def test_cs(self):
coords1 = make4(2.5)
axes = geom._make_axes(coords1[1] - coords1[0], coords1[2])
coords1 = numpy.dot(coords1, axes.T)
coords2 = make12(1.2)
axes = geom._make_axes(coords2[1] - coords2[0], coords2[2])
coords2 = numpy.dot(coords2, axes.T)
atoms = [['C', c] for c in numpy.vstack((coords1, coords2))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')
def test_cs(self):
coords1 = make4(2.5)
axes = geom._make_axes(coords1[1]-coords1[0], coords1[2])
coords1 = numpy.dot(coords1, axes.T)
coords2 = make12(1.2)
axes = geom._make_axes(coords2[1]-coords2[0], coords2[2])
coords2 = numpy.dot(coords2, axes.T)
atoms = [['C', c] for c in numpy.vstack((coords1,coords2))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')
def test_cs(self):
coords1 = make4(2.5)
axes = geom._make_axes(coords1[1] - coords1[0], coords1[2])
coords1 = numpy.dot(coords1, axes.T)
coords2 = make12(1.2)
axes = geom._make_axes(coords2[1] - coords2[0], coords2[2])
coords2 = numpy.dot(coords2, axes.T)
atoms = [['C', c] for c in numpy.vstack((coords1, coords2))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')
numpy.random.seed(1)
c0 = numpy.random.random((4, 3))
c0[:, 1] *= .5
c1 = c0.copy()
c1[:, 1] *= -1
atoms = [['C', c] for c in numpy.vstack((c0, c1))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')
def test_cs(self):
coords1 = make4(2.5)
axes = geom._make_axes(coords1[1]-coords1[0], coords1[2])
coords1 = numpy.dot(coords1, axes.T)
coords2 = make12(1.2)
axes = geom._make_axes(coords2[1]-coords2[0], coords2[2])
coords2 = numpy.dot(coords2, axes.T)
atoms = [['C', c] for c in numpy.vstack((coords1,coords2))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')
numpy.random.seed(1)
c0 = numpy.random.random((4,3))
c0[:,1] *= .5
c1 = c0.copy()
c1[:,1] *= -1
atoms = [['C', c] for c in numpy.vstack((c0,c1))]
gpname, orig, axes = geom.detect_symm(atoms)
self.assertEqual(gpname, 'Cs')