def setUpClass(cls):
with open(os.path.join(test_dir, "dump.rdx_wc.100")) as f:
rdx_str = f.read()
cls.rdx = LammpsDump.from_string(string=rdx_str)
with open(os.path.join(test_dir, "dump.tatb")) as f:
tatb_str = f.read()
cls.tatb = LammpsDump.from_string(string=tatb_str)
def setUpClass(cls):
with open(os.path.join(test_dir, "dump.rdx_wc.100")) as f:
rdx_str = f.read()
cls.rdx = LammpsDump.from_string(string=rdx_str)
with open(os.path.join(test_dir, "dump.tatb")) as f:
tatb_str = f.read()
cls.tatb = LammpsDump.from_string(string=tatb_str)
def test_json_dict(self):
encoded = json.dumps(self.rdx.as_dict())
decoded = json.loads(encoded)
rdx = LammpsDump.from_dict(decoded)
self.assertEqual(rdx.timestep, 100)
self.assertEqual(rdx.natoms, 21)
np.testing.assert_array_equal(rdx.box.bounds, np.array([(35, 48)] * 3))
pd.testing.assert_frame_equal(rdx.data, self.rdx.data)
def test_json_dict(self):
encoded = json.dumps(self.rdx.as_dict())
decoded = json.loads(encoded)
rdx = LammpsDump.from_dict(decoded)
self.assertEqual(rdx.timestep, 100)
self.assertEqual(rdx.natoms, 21)
np.testing.assert_array_equal(rdx.box.bounds,
np.array([(35, 48)] * 3))
pd.testing.assert_frame_equal(rdx.data, self.rdx.data)