示例#1
0
文件: rtf.py 项目: jo-sm/charmminglib
 def __init__(self, fname, mode='r', buffering=None):
     self.mass = None
     self.residue = None
     self.patch = None
     #
     self.commands = mydict()
     super(RTFFile, self).__init__(fname, mode, buffering)
示例#2
0
文件: prm.py 项目: jo-sm/charmminglib
 def __init__(self, fname, mode='r', buffering=None):
     self.atom = None
     self.bond = None
     self.angle = None
     self.dihedral = None
     self.improper = None
     self.cmap = None
     self.nonbond = None
     self.nbfix = None
     self.hbond = None
     #
     self.commands = mydict()
     super(PRMFile, self).__init__(fname=fname, mode=mode,
                                 buffering=buffering)