[SPH][Setups] New custom warp setup

[y-lapeyre]

Allows users to define a custom warp function from the python interface.

[gemini-code-assist]

Summary of Changes

Hello @y-lapeyre, I'm Gemini Code Assist¹! I'm currently reviewing this pull request and will post my feedback shortly. In the meantime, here's a summary to help you and other reviewers quickly get up to speed!

I've implemented a new feature that allows users to define and apply custom warp transformations to the SPH simulation setup. This enhancement provides greater flexibility by enabling the use of arbitrary functions for warp profiles, which can be specified directly from the Python interface. The change involves adding a new C++ module to handle the custom warping logic, integrating it into the existing setup framework, and exposing it through the Python bindings.

Highlights

• New Custom Warp Module: I've introduced a new C++ module, ModifierApplyCustomWarp, which provides the core functionality for applying user-defined warp transformations to simulation particles. This module is designed to be flexible, accepting custom profile functions for inclination, psi, and k-vector.
• Integration into SPHSetup: I've integrated the new custom warp functionality into the existing SPHSetup class by adding a make_modifier_custom_warp method. This method facilitates the creation and configuration of the custom warp modifier within the SPH setup pipeline.
• Python Interface for Custom Warps: I've exposed the make_modifier_custom_warp function to the Python interface. This allows Python users to easily define and apply complex, custom warp functions directly from their Python scripts, enhancing the flexibility and usability of the SPH model.
• Build System Update: I've updated the CMake build configuration to include the newly added C++ source file for the custom warp modifier, ensuring it is properly compiled and linked with the rest of the project.

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[gemini-code-assist]

Code Review

This pull request introduces a new custom warp modifier, which is a great feature. The implementation is mostly in place, but there are several areas that need attention before this can be merged. Most importantly, the psi_profile parameter is accepted by the new modifier but is not actually used in the warp calculation, which appears to be a bug. Additionally, the code contains leftover debugging logs, some unused variables, and opportunities for minor improvements in C++ best practices and Python API consistency. Addressing these points will improve the code's correctness, cleanliness, and maintainability.

[y-lapeyre]

Computation is done on the host since passing a function to a cycle kernel is not easy. From browsing the internet it seems possible to do through a clever use of functors, so might try that later. This module was tested on some usual warp setups.

[github-actions]

Workflow report

workflow report corresponding to commit e0a8f7a
Commiter email is yona.lapeyre@ens-lyon.fr
GitHub page artifact URL GitHub page artifact link (can expire)

Pre-commit check report

Pre-commit check: ✅

trim trailing whitespace.................................................Passed
fix end of files.........................................................Passed
check for merge conflicts................................................Passed
check that executables have shebangs.....................................Passed
check that scripts with shebangs are executable..........................Passed
check for added large files..............................................Passed
check for case conflicts.................................................Passed
check for broken symlinks................................................Passed
check yaml...............................................................Passed
detect private key.......................................................Passed
No-tabs checker..........................................................Passed
Tabs remover.............................................................Passed
Validate GitHub Workflows................................................Passed
clang-format.............................................................Passed
black....................................................................Passed
ruff check...............................................................Passed
Check doxygen headers....................................................Passed
Check license headers....................................................Passed
Check #pragma once.......................................................Passed
Check SYCL #include......................................................Passed
No ssh in git submodules remote..........................................Passed

Test pipeline can run.

Clang-tidy diff report

No relevant changes found.
Well done!

You should now go back to your normal life and enjoy a hopefully sunny day while waiting for the review.

Doxygen diff with main

Removed warnings : 5
New warnings : 8
Warnings count : 7450 → 7453 (0.0%)

Detailed changes :

+ src/shammodels/sph/include/shammodels/sph/modules/SPHSetup.hpp:73: warning: Member make_modifier_custom_warp(SetupNodePtr parent, std::function< Tscal(Tscal)> inc_profile, std::function< Tscal(Tscal)> psi_profile, std::function< Tvec(Tscal)> k_profile) (function) of class shammodels::sph::modules::SPHSetup is not documented.
- src/shammodels/sph/include/shammodels/sph/modules/SPHSetup.hpp:74: warning: Member make_modifier_add_offset(SetupNodePtr parent, Tvec offset_postion, Tvec offset_velocity) (function) of class shammodels::sph::modules::SPHSetup is not documented.
- src/shammodels/sph/include/shammodels/sph/modules/SPHSetup.hpp:77: warning: Member make_modifier_filter(SetupNodePtr parent, std::function< bool(Tvec)> filter) (function) of class shammodels::sph::modules::SPHSetup is not documented.
+ src/shammodels/sph/include/shammodels/sph/modules/SPHSetup.hpp:80: warning: Member make_modifier_add_offset(SetupNodePtr parent, Tvec offset_postion, Tvec offset_velocity) (function) of class shammodels::sph::modules::SPHSetup is not documented.
+ src/shammodels/sph/include/shammodels/sph/modules/SPHSetup.hpp:83: warning: Member make_modifier_filter(SetupNodePtr parent, std::function< bool(Tvec)> filter) (function) of class shammodels::sph::modules::SPHSetup is not documented.
+ src/shammodels/sph/include/shammodels/sph/modules/setup/ModifierApplyCustomWarp.hpp:26: warning: Compound shammodels::sph::modules::ModifierApplyCustomWarp is not documented.
+ src/shammodels/sph/include/shammodels/sph/modules/setup/ModifierApplyCustomWarp.hpp:40: warning: Member ModifierApplyCustomWarp(ShamrockCtx &context, Config &solver_config, SetupNodePtr parent, std::function< Tscal(Tscal)> inc_profile, std::function< Tscal(Tscal)> psi_profile, std::function< Tvec(Tscal)> k_profile) (function) of class shammodels::sph::modules::ModifierApplyCustomWarp is not documented.
- src/shammodels/sph/src/pySPHModel.cpp:782: warning: Member add_analysisBarycenter_instance(py::module &m, std::string name_model) (function) of file pySPHModel.cpp is not documented.
+ src/shammodels/sph/src/pySPHModel.cpp:796: warning: Member add_analysisBarycenter_instance(py::module &m, std::string name_model) (function) of file pySPHModel.cpp is not documented.
- src/shammodels/sph/src/pySPHModel.cpp:801: warning: Member analysisBarycenter_impl(shammodels::sph::Model< Tvec, SPHKernel > &model) -> modules::AnalysisBarycenter< Tvec, SPHKernel > (function) of file pySPHModel.cpp is not documented.
- src/shammodels/sph/src/pySPHModel.cpp:806: warning: Member Register_pymod(pysphmodel) (function) of file pySPHModel.cpp is not documented.
+ src/shammodels/sph/src/pySPHModel.cpp:815: warning: Member analysisBarycenter_impl(shammodels::sph::Model< Tvec, SPHKernel > &model) -> modules::AnalysisBarycenter< Tvec, SPHKernel > (function) of file pySPHModel.cpp is not documented.
+ src/shammodels/sph/src/pySPHModel.cpp:820: warning: Member Register_pymod(pysphmodel) (function) of file pySPHModel.cpp is not documented.