def gui_smiles_text_callback(smiles):
"""
Take form input and attempt a SMILES dictionary lookup.
Otherwise considered actual SMILES input.
"""
informalName = None
ex = get_example(smiles)
if ex:
informalName = ex[1]
smiles = ex[2]
print ">>> Using %s per input.\n" % informalName
parse_smiles_text(smiles, informalName)
def gui_smiles_text_callback(smiles): """ Take form input and attempt a SMILES dictionary lookup. Otherwise considered actual SMILES input. """ informalName = None ex = get_example(smiles) if ex: informalName = ex[1] smiles = ex[2] print ">>> Using %s per input.\n" % informalName parse_smiles_text(smiles, informalName)
def main():
parser = argparse.ArgumentParser()
parser.add_argument('model', help='name of the model to attack')
parser.add_argument('--image', type=int, default=0)
parser.add_argument('--accuracy',
action='store_true',
help='first determines the accuracy of the model')
parser.add_argument('--save',
type=str,
default=None,
help='filename to save result to')
# hyperparameters
parser.add_argument('--regions', type=int, default=400)
parser.add_argument('--iterations', type=int, default=500)
parser.add_argument('--gamma',
type=int,
default=6,
help='hyperparam of region selection')
parser.add_argument('--misc-factor', type=float, default=75.)
# advanced control over certain aspects (only if you know what you are doing)
parser.add_argument('--nth-likely-class-starting-point',
type=int,
default=None)
parser.add_argument('--no-line-search', action='store_true')
parser.add_argument('--max-other-classes', type=int, default=None)
parser.add_argument('--no-normalization', action='store_true')
args = parser.parse_args()
logging.getLogger().setLevel(logging.INFO)
if args.save is not None:
if os.path.exists(args.save):
logging.warning(
f'not runnning because results already exist: {args.save}')
return
result = run(*get_example(args.model), args=args)
if args.save is not None:
directory = os.path.dirname(args.save)
if len(directory) > 0 and not os.path.exists(directory):
os.makedirs(directory)
with open(args.save, 'wb') as f:
pickle.dump(result, f)
def main():
"""Main function"""
# Extract arguments or get random SMILES
smiles = None
informalName = None
ex = get_example(None if len(sys.argv) < 2 else sys.argv[1])
if not ex:
smiles = sys.argv[1]
print "\n>>> Using input `%s` as SMILES.\n" % smiles
else:
informalName = ex[1]
smiles = ex[2]
print "\n>>> Using %s per argument.\n" % informalName
# Init GUI.
win = Window('Chemical Structure Diagram Generation (WIP)')
# Set globals.
Globals.drawable = win.drawable
Globals.debugText = win.debugText
Globals.window = win
Globals.ringGroups = None
Globals.molecule = None
# Set callbacks.
win.drawCallback = gui_draw_callback
win.smilesCallback = gui_smiles_text_callback
# Process initial data.
parse_smiles_text(smiles, informalName)
try:
# Run GUI.
win.run()
except KeyboardInterrupt:
print ""
def main():
"""Main function"""
# Extract arguments or get random SMILES
smiles = None
informalName = None
ex = get_example(None if len(sys.argv) < 2 else sys.argv[1])
if not ex:
smiles = sys.argv[1]
print "\n>>> Using input `%s` as SMILES.\n" % smiles
else:
informalName = ex[1]
smiles = ex[2]
print "\n>>> Using %s per argument.\n" % informalName
# Init GUI.
win = Window('Chemical Structure Diagram Generation (WIP)')
# Set globals.
Globals.drawable = win.drawable
Globals.debugText = win.debugText
Globals.window = win
Globals.ringGroups = None
Globals.molecule = None
# Set callbacks.
win.drawCallback = gui_draw_callback
win.smilesCallback = gui_smiles_text_callback
# Process initial data.
parse_smiles_text(smiles, informalName)
try:
# Run GUI.
win.run()
except KeyboardInterrupt:
print ""
def example_detail(example_id):
return render_template('examples.html',
examples=get_example(example_id),
detail=True)
group = parser.add_mutually_exclusive_group()
group.add_argument("file", help="module file to load puzzle from", type=str, nargs="?")
group.add_argument("-c", "--choice", choices=("a", "b", "c", "d", "f", "m", "s", "t"),
help="Choose one of the default example puzzles and do not load from module file",
type=str, required=False)
parser.add_argument("-d", "--detail", type=int,
help="Detail of log output (higher means more intermediate steps are shown)", required=False)
parser.add_argument("-v", "--verbose", action="store_true", help="Print very detailed log output (every step)")
args = parser.parse_args()
detail = 0
if args.detail:
detail = args.detail
if args.verbose:
detail = -1
start_time = time.process_time()
if args.file:
print(f"Importing grid puzzle from {args.file}")
x = importlib.import_module(args.file)
solver.solve(x.g, detail)
elif args.choice:
g = examples.get_example(args)
solver.solve(g, detail)
else:
raise RuntimeError("Must define input puzzle either via module file or example choice. Run -h to see details.")
elapsed_time = time.process_time() - start_time
print(f"Took {elapsed_time:.4f}s to execute.")
