Test microstructure and -tiles

[markriegler]

Overview

Addressing issue #392: this should add tests related to all microstructure- and microtiles-related code.

Addressing issue #458: some changes to the code of the microtiles and possibly the microstructure are needed in order to satisfy the tests.

Additionally, the code's layout for the tiles is unified, in particular:

• Add class variables (e.g. are sensitivities implemented, the bounds for the parameters, implemented closure directions, default parameter values)
• Add unified function in microstructure to check tile's input and custom parameters
• Unify order of actions within tiles' create_tile() and _closing_tile()

Checklist of what to test

• [x] Derivatives of the tiles (incl. tiles with closure)
• [x] Bound checks of tiles (incl. tiles with closure)
• [ ] ...

Summary by CodeRabbit

Summary by CodeRabbit

• New Features

  • Introduced support for sensitivity analysis and parameter derivatives across multiple tile classes.
  • Added new attributes for parameter bounds, shapes, default values, and closure directions in many tile classes.
  • Enhanced parameter handling, validation, and processing with unified internal methods.
  • Added closure direction support and refined tile creation methods in HollowOctagonExtrude, HollowOctagon, Cross2D, Cross3D, and Cross3DLinear.
  • Updated create_tile and closing tile methods to support parameter sensitivities and derivative computations.
  • Extended test coverage with comprehensive tests validating tile construction, parameter handling, closure behavior, and derivative accuracy.
  • Fixed consistent typo in example scripts for keyword argument spelling.

• Bug Fixes

  • Corrected typographical errors in documentation and parameter names.
  • Fixed rotation matrix derivative definitions in some tile classes.
  • Improved error messages and validation feedback.

• Tests

  • Added new fixtures for reproducible random number generation and derivative testing parameters.
  • Implemented extensive parameterized tests for microstructure tiles covering closure, parameter bounds, derivatives, and invalid inputs.
  • Enhanced tests for microstructure closure faces and macro sensitivity correctness.

[coderabbitai[bot]]

Walkthrough

The changes update multiple files in the splinepy library by fixing typos, adding new class attributes for sensitivity analysis and parameter bounds, refactoring parameter validation and input processing into unified methods, and enhancing tile classes with closure and derivative support. Additionally, comprehensive unit tests were added for tile classes and microstructure functionality to verify correctness and robustness.

Changes

Files	Change Summary
splinepy/microstructure/microstructure.py	Fixed spelling error in docstrings; updated create method defaults for knot_span_wise and macro_sensitivities; added boolean assertions for parameters.
splinepy/microstructure/tiles/chi.py	Changed _evaluation_points from 2D to 1D array; added _sensitivities_implemented, _parameter_bounds, _parameters_shape, _default_parameter_value; refactored create_tile to use _process_input for parameter and sensitivity handling; adjusted derivative computations.
splinepy/microstructure/tiles/cube_void.py	Added sensitivity-related class attributes; fixed derivative matrix row in _rotation_matrix_y_deriv; refactored create_tile to use _process_input for parameters and sensitivities.
splinepy/microstructure/tiles/ellips_v_oid.py	Added sensitivity-related class attributes; fixed derivative matrix row in _rotation_matrix_y_deriv; refactored create_tile to use _process_input for parameter and sensitivity handling; added TODO comment about test skipping.
splinepy/microstructure/tiles/hollow_octagon_extrude.py	Added sensitivity, closure, parameter bounds attributes; updated create_tile to accept closure parameter; refactored parameter validation and sensitivity handling using _process_input; replaced closing_tile with _closing_tile method supporting closure directions and derivatives.
splinepy/microstructure/tiles/snappy.py	Added sensitivity and closure-related attributes; relaxed type checks for parameters; replaced inline parameter validation with _check_custom_parameter; updated _closing_tile to raise NotImplementedError for unsupported closures and removed parameter checks.
splinepy/microstructure/tiles/tile_base.py	Added new class attributes for sensitivity, closure, parameter bounds, shapes, and defaults; converted classmethods to properties; enhanced check_params to validate parameter bounds; added _process_input and _check_custom_parameter methods for unified parameter and sensitivity processing and validation.
splinepy/microstructure/tiles/cross_2d.py	Added sensitivity, closure, parameter bounds, and default attributes; refactored _closing_tile and create_tile to use _process_input and _check_custom_parameter for parameter validation and processing; removed manual parameter checks.
splinepy/microstructure/tiles/cross_3d.py	Added sensitivity, closure, parameter bounds, and default attributes; refactored _closing_tile and create_tile to unify parameter processing with _process_input and validate parameters with _check_custom_parameter; added closure direction validation and error raising.
splinepy/microstructure/tiles/cross_3d_linear.py	Added sensitivity, closure, parameter bounds, and default attributes; refactored _closing_tile and create_tile to use _process_input and _check_custom_parameter for parameter handling; removed manual parameter validity checks.
splinepy/microstructure/tiles/double_lattice.py	Added sensitivity and parameter bounds attributes; refactored create_tile to use _process_input and _check_custom_parameter for parameter and contact length validation; removed manual parameter checks.
splinepy/microstructure/tiles/hollow_cube.py	Added sensitivity and parameter bounds attributes; refactored create_tile to use _process_input for parameter and sensitivity handling; removed explicit parameter validation logic.
splinepy/microstructure/tiles/hollow_octagon.py	Added sensitivity, closure, parameter bounds, and default attributes; added create_tile method; refactored _closing_tile to support parameter sensitivities and derivatives with loops; unified parameter processing with _process_input; added contact length validation; replaced previous hardcoded control point logic with derivative-aware approach.
splinepy/microstructure/tiles/__init__.py	Added cross_3d to imports and __all__ export list.
examples/show_microstructures.py	Fixed typo in keyword argument name from "seperator_distance" to "separator_distance" in calls to generator.create() and generator.show().
tests/conftest.py	Modified np_rng fixture to use fixed seed for reproducibility; added fixtures h_eps, n_test_points, big_perturbation, and fd_derivative_stepsizes_and_weights for numerical derivative testing.
tests/test_knot_vectors.py	Updated test assertion to use .numpy() method instead of np.array() for knot vector conversion.
tests/test_microstructure.py	Added tests for microstructure tiles covering closure face correctness and macro sensitivity derivative verification using finite differences.
tests/test_microtiles.py	Added comprehensive tests for tile classes including control point bounds, parameter validation, closure support, and derivative correctness using finite difference approximations; included tests for invalid parameter values.

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant TileBase
    participant TileClass
    participant ParameterProcessor

    User->>TileClass: create_tile(parameters, parameter_sensitivities)
    TileClass->>TileBase: _process_input(parameters, parameter_sensitivities)
    TileBase-->>TileClass: processed_parameters, n_derivatives, derivatives
    TileClass->>TileClass: construct_splines_with_derivatives()
    TileClass-->>User: splines, derivatives

sequenceDiagram
    participant User
    participant TileClass
    participant TileBase

    User->>TileClass: create_tile(closure=direction)
    TileClass->>TileBase: _process_input(parameters, parameter_sensitivities)
    TileBase-->>TileClass: processed_parameters, n_derivatives, derivatives
    TileClass->>TileClass: _closing_tile(closure=direction)
    TileClass-->>User: closing_splines, derivatives

🐇 I hop through code with joyful cheer,
Fixing typos, making defaults clear.
Parameters checked with bounds so tight,
Sensitivities handled just right.
Tiles now dance with derivatives too,
Tests ensure the code is true!
Hoppity-hop, improvements anew! 🐇✨

✨ Finishing Touches

• [ ] 📝 Generate Docstrings

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[markriegler]

The current status is:

• [x] Added test to check if tile classes have the correct variables and functions
• [x] Added new variables (e.g. if sensitivities are implemented for this class)
• [x] Added bound test: check if all control points of tile (with and without closure) lie in unit square/cube
  • Right now, two classes are skipped for testing:
    • EllipsVoid (because the control points easily lie outside of unit cube, but the tile itself lies in the unit cube)
    • Snappy (because there is no parameters-array as an input, but additional parameters like a, b, r and the test is constructed for the parameters-array as an input)
• [x] Add test for tile derivatives: test derivatives of tiles w.r.t. the parameters by comparing implemented derivatives to the ones obtained by finite differences. This also checks if derivatives work when closure is applied
  • Right now, some classes are skipped due to wrongly implemented derivatives, see issue #458

[markriegler]

I just checked the tests on my local laptop. My implemented tests are flaky due to the random points: most of the time, all tests pass, but sometimes there is one failing test. I think sticking to a fixed random seed might be a better idea, for replicability

[markriegler]

The docs/minimal_explicit_build_and_docs build is not working. @clemens-fricke Any idea, how to solve it? It says Could not find compiler set in environment variable CC: clang-14.

[clemens-fricke]

The docs/minimal_explicit_build_and_docs build is not working. @clemens-fricke Any idea, how to solve it? It says Could not find compiler set in environment variable CC: clang-14.

I will look into it when I am back from holiday. But I know that @j042 was already looking into it

[j042]

@markriegler is this complete?

[markriegler]

@markriegler is this complete?

The tests I wanted to implement are complete. Also the code is now more unified, which makes it easier for future implementations.

[j042]

@markriegler is this complete?

The tests I wanted to implement are complete. Also the code is now more unified, which makes it easier for future implementations.

Ok, is that yes?

[markriegler]

Yes