def sortKeys(self):
"""Sorts the dme list by upperChange"""
a = zip(self._keys,nTzap(self.values(),'upperChange'))
NTsort(a, 1, inplace=True)
a.reverse()
self._keys = nTzap(a,0)
# (RES_LEVEL, 'PDBLST', None, 'List of residues', 'List of residues'),
# (RES_LEVEL, 'PL3CHK', None, 'Side chain planarity with hydrogens attached', 'NA planarity'),
# (RES_LEVEL, 'PLNCHK', 'planarities', 'Protein side chain planarities', 'Protein SC planarity'),
# (RES_LEVEL, 'PRECHK', None, 'Missing backbone atoms.', 'Missing backbone atoms.'),
# (RES_LEVEL, 'PUCCHK', None, 'Ring puckering in Prolines', 'Ring puckering in Prolines'),
# (RES_LEVEL, 'QUACHK', 'packingQuality1','Directional Atomic Contact Analysis, aka 1st generation packing quality', 'Packing quality'),
# (RES_LEVEL, 'RAMCHK', 'ramachandran', 'Ramachandran Z-score', 'Ramachandr.' ),
# (RES_LEVEL, 'ROTCHK', 'rotamer', 'Rotamers', 'Rotamer normality'),
# (RES_LEVEL, 'SCOLST', None, 'List of symmetry contacts', 'List of symmetry contacts'),
# (RES_LEVEL, 'TO2CHK', None, 'Missing C-terminal groups', 'Missing C-terminal groups'),
# (RES_LEVEL, 'TOPPOS', None, 'Ligand without know topology', 'Ligand without know topology'),
# (RES_LEVEL, 'TORCHK', None, 'Unknown check', 'Unknown check'),
# (RES_LEVEL, 'WIOPAC', None, 'Water packing', 'Water packing')
]
cingNameDict = NTdict( zip( nTzap(nameDefs,1), nTzap(nameDefs,2)) )
nameDict = NTdict( zip( nTzap(nameDefs,1), nTzap(nameDefs,3)) )
shortNameDict = NTdict( zip( nTzap(nameDefs,1), nTzap(nameDefs,4)) )
cingNameDict.keysformat()
nameDict.keysformat()
shortNameDict.keysformat()
wiPlotList = []
# GV: moved to outer level to not always call createHtmlWhatif
wiPlotList.append( ('_01_backbone_chi','QUA/RAM/BBC/C12') )
wiPlotList.append( ('_02_bond_angle','BND/ANG/NQA/PLNCHK') )
wiPlotList.append( ('_03_steric_acc_flip','BMP/ACC/FLP/CHI') )
# Whatif id's for summary; will be keys in molecule[WHATIF_STR] dict
# Make them available to 'outside world through the Whatif class
def zap(self, byItem):
return nTzap(self.values(), byItem)