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'''
CCP4/MRC ORIGIN
'''
from chempy import cpv
from pymol import cmd, testing
EDGELENGTHS = (5.85, 5.85, 5.85)
ORIGINS = {
# only SKWTRN
"h2o-elf-skwtrn.ccp4": (1.2, 3.4, 5.6),
# NSTART and SKWTRN, additive
"h2o-elf-nstart-skwtrn.ccp4": (1.8, 3.85, 6.35),
# NSTART and ORIGIN, not additive (NSTART is ignored)
"h2o-elf-nstart-origin.mrc": (1.2, 3.4, 5.6),
# only NSTART (not ignored)
"h2o-elf-nstart.ccp4": (0.6, 0.45, 0.75),
}
@testing.requires_version('2.4')
class Test3260(testing.PyMOLTestCase):
@testing.foreach(*ORIGINS)
def test(self, filename):
cmd.load(self.datafile(filename), 'map')
ori = ORIGINS[filename]
ext = [ori, cpv.add(ori, EDGELENGTHS)]
self.assertArrayEqual(cmd.get_extent('map'), ext, delta=1e-3)
with testing.mktemp('.map') as filename:
cmd.save(filename, 'map')
cmd.delete('*')
cmd.load(filename, 'map')
self.assertArrayEqual(cmd.get_extent('map'), ext, delta=1e-3)
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