MDFactoryMDFactory

test_analysis_utils

Tests for analysis utility functions including simulation discovery,.

funcmock_build_input()

Create a mock BuildInput object.

Returns

None
functemp_simulation_dir(tmp_path)

Create a temporary simulation directory structure.

paramtmp_path

Returns

None
functest_discover_simulations_basic(temp_simulation_dir, mock_build_input)

Test basic discovery of simulations.

paramtemp_simulation_dir
parammock_build_input

Returns

None
functest_discover_simulations_no_directories(tmp_path)

Test with no valid directories.

paramtmp_path

Returns

None
functest_discover_simulations_missing_files(tmp_path)

Test directory missing required files.

paramtmp_path

Returns

None
functest_discover_simulations_no_yaml(tmp_path)

Test directory with no YAML files.

paramtmp_path

Returns

None
functest_discover_simulations_multiple_valid_yaml(temp_simulation_dir, mock_build_input)

Test error when multiple valid YAML files exist.

paramtemp_simulation_dir
parammock_build_input

Returns

None
functest_discover_simulations_invalid_yaml(temp_simulation_dir)

Test handling of invalid YAML files.

paramtemp_simulation_dir

Returns

None
functest_discover_simulations_custom_filenames(tmp_path, mock_build_input)

Test with custom trajectory and structure filenames.

paramtmp_path
parammock_build_input

Returns

None
functest_discover_simulations_string_path(temp_simulation_dir, mock_build_input)

Test with string path instead of Path object.

paramtemp_simulation_dir
parammock_build_input

Returns

None
functest_discover_simulations_multiple_dirs(tmp_path, mock_build_input)

Test discovery across multiple simulation directories.

paramtmp_path
parammock_build_input

Returns

None
functest_flatten_species_composition()None

Test flatten_species_composition returns expected keys.

Returns

None
functest_flatten_system_parameters()None

Test flatten_system_parameters merges system_specific metadata.

Returns

None
functest_discover_simulations_invalid_min_status(tmp_path)

Test ValueError raised for invalid min_status.

paramtmp_path

Returns

None
functest_discover_simulations_status_order_constant()

Test STATUS_ORDER contains expected values in correct order.

Returns

None
functest_discover_simulations_min_status_default(temp_simulation_dir, mock_build_input)

Test that min_status defaults to 'production' (backward compatibility).

paramtemp_simulation_dir
parammock_build_input

Returns

None
functest_discover_simulations_min_status_build(tmp_path, mock_build_input)

Test min_status='build' includes simulations without trajectory.

paramtmp_path
parammock_build_input

Returns

None
functest_discover_simulations_min_status_completed(tmp_path, mock_build_input)

Test min_status='completed' excludes non-completed simulations.

paramtmp_path
parammock_build_input

Returns

None
functest_discover_simulations_status_column_values(tmp_path, mock_build_input)

Test status column returns correct status values based on files.

paramtmp_path
parammock_build_input

Returns

None
functest_discover_simulations_filters_by_status_threshold(tmp_path, mock_build_input)

Test that simulations below min_status threshold are excluded.

paramtmp_path
parammock_build_input

Returns

None
func_fake_universe(n_frames, dt_ps=10.0)

Build a minimal object that satisfies trajectory_window's interface.

paramn_framesint
paramdt_psfloat
= 10.0

Returns

None
functest_trajectory_window_defaults()None

No start_ns or last_ns returns the full trajectory.

Returns

None
functest_trajectory_window_start_ns()None

start_ns crops the beginning of the trajectory.

Returns

None
functest_trajectory_window_last_ns()None

last_ns selects the trailing portion of the trajectory.

Returns

None
functest_trajectory_window_last_ns_overrides_start_ns()None

last_ns takes precedence when both are provided.

Returns

None
functest_trajectory_window_stride()None

stride is passed through as the step value.

Returns

None
functest_trajectory_window_start_ns_beyond_trajectory()None

start_ns past the end clamps to total_frames.

Returns

None
functest_trajectory_window_end_ns()None

end_ns caps the stop frame.

Returns

None
functest_trajectory_window_end_ns_none()None

end_ns=None returns full trajectory (default).

Returns

None
functest_trajectory_window_start_ns_and_end_ns()None

start_ns and end_ns together define a sub-window.

Returns

None
functest_trajectory_window_end_ns_beyond_trajectory()None

end_ns past the end clamps to total_frames.

Returns

None
functest_run_per_frame_analysis_preserves_ragged_results()None

Ragged per-frame outputs should be returned as a Python list.

Returns

None