unused imports and removed commented code
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parent
12dbe58a50
commit
c74428d94a
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@ -65,9 +65,6 @@ if r[9] != None:
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import os
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cd = os.getcwd()
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f = os.path.join(cd,"static/uploads")
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#t = os.path.join(f,"receptor",target)
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#r = os.path.join(f,"ligands",ligand)
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#c = os.path.join(f,"configs",config)
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if ".pdbqt" not in receptor_name:
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receptor_name+=".pdbqt"
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@ -77,15 +74,11 @@ if ".pdbqt" not in ligand_name:
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print(f)
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import tempfile
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from shutil import copy
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from shutil import make_archive
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with tempfile.TemporaryDirectory() as directory:
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print('The created temporary directory is %s' % directory)
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os.chdir(directory)
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# copy(t,os.getcwd())
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# copy(r,os.getcwd())
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# copy(c, os.getcwd())
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file = open(receptor_name,"wb")
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file.write(targetB)
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file.close()
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@ -96,12 +89,9 @@ with tempfile.TemporaryDirectory() as directory:
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file.write(configB)
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file.close()
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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))
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#copy("report.pdf",f)
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z = "Curie_Web_Result_"+str(jobID)
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zi = os.path.join(f,z)
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make_archive(zi, 'zip', directory)
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#copy(("Curie_Web_Result_"+str(jobID)),f)
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email(zi)
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#print((str(zi) + ".zip"))
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mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID))
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mycon.commit()
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@ -16,11 +16,6 @@ try:
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except con.ProgrammingError:
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print("Table Already Exists!")
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#try:
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# mycursor.execute("insert into curieweb values (1,'navanchauhan@gmail.com','lu.pdbqt','test.pdbqt','owo.txt',CURDATE(),'CURIE WEB TASK',0)")
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#except con.IntegrityError:
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# print("Duplicate Entry For Primary Key!")
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from random import choice, shuffle
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from string import digits, ascii_lowercase
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@ -36,8 +31,6 @@ def convertToBinaryData(filename):
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binaryData = file.read()
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return binaryData
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from os.path import basename
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ligand = convertToBinaryData("./files/Eucalyptol.pdbqt")
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receptor = convertToBinaryData("./files/6LU7.pdbqt")
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config = convertToBinaryData("./files/6LU7.txt")
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