added add_h parameter in conversion

src/app.py

@@ -6,7 +6,7 @@ from fastapi.exceptions import HTTPException
 from fastapi.middleware.cors import CORSMiddleware
 
 # from fastapi.requests import Request
-from fastapi.responses import Response
+from fastapi.responses import JSONResponse
 from fastapi_cache import FastAPICache
 from fastapi_cache.backends.redis import RedisBackend
 from fastapi_cache.decorator import cache
@@ -54,8 +54,8 @@ def convert_molecule(req: ConvertRequest):
         # Rad the string and format from request
         mol = pybel.readstring(req.format, req.text)
 
-        mol.addh()
-
+        if req.add_hydrogen:
+            mol.addh()
         if req.convert_3d:
             mol.make3D()
         if req.optimize_geometry:
@@ -79,7 +79,7 @@ def convert_molecule(req: ConvertRequest):
         )
 
         mol2string = mol.write("xyz")
-        return Response({"molfile": mol2string}, 200)
+        return JSONResponse({"molfile": mol2string}, 200)
     except Exception as e:
         raise HTTPException(status_code=400, detail={"error": str(e)})
 

src/request_response_models.py

@@ -4,6 +4,7 @@ from pydantic import BaseModel
 class ConvertRequest(BaseModel):
     text: str
     format: str  # e.g. "mol", "smi", "sdf", "inchi", etc.
+    add_hydrogen: bool = False
     convert_3d: bool = False
     optimize_geometry: bool = False