MDFactoryMDFactory

test_simulation_store

Tests for SimulationStore class.

funcmock_build_input()

Create mock BuildInput.

Returns

None
funcmock_discovery_df(tmp_path, mock_build_input)

Create mock discovery DataFrame with new schema.

paramtmp_path
parammock_build_input

Returns

None
funcsample_dataframe()

Create sample DataFrame for analysis data.

Returns

None
functest_init_single_root(tmp_path)

Test SimulationStore initialization with single root.

paramtmp_path

Returns

None
functest_init_multiple_roots(tmp_path)

Test SimulationStore initialization with multiple roots.

paramtmp_path

Returns

None
functest_init_string_path(tmp_path)

Test SimulationStore accepts string path.

paramtmp_path

Returns

None
functest_init_custom_filenames(tmp_path)

Test SimulationStore with custom trajectory/structure filenames.

paramtmp_path

Returns

None
functest_discover(mock_discover, tmp_path, mock_discovery_df)

Test discover() calls discover_simulations and caches result.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_discover_caching(mock_discover, tmp_path, mock_discovery_df)

Test discover() uses cached result on second call.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_discover_refresh(mock_discover, tmp_path, mock_discovery_df)

Test discover(refresh=True) clears cache and re-discovers.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_discover_multiple_roots(mock_discover, tmp_path, mock_discovery_df)

Test discover() with multiple roots concatenates results.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_discover_nonexistent_root_warns(mock_discover, tmp_path)

Test discover() warns for nonexistent root.

parammock_discover
paramtmp_path

Returns

None
functest_get_simulation(mock_discover, tmp_path, mock_discovery_df)

Test get_simulation() returns Simulation instance.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_get_simulation_caching(mock_discover, tmp_path, mock_discovery_df)

Test get_simulation() caches Simulation instances.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_get_simulation_invalid_hash_raises(mock_discover, tmp_path, mock_discovery_df)

Test get_simulation() with invalid hash raises ValueError.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_get_simulation_auto_discovers(mock_discover, tmp_path, mock_discovery_df)

Test get_simulation() automatically runs discover if needed.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_list_simulations(mock_discover, tmp_path, mock_discovery_df)

Test list_simulations() returns sorted hashes.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_list_simulations_empty(mock_discover, tmp_path)

Test list_simulations() with no simulations.

parammock_discover
paramtmp_path

Returns

None
functest_build_metadata_table(mock_discover, tmp_path, mock_discovery_df)

Test build_metadata_table() with flatten function.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_build_metadata_table_empty(mock_discover, tmp_path)

Test build_metadata_table() with no simulations.

parammock_discover
paramtmp_path

Returns

None
functest_build_metadata_table_flatten_error(mock_discover, tmp_path, mock_discovery_df)

Test build_metadata_table() raises if flatten function fails.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_load_analysis_with_metadata(mock_discover, tmp_path, mock_discovery_df, sample_dataframe)

Test load_analysis_with_metadata() joins analysis with metadata.

parammock_discover
paramtmp_path
parammock_discovery_df
paramsample_dataframe

Returns

None
functest_load_analysis_with_metadata_missing_ok_true(mock_discover, tmp_path, mock_discovery_df, sample_dataframe)

Test load_analysis_with_metadata() with missing_ok=True skips missing.

parammock_discover
paramtmp_path
parammock_discovery_df
paramsample_dataframe

Returns

None
functest_load_analysis_with_metadata_missing_ok_false(mock_discover, tmp_path, mock_discovery_df)

Test load_analysis_with_metadata() with missing_ok=False raises.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_load_analysis_with_metadata_no_simulations(mock_discover, tmp_path)

Test load_analysis_with_metadata() with no simulations.

parammock_discover
paramtmp_path

Returns

None
functest_load_analysis_with_metadata_no_analyses(mock_discover, tmp_path, mock_discovery_df)

Test load_analysis_with_metadata() when no simulations have analysis.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_list_artifacts_status_empty(mock_discover, tmp_path, mock_discovery_df)

Test list_artifacts_status returns rows for available artifacts.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_list_analyses_status_completed(mock_discover, tmp_path, mock_discovery_df)

Test list_analyses_status marks completed analyses.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_list_analyses_status_filtered_empty(mock_discover, tmp_path, mock_discovery_df)

Test list_analyses_status returns empty when filtered out.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_run_artifacts_batch(mock_discover, tmp_path, mock_discovery_df)

Test run_artifacts_batch executes artifact producers.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_run_analyses_batch_success(mock_discover, tmp_path, mock_discovery_df, sample_dataframe)

Test run_analyses_batch executes analysis functions.

parammock_discover
paramtmp_path
parammock_discovery_df
paramsample_dataframe

Returns

None
functest_remove_all_analyses_summary(mock_discover, tmp_path, mock_discovery_df)

Test remove_all_analyses returns summary rows.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_run_analyses_batch_failure(mock_discover, tmp_path, mock_discovery_df)

Test run_analyses_batch reports failures.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_run_analyses_batch_unknown_name(mock_discover, tmp_path, mock_discovery_df)

Test run_analyses_batch skips unknown analyses.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_run_artifacts_batch_skip_existing(mock_discover, tmp_path, mock_discovery_df)

Test run_artifacts_batch skips existing artifacts.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_remove_all_artifacts(mock_discover, tmp_path, mock_discovery_df)

Test remove_all_artifacts clears artifacts across simulations.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_remove_all_artifacts_filtered(mock_discover, tmp_path, mock_discovery_df)

Test remove_all_artifacts respects simulation_type filter.

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None
functest_integration_full_workflow(mock_discover, tmp_path, mock_discovery_df, sample_dataframe)

Test full workflow: discover, save analyses, aggregate.

parammock_discover
paramtmp_path
parammock_discovery_df
paramsample_dataframe

Returns

None
functest_ensure_discovered_auto_runs(mock_discover, tmp_path, mock_discovery_df)

Test _ensure_discovered() automatically runs discover().

parammock_discover
paramtmp_path
parammock_discovery_df

Returns

None