added new fetures to API

api.py

@@ -1,10 +1,20 @@
 from app import app as flask_app
 #app.run(debug=True, host="0.0.0.0", port=8080)
-
+from random import choice, shuffle
+from string import digits, ascii_lowercase
 from fastapi import Body,FastAPI
 from fastapi.middleware.wsgi import WSGIMiddleware
 from flask import Flask, escape, request
 from pydantic import BaseModel
+import os, subprocess
+
+
+def gen_word(N, min_N_dig, min_N_low):
+    choose_from = [digits]*min_N_dig + [ascii_lowercase]*min_N_low
+    choose_from.extend([digits + ascii_lowercase] * (N-min_N_low-min_N_dig))
+    chars = [choice(bet) for bet in choose_from]
+    shuffle(chars)
+    return ''.join(chars)
 
 import mysql.connector as con
 mycon = con.connect(host=flask_app.config['DB_HOST'],user=flask_app.config['DB_USER'],password=flask_app.config['DB_PASSWORD'],port=flask_app.config['DB_PORT'],database=flask_app.config['DB_NAME'])
@@ -18,18 +28,16 @@ def flask_main():
 """
 
 app = FastAPI(title="Curie-API",
-    description="API for accessing most of the features.",
+    description="API for accessing some of the features.",
     version="0.1",)
 
 
 @app.get("/v1")
-def API_Version():
+async def API_Version():
     return {"message":"Curie-API v1"}
-    
-
 
 @app.get("/v1/status/{job_id}")
-def get_status(job_id: str):
+async def get_status(job_id: str):
     sqlQuery = 'select id, protein_name, ligand_name, date, description, done from curieweb where id="%s"' % (job_id)
     mycursor.execute(sqlQuery)
     records = mycursor.fetchall()
@@ -38,5 +46,47 @@ def get_status(job_id: str):
     r = records[0]
     return {"job_id":r[0],"Protein Name":r[1],"Ligand Name":r[2],"Submitted On":r[3],"Job Description":r[4],"Job Status":r[5]}
 
+@app.get("/v1/3DModels/{job_id}")
+async def get_models(job_id: str):
+    sqlQuery = 'select done from curieweb where id="%s"' % (job_id)
+    mycursor.execute(sqlQuery)
+    records = mycursor.fetchall()
+    if records == []:
+        return {"message":"Invalid Job ID"}
+    if records[0][0] == 0:
+        return {"message": "The job is still qeued"}
+    return {"USDZ":"/static/uploads/3DModels/" + str(job_id) + ".usdz","glTF":"/static/uploads/3DModels/" + str(job_id) + ".gltf"}
+
+@app.get("/v1/Report/{job_id}")
+async def get_report(job_id:str):
+    sqlQuery = 'select done from curieweb where id="%s"' % (job_id)
+    mycursor.execute(sqlQuery)
+    records = mycursor.fetchall()
+    if records == []:
+        return {"message":"Invalid Job ID"}
+    if records[0][0] == 0:
+        return {"message": "The job is still qeued"}
+    return {"PDF Report":"/static/uploads/reports/"+str(job_id)+".pdf"}
+   
+
+@app.post("/v1/docking/automatic")
+async def docking_automatic(pdb: str, smiles:str,compound_name:str,email:str,description:str):
+    if len(pdb) != 0:
+        return {"message": "Invalid PDB ID"}
+    
+    sqlQuery = "insert into curieweb (id, email, pdb, ligand_smile, ligand_name, date, description) values (%s,%s,%s,%s,%s,CURDATE(),%s) "
+    jobID = gen_word(16, 1, 1)
+    insert_tuple = (jobID,email,pdb,smiles,compound_name,description)
+    """
+    mycursor.execute(sqlQuery,insert_tuple)
+    mycon.commit()
+    if flask_app.config['INSTANT_EXEC']:
+        cwd = os.path.join(os.getcwd(),"app")
+        subprocess.Popen(['python3', 'dock-single.py'],cwd=cwd)
+    """
+
+    return {"jobID":jobID,"message":"Sucessfuly Submitted","PDB ID":pdb,"SMILES":smiles,"email":email}
+    
+
 
 app.mount("/", WSGIMiddleware(flask_app))