diff options
| -rw-r--r-- | api.py | 62 |
1 files changed, 56 insertions, 6 deletions
@@ -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)) |