Created
September 14, 2012 09:57
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Automation of conversion from ChemSketch files to Mol files
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import pywinauto | |
import os | |
import doctest | |
from pywinauto import application | |
from time import sleep | |
from pywinauto.timings import Timings | |
Timings.Slow() | |
Timings.after_sendkeys_key_wait =0.015 | |
Timings.after_menu_wait =0.1 | |
Timings.after_click_wait =0.2 | |
Timings.after_closeclick_wait =0.2 | |
path_to_files = "C:\\My Documents\\Mini Projects\\sk2ToMol\\input\\" | |
path_to_output = "C:\\My Documents\\Mini Projects\\sk2ToMol\\output\\" | |
def escape(filename): | |
"""Escape the filename | |
>>> escape("(3-ethoxypropyl)mercury bromide.sk2") | |
'{(}3-ethoxypropyl{)}mercury bromide.sk2' | |
""" | |
newfilename = filename.replace("(", "{(}").replace(")", "{)}") | |
return newfilename | |
if __name__ == "__main__": | |
doctest.testmod() | |
dir = os.listdir(path_to_files); | |
app = application.Application() | |
dontConvert = False # Set to True to skip successfully converted files | |
for filename in dir: | |
if filename.endswith("ContinueHere.sk2"): | |
dontConvert = False | |
if dontConvert: | |
continue | |
window = app.window_(title_re='ACD/ChemSketch.*\.sk2') | |
window.TypeKeys("^o") | |
window2 = app.window_(title_re='Open Document') | |
window2.TypeKeys("%n") | |
filename = path_to_files + escape(filename) | |
window2.TypeKeys(filename +"%o", with_spaces = True) | |
sleep(0.2) | |
window.TypeKeys("%fe") | |
window3 = app.window_(title_re='Export') | |
window3.TypeKeys("{ENTER}"); | |
window = app.window_(title_re='ACD/ChemSketch.*\.sk2') | |
sleep(0.5) | |
window.TypeKeys("^w") |
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