#dipole derivative from mode import Mode class DD(object): def __init__(self): self.resID = 1 self.atomName = '' self.resName = '' self.coordinates = [0.0 ,0.0 ,0.0] self.bFactor = 0.0 self.tag = '' self.modes = [] def printCoordinates(self): return (str(self.coordinates[0]) + ' ' + str(self.coordinates[1]) + ' ' + str(self.coordinates[2])) def printMode(self, modeNumber): return (self.modes[modeNumber-1]).printMode()