def test_reduce(self): dd = DeepmdData(self.data_name)\ .add('test_atomic', 7, atomic=True, must=True) dd.reduce('redu', 'test_atomic') data = dd._load_set(os.path.join(self.data_name, 'set.foo')) self.assertEqual(data['find_test_atomic'], 1) self._comp_np_mat2(data['test_atomic'], self.test_atomic) self.assertEqual(data['find_redu'], 1) self._comp_np_mat2(data['redu'], self.redu_atomic)
def test_reduce_null(self): dd = DeepmdData(self.data_name)\ .add('test_atomic_1', 7, atomic=True, must=False) dd.reduce('redu', 'test_atomic_1') data = dd._load_set(os.path.join(self.data_name, 'set.foo')) self.assertEqual(data['find_test_atomic_1'], 0) self._comp_np_mat2(data['test_atomic_1'], np.zeros([self.nframes, self.natoms * 7])) self.assertEqual(data['find_redu'], 0) self._comp_np_mat2(data['redu'], np.zeros([self.nframes, 7]))