def _image_molecule(self,
molecule,
ball_stick=False,
colorlist=[],
rotation=[0., 0., 0.],
width=300,
height=300,
zoom=1.,
lines=[],
linestyle='impostors'):
v = QtViewer()
w = v.widget
w.camera.orbit_z = MethodType(orbit_z, w.camera)
w.initializeGL()
if ball_stick:
r = v.add_renderer(BallAndStickRenderer,
molecule.r_array,
molecule.type_array,
molecule.bonds,
rgba_array=colorlist,
linestyle=linestyle)
else:
r = v.add_renderer(AtomRenderer,
molecule.r_array,
molecule.type_array,
rgba_array=colorlist)
for line in lines:
#line = [start_coord, end_coord, start_color, end_color, width, dashed]
#for some reason it didn't like unpacking them to named variables
v.add_renderer(LineRenderer, [line[0], line[1]],
[[str_to_colour(line[2]),
str_to_colour(line[3])]],
width=line[4],
dashed=line[5])
#v.add_post_processing(SSAOEffect)
w.camera.autozoom(molecule.r_array * 1. / zoom)
w.camera.orbit_x(rotation[0] * np.pi / 180.)
w.camera.orbit_y(rotation[1] * np.pi / 180.)
w.camera.orbit_z(rotation[2] * np.pi / 180.)
image = w.toimage(width, height)
# Cleanup
v.clear()
del v
del w
del r
return self._trim_image(image)
