Models: msgpack update
@@ -85,14 +85,14 @@ def test_water_minima_fragment():
frag_0_1 = mol.get_fragment(0, 1)
frag_1_0 = mol.get_fragment(1, 0)
- assert mol.symbols[:3] == frag_0.symbols
+ assert np.array_equal(mol.symbols[:3], frag_0.symbols)
assert np.allclose(mol.masses[:3], frag_0.masses)
- assert mol.symbols == frag_0_1.symbols
+ assert np.array_equal(mol.symbols, frag_0_1.symbols)
assert np.allclose(mol.geometry, frag_0_1.geometry)
- assert mol.symbols[3:] + mol.symbols[:3] == frag_1_0.symbols
- assert np.allclose(mol.masses[3:] + mol.masses[:3], frag_1_0.masses)
+ assert np.array_equal(np.hstack((mol.symbols[3:], mol.symbols[:3])), frag_1_0.symbols)
+ assert np.allclose(np.hstack((mol.masses[3:], mol.masses[:3])), frag_1_0.masses)
def test_pretty_print():
