def test_basic_functionality(self):
grid = gen_dummy_grid()
# check size
self.assertEqual(grid.coords.shape, (200, 3))
# check naming
self.assertEqual(grid.metadata.atomname[0], "DUMY")
self.assertEqual(grid.metadata.resname[199], "DUMY")
# check leaflet assignment
self.assertTrue(np.all(grid.metadata.leaflets[:100] == 0))
self.assertTrue(np.all(grid.metadata.leaflets[100:] == 1))
# check coordinates
self.assertAlmostEqual(
np.sqrt(((grid.coords[1, 0:2] - grid.coords[0, 0:2])**2).sum()), 5)
self.assertTrue(np.all(grid.coords[:100, 2] == -25))
self.assertTrue(np.all(grid.coords[100:, 2] == 25))
def test_resname(self):
grid = gen_dummy_grid(resname="TEST")
self.assertEqual(grid.metadata.resname[0], "TEST")
def test_thickness(self):
grid = gen_dummy_grid(thickness=100)
self.assertTrue(np.all(grid.coords[:100, 2] == -50))
self.assertTrue(np.all(grid.coords[100:, 2] == 50))
def test_atomname(self):
grid = gen_dummy_grid(atomname="TEST")
self.assertEqual(grid.metadata.atomname[0], "TEST")
def test_lateral_distance(self):
grid = gen_dummy_grid(lateral_distance=7.5)
self.assertAlmostEqual(
np.sqrt(((grid.coords[1, 0:2] - grid.coords[0, 0:2])**2).sum()),
7.5)