예제 #1
0
 def writeBond(self, bond, configuration, distance):
     p1 = bond.a1.position(configuration)
     p2 = bond.a2.position(configuration)
     if p1 is not None and p2 is not None:
         bond_vector = 0.5*distance(bond.a1, bond.a2, configuration)
         cut = bond_vector != 0.5*(p2-p1)
         if not cut:
             c = VRML.Line(p1, p2, material = self.bond_material)
             c.writeToFile(self)
         else:
             c = VRML.Line(p1, p1+bond_vector, material = self.bond_material)
             c.writeToFile(self)
             c = VRML.Line(p2, p2-bond_vector, material = self.bond_material)
             c.writeToFile(self)
예제 #2
0
파일: ConfigIO.py 프로젝트: torkos/MMTK
 def writeBond(self, bond, configuration, distance):
     p1 = bond.a1.position(configuration)
     p2 = bond.a2.position(configuration)
     if p1 is not None and p2 is not None:
         bond_vector = 0.5 * distance(bond.a1, bond.a2, configuration)
         cut = bond_vector != 0.5 * (p2 - p1)
         color1 = self.atomColor(bond.a1)
         color2 = self.atomColor(bond.a2)
         material1 = VRML.EmissiveMaterial(color1)
         material2 = VRML.EmissiveMaterial(color2)
         if color1 == color2 and not cut:
             c = VRML.Line(p1, p2, material=material1)
             c.writeToFile(self)
         else:
             c = VRML.Line(p1, p1 + bond_vector, material=material1)
             c.writeToFile(self)
             c = VRML.Line(p2, p2 - bond_vector, material=material2)
             c.writeToFile(self)