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)