From b296e4d2771088d2fd567eca19c2696d8248dbd8 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Tue, 7 Jul 2020 11:41:42 +0530
Subject: Moved tests in a seperate folder

---
 tests/backendTest.py | 100 +++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 100 insertions(+)
 create mode 100644 tests/backendTest.py

(limited to 'tests/backendTest.py')

diff --git a/tests/backendTest.py b/tests/backendTest.py
new file mode 100644
index 0000000..470444c
--- /dev/null
+++ b/tests/backendTest.py
@@ -0,0 +1,100 @@
+import mysql.connector as con
+
+mycon = con.connect(host="navanspi.duckdns.org",user="curieweb",password="curie-web-russian-54",port=3306,database="curie")
+mycursor = mycon.cursor()
+
+# If we are running the CI on an actual server, try using the 6LU7 Mpro and Geraniin Job ID because Eucalyptol fails
+sql_select_Query = 'select * from curieweb where id="l9xo2isr98oepcia" LIMIT 1'
+mycursor.execute(sql_select_Query)
+
+records = mycursor.fetchall()
+
+def email(zi):
+    import smtplib 
+    from email.mime.multipart import MIMEMultipart 
+    from email.mime.text import MIMEText 
+    from email.mime.base import MIMEBase 
+    from email import encoders 
+    
+    fromaddr = "navanchauhan@gmail.com"
+    toaddr = toEmail
+    
+    msg = MIMEMultipart()  
+    msg['From'] = fromaddr 
+    msg['To'] = toaddr   
+    msg['Subject'] = "Curie Web Results for Job ID " + str(jobID)
+    body = "Attached Zip contains the docked files, PLIP report and PyMOL Visualisations. If the ZIP file does not contain these files, please report this issue by replying to this email. Job was submitted on {} with the description {}".format(date, description)
+    
+    msg.attach(MIMEText(body, 'plain')) 
+    filename = "Curie_Web_Results_Job_ID_" + str(jobID) + ".zip"
+    attachment = open((str(zi) + ".zip"), "rb") 
+    p = MIMEBase('application', 'octet-stream') 
+    p.set_payload((attachment).read()) 
+    encoders.encode_base64(p) 
+    p.add_header('Content-Disposition', "attachment; filename= %s" % filename) 
+    msg.attach(p) 
+    
+    s = smtplib.SMTP('smtp.gmail.com', 587) 
+    s.starttls() 
+    s.login(fromaddr, 'ircd mday avbc tice') 
+    
+    text = msg.as_string() 
+    
+    s.sendmail(fromaddr, toaddr, text) 
+    s.quit() 
+
+receptor_name = "protein.pdbqt"
+ligand_name = "ligand.pdbqt"
+description = "GitHub Action Test"
+
+#print(records[0])
+r = records[0]
+jobID = r[0]
+toEmail = r[1]
+targetB = r[2]
+if r[3] != None:
+    receptor_name = str(r[3])
+if r[6] != None:
+    ligand_name = str(r[6])
+ligandB = r[4]
+configB = r[7]
+date = r[8]
+if r[9] != None:
+    description = r[9]
+
+import os
+cd = os.getcwd()
+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)
+print(f)
+import tempfile
+from shutil import copy
+from shutil import make_archive
+
+with tempfile.TemporaryDirectory() as directory:
+    print('The created temporary directory is %s' % directory)
+    os.chdir(directory)
+#    copy(t,os.getcwd())
+#    copy(r,os.getcwd())
+#    copy(c, os.getcwd())
+    file = open(receptor_name,"wb")
+    file.write(targetB)
+    file.close()
+    file = open(ligand_name,"wb")
+    file.write(ligandB)
+    file.close()
+    file = open("config.txt","wb")
+    file.write(configB)
+    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))
+    #copy("report.pdf",f)
+    z = "Curie_Web_Result_"+str(jobID)
+    zi = os.path.join(f,z)
+    make_archive(zi, 'zip', directory)
+    #copy(("Curie_Web_Result_"+str(jobID)),f)
+    email(zi)
+    #print((str(zi) + ".zip"))
+    mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID))
+    mycon.commit()    
\ No newline at end of file
-- 
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