def test_bond_renderer():
v = QtViewer()
v.widget.background_color = colors.black
mol = Molecule([
Atom("O", [-0.499, 0.249, 0.0]),
Atom("H", [-0.402, 0.249, 0.0]),
Atom("H", [-0.532, 0.198, 0.10])
])
mol.bonds = np.array([[0, 1], [0, 2]])
#mol = CirDB().get("molecule", "moronic acid")
#radii_map = {"O": 0.03, "H": 0.03}
radii_map = defaultdict(lambda: 0.03)
br = v.add_renderer(BondRenderer,
mol.bonds,
mol.r_array,
mol.type_array,
style='impostors')
ar = v.add_renderer(AtomRenderer,
mol.r_array,
mol.type_array,
"impostors",
radii_map=radii_map)
v.run()
def test_wireframe_renderer():
v = QtViewer()
#v.widget.background_color = black
mol = Molecule([Atom("O", [-0.499, 0.249, 0.0]),
Atom("H", [-0.402, 0.249, 0.0]),
Atom("H", [-0.532, 0.198, 0.10])])
mol.bonds = np.array([[0, 1],[0, 2]])
mol = CirDB().get("molecule", "moronic acid")
ar = v.add_renderer(WireframeRenderer, mol.r_array, mol.type_array, mol.bonds)
# Try without bonds
#ar2 = v.add_renderer(WireframeRenderer, mol.r_array + 0.5, mol.type_array, np.array([]))
v.run()
def test_wireframe_renderer():
v = QtViewer()
#v.widget.background_color = black
mol = Molecule([Atom("O", [-0.499, 0.249, 0.0]),
Atom("H", [-0.402, 0.249, 0.0]),
Atom("H", [-0.532, 0.198, 0.10])])
mol.bonds = np.array([[0, 1],[0, 2]])
mol = CirDB().get("molecule", "moronic acid")
ar = v.add_renderer(WireframeRenderer, mol.r_array, mol.type_array, mol.bonds)
# Try without bonds
#ar2 = v.add_renderer(WireframeRenderer, mol.r_array + 0.5, mol.type_array, np.array([]))
v.run()
def test_bond_renderer():
v = QtViewer()
v.widget.background_color = colors.black
mol = Molecule([Atom("O", [-0.499, 0.249, 0.0]),
Atom("H", [-0.402, 0.249, 0.0]),
Atom("H", [-0.532, 0.198, 0.10])])
mol.bonds = np.array([[0, 1],[0, 2]])
#mol = CirDB().get("molecule", "moronic acid")
#radii_map = {"O": 0.03, "H": 0.03}
radii_map = defaultdict(lambda: 0.03)
br = v.add_renderer(BondRenderer, mol.bonds, mol.r_array,
mol.type_array, style='impostors')
ar = v.add_renderer(AtomRenderer, mol.r_array, mol.type_array,
"impostors", radii_map = radii_map)
v.run()
