test_models | MDFactory

Tests for data models including species, compositions, build inputs,.

functest_single_molecule_species()

Returns

None

functest_conformer_retry_succeeds()

Test that EmbedMolecule retry with useRandomCoords=True works when first attempt fails.

Returns

None

functest_lipid_species()

Returns

None

functest_generate_input_model_from_dict()

Returns

None

functest_parameter_set_dump(tmp_path)

paramtmp_path

Returns

None

functest_gmx_parameter_model(tmp_path)

paramtmp_path

Returns

None

functest_core_composition_replication()

Test that CoreComposition calculates replication factor for efficient packing.

Returns

None

functest_replicate_box_3d()

Test 3D box replication function.

Returns

None

functest_distribute_counts()

Test that distribute_counts preserves exact totals.

Returns

None

functest_shell_composition_calculate_counts_smaller_scale()

Test that ShellComposition selects the smallest adequate scale (1/8, 1/4, etc.).

Returns

None

functest_shell_composition_calculate_counts_larger_scale()

Test that ShellComposition escalates to larger scale when needed.

Returns

None

functest_shell_composition_min_count_behavior()

Test that min_count parameter is respected.

Returns

None

functest_shell_composition_counts_sum_correctly()

Test that distributed counts sum to expected patch size.

Returns

None