def __init__(self, name, status = 'keep'): NTlist.__init__(self) ProjectListMember.__init__(self) # Initialized objectPath self.__CLASS__ = 'ResonanceList' self.name = name # Name of the list self.status = status # Status of the list; 'keep' indicates storage required self.currentId = 0 # Id for each element of list self._idDict = {} # dictionary to look up id in case the list is sorted differently self._byItem = None # if not None: list was sorted _byItem. self.vascoResults = NTdict() # See applyVascoChemicalShiftCorrections # NB match with VASCO_RESULTS_STR self.vascoApplied = False # VASCO_APPLIED_STR self.bmrb_id = None # Will be derived from name when calling rename. self.rogScore = ROGscore() self.SMLhandler.SML_SAVE_ATTRIBUTE_LIST = self.SML_SAVE_ATTRIBUTE_LIST self.rename(name) # Triggers setting self.bmrb_id
def __init__(self, molecule, residueList): NTlist.__init__( self ) self.molecule = molecule for i in range(0,molecule.modelCount): mName = sprintf('%s_model_%d', molecule.name, i) m = PhiPsiModelList(mName, i ) self.append( m ) #end for # Assemble the phi,psi of the models from residueList for res in residueList: # if res and res.has_key('PHI') and res.has_key('PSI'): if res and res.has_key('PHI') and res.has_key('PSI') and res.has_key('Cb4N') and res.has_key('Cb4C'): for i in range(0,molecule.modelCount): #print '>>', res, i,molecule.modelCount,len(res.PHI),len(res.PSI),len(res.Cb4N),len(res.Cb4C) # self[i].append(res.PHI[i],res.PSI[i]) self[i].append(res.PHI[i],res.PSI[i],res.Cb4N[i],res.Cb4C[i]) self[i].last().residue = res
def __init__(self, name, status = 'keep'): NTlist.__init__(self) ProjectListMember.__init__(self) # Initialized objectPath self.__CLASS__ = 'RestraintList' self.name = name # Name of the list self.status = status # Status of the list; 'keep' indicates storage required self.currentId = 0 # Id for each element of list self._idDict = {} # dictionary to look up id in case the list is sorted differently self._byItem = None # if not None: list was sorted _byItem. self.projectList = None self.rmsd = None # rmsd per model, None indicate no analysis done self.rmsdAv = 0.0 self.rmsdSd = 0.0 self.violAv = 0.0 self.violMaxAll = 0.0 self.violCount1 = 0 # Total violations over 0.1 A (1 degree) self.violCount3 = 0 # Total violations over 0.3 A (3 degrees) self.violCount5 = 0 # Total violations over 0.5 A (5 degrees)
def __init__( self, rowSize, colSize, default=None ): NTlist.__init__( self ) for _i in range(rowSize): self.append(nTfill(default, colSize)) self.rowSize = rowSize self.colSize = colSize
def __init__(self): NTlist.__init__(self)
def __init__(self, name, index ): NTlist.__init__(self) self.name = name self.index = index
def __init__(self, *args): NTlist.__init__(self, *args)