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SF.py
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SF.py
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###########################################################
#
# SF.py:
# Plugin for solvent flipping
#
# Siddharth Maddali
# Argonne National Laboratory
# January 2020
# 6xlq96aeq@relay.firefox.com
#
###########################################################
from tqdm import tqdm
class Mixin:
def SF( self, num_iterations, show_progress=False ):
if show_progress:
allIterations = tqdm( list( range( num_iterations ) ), desc=' SF' )
else:
allIterations = list( range( num_iterations ) )
for i in allIterations:
self._SupReflect()
self._ModProject()
self._UpdateError()
self._SupProject() # project one last time into the support space
return