolz = "*" +typing-extensions = {version = ">=4.0.1", markers = "python_version < \"3.11\""} + +[package.extras] +dev = ["anywidget", "geopandas", "hatch", "ipython", "m2r", "mypy", "pandas-stubs", "pyarrow (>=11)", "pytest", "pytest-cov", "ruff (>=0.1.3)", "types-jsonschema", "types-setuptools", "vega-datasets", "vegafusion[embed] (>=1.4.0)", "vl-convert-python (>=1.1.0)"] +doc = ["docutils", "jinja2", "myst-parser", "numpydoc", "pillow (>=9,<10)", "pydata-sphinx-theme (>=0.14.1)", "scipy", "sphinx", "sphinx-copybutton", "sphinx-design", "sphinxext-altair"] + +[[package]] +name = "annotated-types" +version = "0.6.0" +description = "Reusable 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ChatGPT Code Interpreter" +authors = ["Mathias Winkel", + "Tobias Plötz", + "Christian Röder", + "Rick Lamers"] +license = "MIT" +readme = "README.md" +packages = [ + { include = "gpt_code_ui" }, +] +include = [ + { path = "UserInterface.png", format = ["sdist", "wheel"] }, + { path = "LICENSE", format = ["sdist", "wheel"] }, + { path = "gpt_code_ui/webapp/static/**/*", format = ["sdist", "wheel"] }, +] +exclude = [ + "**/.gitignore", + "**/.DS_Store", +] + +[tool.poetry.dependencies] +python = "^3.10" +ipykernel = "^6.28.0" +requests = "^2.31.0" +flask = "^2.3.2" +flask-cors = "^3.0.10" +foundry-dev-tools = "^1.3" +python-dotenv = "^1.0.0" +pandas = "^2.1.4" +openai = "^1.10.0" + +[tool.poetry.group.dev.dependencies] +streamlit = "^1.31.1" +pre-commit = "^3.6.0" +pytest = "^8.0.2" + +[tool.poetry.group.devtools.dependencies] +mypy = "^1" +ruff = "^0" +black = "^23" + +# TODO why in poetry? groups are not really self-contained, but kernel env is +[tool.poetry.group.kernel.dependencies] +numpy = "^1.26.3" +rdkit = "^2023.9.3" +bio = "^1.6.2" +py3Dmol = "^2.0.4" +pandas = "^2.1.4" +ipykernel = "^6.28.0" +dateparser = "^1.2.0" +geopandas = "^0.14.2" +tabulate = "^0.9.0" +pypdf2 = "^3.0.1" +pdfminer = "^20191125" +pdfplumber = "^0.10.3" +matplotlib = "^3.8.2" +openpyxl = "^3.1.2" +scipy = "^1.11.4" +scikit-learn = "^1.3.2" +wordcloud = "^1.9.3" +xlsxwriter = "^3.1.9" +docx = "^0.2.4" + +[tool.poetry.scripts] +gptcode = "gpt_code_ui.main:main" + +[tool.mypy] +files = "gpt_code_ui/**/*.py" +ignore_missing_imports = true + +[tool.ruff] +# TODO refactor to have source in /src +include = ["gpt_code_ui/**/*.py", "tests/**/*.py"] +line-length = 120 +target-version = "py310" + +[tool.ruff.lint] +fixable = ["ALL"] +extend-select = ["I", "C90"] + +[tool.ruff.lint.mccabe] +# TODO refactor and reduce +max-complexity = 18 + +[build-system] +requires = ["poetry-core>=1.7.1"] +build-backend = "poetry.core.masonry.api" diff --git a/run_with_app_service_config.py b/run_with_app_service_config.py new file mode 100644 index 00000000..cb33ab3d --- /dev/null +++ b/run_with_app_service_config.py @@ -0,0 +1,34 @@ +import json +import os +import subprocess +import sys + +try: + config = json.loads(os.environ["APP_SERVICE_CONFIG"]) +except KeyError: + config = json.load(open(".app_service_config.json")) + +sub_env = os.environ.copy() + +for key, value in config.items(): + if isinstance(value, str): + if value.startswith("$"): + try: + value = os.environ[value[1:]] + except KeyError: + print(f"Failed to resolve environment variable {value}. Keeping the reference in the env.") + + sub_env[key] = value + elif isinstance(value, int): + sub_env[key] = str(value) + else: + sub_env[key] = json.dumps(value) + +sub_env["PYTHONUNBUFFERED"] = "1" + +if len(sys.argv) > 1: + args = sys.argv[1:] +else: + args = ["./gpt_code_ui/main.py"] + +subprocess.run([sys.executable] + args, env=sub_env) diff --git a/scripts/create_release.sh b/scripts/create_release.sh old mode 100644 new mode 100755 diff --git a/setup.py b/setup.py deleted file mode 100644 index 8a2a0e56..00000000 --- a/setup.py +++ /dev/null @@ -1,31 +0,0 @@ -from setuptools import setup, find_packages -from os import path - -this_directory = path.abspath(path.dirname(__file__)) -with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f: - long_description = f.read() - -setup( - name='gpt_code_ui', - version='0.42.40', - description="An Open Source version of ChatGPT Code Interpreter", - long_description=long_description, - long_description_content_type='text/markdown', # This field specifies the format of the `long_description`. - packages=find_packages(), - package_data={'gpt_code_ui.webapp': ['static/*', 'static/assets/*']}, - install_requires=[ - 'ipykernel>=6,<7', - 'snakemq>=1,<2', - 'requests>=2,<3', - 'Flask>=2,<3', - 'flask-cors>=3,<4', - 'python-dotenv>=0.18,<2', - 'pandas>=1.3,<2', - 'openai>=0.25,<1', - ], - entry_points={ - 'console_scripts': [ - 'gptcode = gpt_code_ui.main:main', - ], - }, -) diff --git a/tests/__init__.py b/tests/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/tests/integration/__init__.py b/tests/integration/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/tests/unit/__init__.py b/tests/unit/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/tests/unit/test_gpt_code_ui/__init__.py b/tests/unit/test_gpt_code_ui/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/tests/unit/test_gpt_code_ui/test_chat_history.py b/tests/unit/test_gpt_code_ui/test_chat_history.py new file mode 100644 index 00000000..d905d6c3 --- /dev/null +++ b/tests/unit/test_gpt_code_ui/test_chat_history.py @@ -0,0 +1,23 @@ +from gpt_code_ui.webapp.main import ChatHistory + + +def test_chat_history(): + chat_history = ChatHistory() + # empty history should only include system message + messages = chat_history() + assert len(messages) == 1 + assert messages[0]["role"] == "system" + messages = chat_history(exclude_system=True) + assert len(messages) == 0 + + # add a message + chat_history.add_prompt("test") + messages = chat_history() + assert len(messages) == 2 + assert messages[1]["role"] == "user" + + # get messages with new system message + messages = chat_history(override_system_prompt="another system message") + assert len(messages) == 2 + assert messages[0]["role"] == "system" + assert messages[0]["content"] == "another system message" diff --git a/tests/unit/test_gpt_code_ui/test_function_prompts.py b/tests/unit/test_gpt_code_ui/test_function_prompts.py new file mode 100644 index 00000000..e0eed8a0 --- /dev/null +++ b/tests/unit/test_gpt_code_ui/test_function_prompts.py @@ -0,0 +1,49 @@ +from gpt_code_ui.function_library.examples import generate_derivate_molecules, predict_solubility +from gpt_code_ui.webapp.prompts import SYSTEM_PROMPT_TEMPLATE, function_to_prompt, get_system_prompt + +_predict_solubility_prompt = '''def predict_solubility(smiles: str) -> float: + """Predict the solubility of a molecule from its SMILES string. + + Args: + smiles: SMILES string of the molecule. + + Returns: + The predicted solubility. + """ + pass +''' + +_generate_derivate_molecules_prompt = '''def generate_derivate_molecules(smiles: str, n: int = 10) -> list[str]: + """Generate a list of molecules that are similar to the input molecule. + + Args: + smiles: SMILES string of the molecule. + n: Number of molecules to generate. + + Returns: + A list of SMILES strings of molecules that are similar to the input molecule. + """ + pass +''' + + +def test_function_prompt(): + prompt = function_to_prompt(predict_solubility) + assert prompt == _predict_solubility_prompt + + prompt = function_to_prompt(generate_derivate_molecules) + assert prompt == _generate_derivate_molecules_prompt + + +def test_system_prompt(): + prompt = get_system_prompt( + template=SYSTEM_PROMPT_TEMPLATE, + functions=[predict_solubility, generate_derivate_molecules], + ) + assert _predict_solubility_prompt in prompt + assert _generate_derivate_molecules_prompt in prompt + + # test with defaults + prompt = get_system_prompt() + assert _predict_solubility_prompt in prompt + assert _generate_derivate_molecules_prompt in prompt diff --git a/tests/unit/test_webapp.py b/tests/unit/test_webapp.py new file mode 100644 index 00000000..6549c30f --- /dev/null +++ b/tests/unit/test_webapp.py @@ -0,0 +1,15 @@ +from gpt_code_ui.webapp.prompts import type_to_string + + +def test_type_to_string(): + # test simple types + assert type_to_string(int) == "int" + assert type_to_string(str) == "str" + assert type_to_string(float) == "float" + + # test generic types + assert type_to_string(list[int]) == "list[int]" + assert type_to_string(list[str]) == "list[str]" + + # test None + assert type_to_string(None) == "None" diff --git a/workspace/.gitignore b/workspace/.gitignore deleted file mode 100644 index c96a04f0..00000000 --- a/workspace/.gitignore +++ /dev/null @@ -1,2 +0,0 @@ -* -!.gitignore \ No newline at end of file