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Merged
StephenNneji merged 10 commits into from
Sep 18, 2025
Merged

Unify save methods #180

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e9208d1
Unify save method for controls
StephenNneji Sep 8, 2025
62df2a9
Fixes for plots popping up in RasCAL
StephenNneji Sep 10, 2025
3211841
Fixing build
StephenNneji Sep 11, 2025
b939441
Fix ruff version
StephenNneji Sep 11, 2025
f0f9dee
fix
StephenNneji Sep 11, 2025
53c2618
fix
StephenNneji Sep 11, 2025
eb88023
Adds progress callback to corner plot and updates example to use scipy
StephenNneji Sep 15, 2025
ad2ac56
enable openmp windows
StephenNneji Sep 17, 2025
ffc53ca
Addresses review comments
StephenNneji Sep 17, 2025
3e87bf1
refactors makeLayer in example
StephenNneji Sep 18, 2025
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14 changes: 7 additions & 7 deletions .github/workflows/build_wheel.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ jobs:
strategy:
fail-fast: true
matrix:
platform: [windows-latest, ubuntu-latest, macos-13, macos-14]
platform: [windows-2022, ubuntu-latest, macos-13, macos-14]
env:
CIBW_SKIP: 'pp*'
CIBW_ARCHS: 'auto64'
Expand All @@ -34,19 +34,19 @@ jobs:
- name: Install OMP (MacOS Intel)
if: matrix.platform == 'macos-13'
run: |
brew install llvm libomp
echo "export CC=/usr/local/opt/llvm/bin/clang" >> ~/.bashrc
echo "export CXX=/usr/local/opt/llvm/bin/clang++" >> ~/.bashrc
brew install llvm@20 libomp
echo "export CC=/usr/local/opt/llvm@20/bin/clang" >> ~/.bashrc
echo "export CXX=/usr/local/opt/llvm@20/bin/clang++" >> ~/.bashrc
echo "export CFLAGS=\"$CFLAGS -I/usr/local/opt/libomp/include\"" >> ~/.bashrc
echo "export CXXFLAGS=\"$CXXFLAGS -I/usr/local/opt/libomp/include\"" >> ~/.bashrc
echo "export LDFLAGS=\"$LDFLAGS -Wl,-rpath,/usr/local/opt/libomp/lib -L/usr/local/opt/libomp/lib -lomp\"" >> ~/.bashrc
source ~/.bashrc
- name: Install OMP (MacOS M1)
if: matrix.platform == 'macos-14'
run: |
brew install llvm libomp
echo "export CC=/opt/homebrew/opt/llvm/bin/clang" >> ~/.bashrc
echo "export CXX=/opt/homebrew/opt/llvm/bin/clang++" >> ~/.bashrc
brew install llvm@20 libomp
echo "export CC=/opt/homebrew/opt/llvm@20/bin/clang" >> ~/.bashrc
echo "export CXX=/opt/homebrew/opt/llvm@20/bin/clang++" >> ~/.bashrc
echo "export CFLAGS=\"$CFLAGS -I/opt/homebrew/opt/libomp/include\"" >> ~/.bashrc
echo "export CXXFLAGS=\"$CXXFLAGS -I/opt/homebrew/opt/libomp/include\"" >> ~/.bashrc
echo "export LDFLAGS=\"$LDFLAGS -Wl,-rpath,/opt/homebrew/opt/libomp/lib -L/opt/homebrew/opt/libomp/lib -lomp\"" >> ~/.bashrc
Expand Down
2 changes: 2 additions & 0 deletions .github/workflows/run_ruff.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -8,5 +8,7 @@ jobs:
steps:
- uses: actions/checkout@v4
- uses: astral-sh/ruff-action@v3
with:
version: "0.12.x"
- run: ruff format --check

14 changes: 7 additions & 7 deletions .github/workflows/run_tests.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ jobs:
strategy:
fail-fast: false
matrix:
platform: [windows-latest, ubuntu-latest, macos-13, macos-14]
platform: [windows-2022, ubuntu-latest, macos-13, macos-14]
version: ["3.10", "3.13"]
defaults:
run:
Expand All @@ -38,19 +38,19 @@ jobs:
- name: Install OMP (MacOS Intel)
if: matrix.platform == 'macos-13'
run: |
brew install llvm libomp
echo "export CC=/usr/local/opt/llvm/bin/clang" >> ~/.bashrc
echo "export CXX=/usr/local/opt/llvm/bin/clang++" >> ~/.bashrc
brew install llvm@20 libomp
echo "export CC=/usr/local/opt/llvm@20/bin/clang" >> ~/.bashrc
echo "export CXX=/usr/local/opt/llvm@20/bin/clang++" >> ~/.bashrc
echo "export CFLAGS=\"$CFLAGS -I/usr/local/opt/libomp/include\"" >> ~/.bashrc
echo "export CXXFLAGS=\"$CXXFLAGS -I/usr/local/opt/libomp/include\"" >> ~/.bashrc
echo "export LDFLAGS=\"$LDFLAGS -Wl,-rpath,/usr/local/opt/libomp/lib -L/usr/local/opt/libomp/lib -lomp\"" >> ~/.bashrc
source ~/.bashrc
- name: Install OMP (MacOS M1)
if: matrix.platform == 'macos-14'
run: |
brew install llvm libomp
echo "export CC=/opt/homebrew/opt/llvm/bin/clang" >> ~/.bashrc
echo "export CXX=/opt/homebrew/opt/llvm/bin/clang++" >> ~/.bashrc
brew install llvm@20 libomp
echo "export CC=/opt/homebrew/opt/llvm@20/bin/clang" >> ~/.bashrc
echo "export CXX=/opt/homebrew/opt/llvm@20/bin/clang++" >> ~/.bashrc
echo "export CFLAGS=\"$CFLAGS -I/opt/homebrew/opt/libomp/include\"" >> ~/.bashrc
echo "export CXXFLAGS=\"$CXXFLAGS -I/opt/homebrew/opt/libomp/include\"" >> ~/.bashrc
echo "export LDFLAGS=\"$LDFLAGS -Wl,-rpath,/opt/homebrew/opt/libomp/lib -L/opt/homebrew/opt/libomp/lib -lomp\"" >> ~/.bashrc
Expand Down
13 changes: 5 additions & 8 deletions ratapi/controls.py
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Original file line number Diff line number Diff line change
Expand Up @@ -233,19 +233,16 @@ def delete_IPC(self):
os.remove(self._IPCFilePath)
return None

def save(self, path: Union[str, Path], filename: str = "controls"):
def save(self, filepath: Union[str, Path] = "./controls.json"):
"""Save a controls object to a JSON file.

Parameters
----------
path : str or Path
The directory in which the controls object will be written.
filename : str
The name for the JSON file containing the controls object.

filepath : str or Path
The path to where the controls file will be written.
"""
file = Path(path, f"{filename.removesuffix('.json')}.json")
file.write_text(self.model_dump_json())
filepath = Path(filepath).with_suffix(".json")
filepath.write_text(self.model_dump_json())

@classmethod
def load(cls, path: Union[str, Path]) -> "Controls":
Expand Down
9 changes: 4 additions & 5 deletions ratapi/examples/normal_reflectivity/custom_XY_DSPC.py
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Original file line number Diff line number Diff line change
@@ -1,8 +1,7 @@
"""A custom XY model for a supported DSPC bilayer."""

import math

import numpy as np
from scipy.special import erf


def custom_XY_DSPC(params, bulk_in, bulk_out, contrast):
Expand Down Expand Up @@ -114,7 +113,7 @@ def custom_XY_DSPC(params, bulk_in, bulk_out, contrast):
totSLD = sldSilicon + sldOxide + sldHeadL + sldTails + sldHeadR + sldWat

# Make the SLD array for output
SLD = [[a, b] for (a, b) in zip(z, totSLD)]
SLD = np.column_stack((z, totSLD))

return SLD, subRough

Expand All @@ -132,8 +131,8 @@ def layer(z, prevLaySurf, thickness, height, Sigma_L, Sigma_R):
a = (z - left) / ((2**0.5) * Sigma_L)
b = (z - right) / ((2**0.5) * Sigma_R)

erf_a = np.array([math.erf(value) for value in a])
erf_b = np.array([math.erf(value) for value in b])
erf_a = erf(a)
erf_b = erf(b)

VF = np.array((height / 2) * (erf_a - erf_b))

Expand Down
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