def writeAtom(self, atom, configuration): p = atom.position(configuration) if p is None: self.warning = 1 else: color = self.atomColor(atom) s = VRML.Sphere(p, 0.1*Units.Ang, material = VRML.DiffuseMaterial(color), reuse = 1) s.writeToFile(self)
def writeAtom(self, atom, configuration): p = atom.position(configuration) c = atom.charge() c = max(min(c, 1.), -1.) if p is None: self.warning = 1 else: s = VRML.Sphere(p, 0.1*Units.Ang, material = VRML.Material(diffuse_color = self.color_scale(c))) s.writeToFile(self)
def writeAtom(self, atom, configuration): try: highlight = atom.highlight except AttributeError: highlight = 0 if highlight: p = atom.position(configuration) if p is None: self.warning = 1 else: s = VRML.Sphere(p, 0.1*Units.Ang, material = VRML.DiffuseMaterial(atom.color), reuse = 1) s.writeToFile(self)