#mode.py by Nigel S. Michki; part of nmwizConvertor.py #Defines the Mode data type and necessary functions to operate on its data. #A mode consists of a corresponding atom, frequency, and 3-tuple of doubles #which correspond to changes in position from the coordinates of the atom. class Mode(object): def __init__(self): self.number = 1 self.frequency = 1.0 self.atomNumber = 1 self.vector = [0.0, 0.0, 0.0] def printMode(self): return (str(self.vector[0]) + " " + str(self.vector[1]) + " " + str(self.vector[2]))