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