import os.path
xml_dir = '../xml/'
if not os.path.exists(xml_dir):
os.makedirs(xml_dir)
# width fot text wrap
HTML_WRAP_WIDTH = 79
courseName = "$course$/Default for Chemistry/Reactant/"
path = "http://opsin.ch.cam.ac.uk/opsin/"
question_count = 1
products_all = func.get_molecules()
# Open a file to write
f = open(xml_dir + "miss_react_jme.xml", "w")
print "Name of the file: ", f.name
f.write('<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n')
f.write('<quiz>\n')
f.close()
for products in products_all:
reagents_all = func.get_reagents_react(products[4]) # products - fgroup
for reagents in reagents_all:
react_group = reagents[1] # reagents - reactant
react_base = products[1] # products - base
# Create by Hanlin Hu
# On Nov 06 2016
# Copyright: All rights reserved
#!/usr/bin/env python2.7
import sys
sys.path.append('../')
import lib.functions as func
cursor = func.get_molecules()
for row in cursor:
print(row)
#!/usr/bin/env python2.7
import sys
sys.path.append('../')
import lib.functions as func
import lib.cirpy as cir # ref: http://cirpy.readthedocs.io/en/latest/
import os.path
smi_dir = '../smi/'
if not os.path.exists(smi_dir):
os.makedirs(smi_dir)
extension_name = '.smi'
molecules_all = func.get_molecules()
for molecules in molecules_all:
molecules_name = molecules[0] # molecules name
molecules_smi = cir.resolve(str(molecules_name), 'smiles')
file_name = molecules_name
f = open(str(smi_dir) + str(file_name) + str(extension_name),
'w+') # w+ : write (overwrite exists)
f.write(str(molecules_smi))
f.close()
print "Finish"
import os.path
xml_dir = '../xml/'
if not os.path.exists(xml_dir):
os.makedirs(xml_dir)
# width fot text wrap
HTML_WRAP_WIDTH = 79
courseName = "$course$/Default for Chemistry/Product/"
path = "http://opsin.ch.cam.ac.uk/opsin/"
question_count = 1
reactants_all = func.get_molecules()
# Open a file to write
f = open(xml_dir + "miss_prod_jme.xml", "w")
print "Name of the file: ", f.name
f.write('<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n')
f.write('<quiz>\n')
f.close()
for reactants in reactants_all:
reagents_all = func.get_reagents_prod(reactants[4]) # reagents - fgroup
for reagents in reagents_all:
prod_group = reagents[2] # reagents - product
prod_base = reactants[1] # reactants - base