Skip to content

Commit

Permalink
Merge pull request #410 from Steinbeck-Lab/development
Browse files Browse the repository at this point in the history
fix: small typos
  • Loading branch information
NishaSharma14 authored Sep 27, 2023
2 parents 15a36f4 + a6c4575 commit c893cbc
Show file tree
Hide file tree
Showing 2 changed files with 15 additions and 15 deletions.
20 changes: 10 additions & 10 deletions app/routers/chem.py
Original file line number Diff line number Diff line change
Expand Up @@ -174,12 +174,12 @@ async def get_descriptors(
- **SMILES**: required (query): The SMILES representation of the molecule.
- **format**: optional (query): The desired format for the output.
- Supported values: "html" / "json" (default), "json".
- **toolkit**: optional (query): The chemical toolkit to use for descriptor calculation. Default is "rdkit". Allowed "all", "cdk".
- **toolkit**: optional (query): The chemical toolkit to use for descriptor calculation. The default is "rdkit". Allowed "all", "cdk".
- Supported values: "cdk"/ "rdkit" / "all" (default), "rdkit".
Returns:
- If format is "html", returns an HTML response containing a table of descriptors and their values.
- If format is not "html", returns the descriptors and their values in the specified format (default: JSON).
- If the format is "html", return an HTML response containing a table of the descriptors and their values.
- Return the descriptors and their values in the specified format if the format is not "html" (default: JSON).
Raises:
- None
Expand Down Expand Up @@ -329,10 +329,10 @@ async def hose_codes(
Parameters:
- **SMILES**: required (query): The SMILES string represents the chemical compound.
- **spheres**: required (query): The number of spheres to use for generating HOSE codes.
- **toolkit**: optional (default:cdk): The chemical toolkit to use for generating HOSE codes.
- **toolkit**: optional (default: cdk): The chemical toolkit to use for generating HOSE codes.
Supported values: "cdk" (default), "rdkit".
- **ringsize**: optional (default:False): Determines whether to include information about ring sizes
in the HOSE codes. Default is False.
- **ringsize**: optional (default: False): Determines whether to include information about ring sizes
in the HOSE codes. The default is False.
Returns:
- List[str]: A list of HOSE codes if successful, indicating the HOSE codes
Expand Down Expand Up @@ -479,11 +479,11 @@ async def check_errors(
- **fix**: optional (bool): Flag indicating whether to fix the issues by standardizing the SMILES. Defaults to False.
Returns:
- If fix is False:
- If the fix is False:
- If issues are found in the SMILES string, return a list of issues.
- If no issues are found, return the string "No Errors Found".
- If fix is True:
- If the fix is True:
- If issues are found in the SMILES string, return a dictionary containing the original SMILES, original issues,
standardized SMILES, and new issues after standardization.
- If no issues are found after standardization, return a dictionary with the original SMILES and "No Errors Found".
Expand Down Expand Up @@ -619,7 +619,7 @@ async def tanimoto_similarity(
radius: Optional[int] = Query(
"6",
title="radius size - ECFP",
description="ECFP 2/4/6 are allowed for using CDK Circular finger printer. Default is 6",
description="ECFP 2/4/6 are allowed for using CDK Circular fingerprinter. The default is 6",
),
):
"""
Expand Down Expand Up @@ -826,7 +826,7 @@ async def classyfire_result(jobid: str):

if jobid:
try:
# Replace with your function to retrieve result
# Replace with your function to retrieve the result
data = await result(jobid)
return data
except Exception as e:
Expand Down
10 changes: 5 additions & 5 deletions app/routers/ocsr.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,7 @@ def get_health() -> HealthCheck:
"""
## Perform a Health Check
Endpoint to perform a health check on. This endpoint can primarily be used by Docker
to ensure a robust container orchestration and management is in place. Other
to ensure a robust container orchestration and management are in place. Other
services that rely on the proper functioning of the API service will not deploy if this
endpoint returns any other HTTP status code except 200 (OK).
Returns:
Expand Down Expand Up @@ -78,7 +78,7 @@ async def Extract_ChemicalInfo_From_File(
reference: str = Body(
None,
embed=True,
description="User defined reference information for tracking",
description="User-defined reference information for tracking",
),
img: str = Body(
None,
Expand All @@ -91,7 +91,7 @@ async def Extract_ChemicalInfo_From_File(
Parameters:
- **path**: optional if img is provided (str): Local or Remote path to the image file.
- **reference**: optional (str): User defined reference information for tracking.
- **reference**: optional (str): User-defined reference information for tracking.
- **img**: optional if a valid path is provided (str): Image: Bytes content of the chemical structure depiction image.
Returns:
Expand Down Expand Up @@ -171,11 +171,11 @@ async def extract_chemicalinfo_from_upload(
)
except Exception as e:
raise HTTPException(
status_code=422, detail="Error processimg the image: " + str(e)
status_code=422, detail="Error processing the image: " + str(e)
)
except Exception as e:
raise HTTPException(
status_code=422, detail="Error processimg the image: " + str(e)
status_code=422, detail="Error processing the image: " + str(e)
)
finally:
file.file.close()

0 comments on commit c893cbc

Please sign in to comment.