Python Molecule示例

示例#1

文件： __init__.py 项目： jchodera/pymol

 def reset(self):
     self.nAtom = 0
     self.molecule = chempy.Molecule()
     self.txta = None
     self.inta = None
     self.flta = None
     self.crda = None
     self.bnda = None

示例#2

 def reset(self):
     self.index = None
     self.molecule = chempy.Molecule()
     self.atom = []
     self.bond = []