navan
/
Curie-Web
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unused imports and removed commented code

This commit is contained in:
Navan Chauhan 2020-07-07 12:02:20 +05:30
parent 12dbe58a50
commit c74428d94a
2 changed files with 0 additions and 17 deletions
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10
tests/backendTest.py
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@ -65,9 +65,6 @@ if r[9] != None:
import os import os
cd = os.getcwd() cd = os.getcwd()
f = os.path.join(cd,"static/uploads") f = os.path.join(cd,"static/uploads")
#t = os.path.join(f,"receptor",target)
#r = os.path.join(f,"ligands",ligand)
#c = os.path.join(f,"configs",config)
if ".pdbqt" not in receptor_name: if ".pdbqt" not in receptor_name:
receptor_name+=".pdbqt" receptor_name+=".pdbqt"
@ -77,15 +74,11 @@ if ".pdbqt" not in ligand_name:
print(f) print(f)
import tempfile import tempfile
from shutil import copy
from shutil import make_archive from shutil import make_archive
with tempfile.TemporaryDirectory() as directory: with tempfile.TemporaryDirectory() as directory:
print('The created temporary directory is %s' % directory) print('The created temporary directory is %s' % directory)
os.chdir(directory) os.chdir(directory)
# copy(t,os.getcwd())
# copy(r,os.getcwd())
# copy(c, os.getcwd())
file = open(receptor_name,"wb") file = open(receptor_name,"wb")
file.write(targetB) file.write(targetB)
file.close() file.close()
@ -96,12 +89,9 @@ with tempfile.TemporaryDirectory() as directory:
file.write(configB) file.write(configB)
file.close() file.close()
os.system("docker run --rm -v ${PWD}:/results -w /results -u $(id -u ${USER}):$(id -g ${USER}) navanchauhan/curie-cli -r %s -l %s -c config.txt -dpi" % (receptor_name,ligand_name)) os.system("docker run --rm -v ${PWD}:/results -w /results -u $(id -u ${USER}):$(id -g ${USER}) navanchauhan/curie-cli -r %s -l %s -c config.txt -dpi" % (receptor_name,ligand_name))
#copy("report.pdf",f)
z = "Curie_Web_Result_"+str(jobID) z = "Curie_Web_Result_"+str(jobID)
zi = os.path.join(f,z) zi = os.path.join(f,z)
make_archive(zi, 'zip', directory) make_archive(zi, 'zip', directory)
#copy(("Curie_Web_Result_"+str(jobID)),f)
email(zi) email(zi)
#print((str(zi) + ".zip"))
mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID)) mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID))
mycon.commit() mycon.commit()

7
tests/dbTestFiller.py
View File

@ -16,11 +16,6 @@ try:
except con.ProgrammingError: except con.ProgrammingError:
print("Table Already Exists!") print("Table Already Exists!")
#try:
# mycursor.execute("insert into curieweb values (1,'navanchauhan@gmail.com','lu.pdbqt','test.pdbqt','owo.txt',CURDATE(),'CURIE WEB TASK',0)")
#except con.IntegrityError:
# print("Duplicate Entry For Primary Key!")
from random import choice, shuffle from random import choice, shuffle
from string import digits, ascii_lowercase from string import digits, ascii_lowercase
@ -36,8 +31,6 @@ def convertToBinaryData(filename):
binaryData = file.read() binaryData = file.read()
return binaryData return binaryData
from os.path import basename
ligand = convertToBinaryData("./files/Eucalyptol.pdbqt") ligand = convertToBinaryData("./files/Eucalyptol.pdbqt")
receptor = convertToBinaryData("./files/6LU7.pdbqt") receptor = convertToBinaryData("./files/6LU7.pdbqt")
config = convertToBinaryData("./files/6LU7.txt") config = convertToBinaryData("./files/6LU7.txt")