f5c6378c893d62a22808d52d94ebd4545f205e9a,regtests/lmbtr.py,LMBTRTests,test_flatten,#LMBTRTests#,327

Before Change

        // K2 unflattened
        desc = copy.deepcopy(default_desc_k2)
        desc.flatten = False
        feat = desc.create(system, positions=[0])[0]["k2"]
        self.assertEqual(feat.shape, (n_elem, nk2))

        // K2 flattened. The sparse matrix only supports 2D matrices, so the first

After Change

        // Check that the elements in flattened and unflattened match
        sorted_species = sorted(desc._atomic_numbers+[0])
        for i_pos in range(len(system)):
            for i_species in range(len(sorted_species)):
                i_z = sorted_species[i_species]
                slc = desc.get_location((0, i_z))
                i_flat = feat_flat[i_pos, slc]
                i_unflat = feat[i_pos]["k2"][i_species]
                self.assertTrue(np.array_equal(i_flat, i_unflat))

    def test_sparse(self):
        Tests the sparse matrix creation.
        
        // Dense

Instances