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from __future__ import division
import os
import time
try:
import tkinter.filedialog as tkFileDialog
except ImportError:
import tkFileDialog
import logger
import dialogs
from singleton_store import Store
def process_directory(directory):
files = 0
matching = 0
dialog = dialogs.progress_dialog(App, title=_("Search progress"))
files_to_go = [f for f in [os.path.join(directory, filename) for filename in os.listdir(directory)] if os.path.isfile(f) and os.path.splitext(f)[1] in (".svg",".cdml")]
for f in files_to_go:
#print f
dialog.update(files/len(files_to_go), top_text=os.path.split(f)[1], bottom_text=_("Found: %d matching") % matching)
files += 1
App.in_batch_mode = True
if App.add_new_paper(name=f):
if App._load_CDML_file(f, draw=False):
found = False
for mol in App.paper.molecules:
gen = mol.select_matching_substructures(fragment, implicit_freesites=True)
try:
gen.next()
except StopIteration:
pass
else:
found = True
matching += 1
mol.clean_after_search(fragment)
break
if not found:
App.close_current_paper()
else:
App.in_batch_mode = False
[o.draw() for o in App.paper.stack]
App.paper.set_bindings()
App.paper.add_bindings()
else:
App.close_current_paper()
App.in_batch_mode = False
dialog.close()
return files
t = time.time()
selected_mols = [o for o in App.paper.selected_to_unique_top_levels()[0] if o.object_type == 'molecule']
if not selected_mols and len(App.paper.molecules) == 1:
selected_mols = App.paper.molecules
if len(selected_mols) > 1:
Store.log(_("Select only one molecule"), message_type="error")
elif len(selected_mols) == 0:
Store.log(_("Draw a molecule that you want to use as the fragment for search"), message_type="error")
else:
# we may proceed
fragment = selected_mols[0]
directory = tkFileDialog.askdirectory(parent=App,
initialdir=App.save_dir or "./")
if directory:
Store.logger.handling = logger.ignorant
files = process_directory(directory)
t = time.time() - t
#print "%d files, %.2fs, %.2fms per file" % (files, t, 1000*(t/files))
Store.logger.handling = logger.normal
if files:
Store.log(_("Searched %d files, %.2fs, %.2fms per file") % (files, t, 1000*(t/files)))
else:
Store.log(_("No files to search in were found"))
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