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from subprocess import check_call, DEVNULL
import pytest
from ase.io.pov import write_pov
from ase.build import molecule
from ase.io.pov import get_bondpairs, set_high_bondorder_pairs
def test_povray_io(povray_executable):
H2 = molecule('H2')
write_pov('H2.pov', H2)
check_call([povray_executable, 'H2.pov'], stderr=DEVNULL)
def test_povray_highorder(povray_executable):
atoms = molecule('CH4')
radii = [0.2] * len(atoms)
bondpairs = get_bondpairs(atoms, radius=1.0)
assert len(bondpairs) == 4
high_bondorder_pairs = {}
def setbond(target, order):
high_bondorder_pairs[(0, target)] = ((0, 0, 0), order, (0.1, -0.2, 0))
setbond(2, 2)
setbond(3, 3)
bondpairs = set_high_bondorder_pairs(bondpairs, high_bondorder_pairs)
renderer = write_pov(
'atoms.pov', atoms,
povray_settings=dict(canvas_width=50, bondatoms=bondpairs),
radii=radii,
)
# XXX Not sure how to test that the bondpairs data processing is correct.
pngfile = renderer.render()
assert pngfile.is_file()
print(pngfile.absolute())
def test_deprecated():
with pytest.warns(FutureWarning):
write_pov('tmp.pov', molecule('H2'), run_povray=True)
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