Commit cb7df423 authored by Fabrice  ALLAIN's avatar Fabrice ALLAIN

doc: updated todo lists

parent 443ecc09
......@@ -1475,9 +1475,9 @@ class ScoringParameters(DataContainer):
return {
'method': ChoiceEntity(("standard", "full"),
description='''\
Scoring method used at the end of each iteration to evaluate energy of each str\
ucture. With 'standard' method, use the same energy set as durin the annealing \
protocol. 'full' allows the use of all energy potentials.''')
CNS scoring method used at the end of each iteration to evaluate energy of each
structure. With 'standard' method, use the same energy as the one used during the
annealing protocol. 'full' allows the use of all energy potentials available.''')
}
def create_default_values(self):
......
......@@ -82,7 +82,7 @@ class StructureEnsembleSettings(Settings):
def create(self):
from .Settings import ChoiceEntity
# TODO: Add korp bin path !!!
choices = ('total_energy', 'restraint_energy', 'noe_violations',
'restraint_violations', 'korp') # BARDIAUX 2.2
msg = 'Structures can be sorted according to: ' + \
......@@ -530,7 +530,7 @@ class StructureEnsemble(AriaBaseClass):
self.__info = info
# BARDIAUX 2.3.1
# BARDIAUX 2.3.1
# required for SuperImposer
def getCoordinates(self):
......@@ -546,7 +546,7 @@ class StructureEnsemble(AriaBaseClass):
self.message("Running KORP on structure ensemble...")
files = self.getFiles()
files = self.getFiles()
if files is None:
return
......
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