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-rw-r--r--api.py62
1 files changed, 56 insertions, 6 deletions
diff --git a/api.py b/api.py
index 57ac547..fd5dfe9 100644
--- a/api.py
+++ b/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))