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from chempy import cpv
from pymol import cmd, testing, stored
class TestChempyBrick(testing.PyMOLTestCase):
def test(self):
try:
import numpy
except ImportError:
self.skip('requires numpy')
from chempy.brick import Brick
spacing = (.5, .5, .5)
origin = (3., 4., 5.)
shape = (10, 10, 10)
range_ = [a * (b - 1) for (a, b) in zip (spacing, shape)]
data = numpy.zeros(shape, float)
brick = Brick.from_numpy(data, spacing, origin)
self.assertArrayEqual(brick.range, range_)
cmd.load_brick(brick, 'map')
extent = cmd.get_extent('map')
self.assertArrayEqual(extent, [origin, cpv.add(origin, range_)])
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