Q. Sending poscar file to Mat3RA

[utkarshp1161]

import yaml

# Load the YAML file
with open("credential.yaml", "r") as f:
    cred = yaml.safe_load(f)

ACCOUNT_ID = cred["X-Account-Id"]
AUTH_TOKEN = cred["X-Auth-Token"] # @param {type:"string"}
# MATERIALS_PROJECT_API_KEY = cred["materials-project-apikey"] # @param {type:"string"}
ORGANIZATION_ID = ACCOUNT_ID 

from utils.settings import ENDPOINT_ARGS, ACCOUNT_ID
from exabyte_api_client.endpoints.materials import MaterialEndpoints

NAME = "My Material"
POSCAR_PATH = "mp-978534.poscar"

content = ""
with open(POSCAR_PATH) as f:
    content = f.read()
    print(content)

OWNER_ID = ACCOUNT_ID #os.getenv("ORGANIZATION_ID") or ACCOUNT_ID

endpoint = MaterialEndpoints(account_id=ACCOUNT_ID, auth_token=AUTH_TOKEN, port=443, host="platform.mat3ra.com" )
material = endpoint.import_from_file(NAME, content, owner_id=OWNER_ID)

Error:

---------------------------------------------------------------------------
HTTPError                                 Traceback (most recent call last)
Cell In[33], line 9
      6 OWNER_ID = ACCOUNT_ID #os.getenv("ORGANIZATION_ID") or ACCOUNT_ID
      8 endpoint = MaterialEndpoints(account_id=ACCOUNT_ID, auth_token=AUTH_TOKEN, port=443, host="platform.mat3ra.com" )
----> 9 material = endpoint.import_from_file(NAME, content, owner_id=OWNER_ID)

File ~/opt/anaconda3/envs/dmclient_2/lib/python3.8/site-packages/exabyte_api_client/endpoints/materials.py:47, in MaterialEndpoints.import_from_file(self, name, content, owner_id, format, tags)
     33 """
     34 Imports a material from the given file.
     35 
   (...)
     44     dict
     45 """
     46 data = {"name": name, "content": content, "format": format, "owner._id": owner_id, "tags": tags}
---> 47 return self.request("POST", "/".join((self.name, "import")), headers=self.headers, data=json.dumps(data))

File ~/opt/anaconda3/envs/dmclient_2/lib/python3.8/site-packages/exabyte_api_client/endpoints/__init__.py:38, in BaseEndpoint.request(self, method, endpoint_path, params, data, headers)
     24 """
     25 Sends an HTTP request with given params, headers and data to the given endpoint.
     26 
   (...)
     35     json: response
     36 """
     37 with self.conn:
---> 38     self.conn.request(method, endpoint_path, params, data, headers)
     39     response = self.conn.json()
     40     if response["status"] != "success":

File ~/opt/anaconda3/envs/dmclient_2/lib/python3.8/site-packages/exabyte_api_client/utils/http.py:147, in Connection.request(self, method, endpoint_path, params, data, headers)
    136 """
    137 Sends an HTTP request with given params, headers and data to the given endpoint.
    138 
   (...)
    144     params (dict): URL parameters to append to the URL.
    145 """
    146 url = urllib.parse.urljoin(self.preamble, endpoint_path)
--> 147 super(Connection, self).request(method, url, params, data, headers)

File ~/opt/anaconda3/envs/dmclient_2/lib/python3.8/site-packages/exabyte_api_client/utils/http.py:35, in BaseConnection.request(self, method, url, params, data, headers)
     24 """
     25 Sends an HTTP request with given params, headers and data to the given url.
     26 
   (...)
     32     params (dict): URL parameters to append to the URL.
     33 """
     34 self.response = self.session.request(method=method.lower(), url=url, params=params, data=data, headers=headers)
---> 35 self.response.raise_for_status()

File ~/opt/anaconda3/envs/dmclient_2/lib/python3.8/site-packages/requests/models.py:1024, in Response.raise_for_status(self)
   1019     http_error_msg = (
   1020         f"{self.status_code} Server Error: {reason} for url: {self.url}"
   1021     )
   1023 if http_error_msg:
-> 1024     raise HTTPError(http_error_msg, response=self)

HTTPError: 401 Client Error: Unauthorized for url: https://platform.mat3ra.com:443/api/2018-10-01/materials/import

[utkarshp1161]

The issue was resolved by importing the apiConfig from the Mat3ra JupyterLite environment and using it in the local notebook — specifically in the “Import Materials from Poscar” notebook within Mat3ra JupyterLite.

if sys.platform == "emscripten":
    apiConfig = data_from_host.get("apiConfig")

Using this approach, I was able to send a POSCAR file of MgO (downloaded from Materials Studio) from my local environment to the Mat3ra API via the Jupyter notebook:
pyAutoMic - stemOrchestrator notebooks - Mat3ra integration