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)
