libcuflynx 0.4.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- libcuflynx-0.4.0/LICENSE +204 -0
- libcuflynx-0.4.0/PKG-INFO +266 -0
- libcuflynx-0.4.0/README.md +196 -0
- libcuflynx-0.4.0/pyproject.toml +304 -0
- libcuflynx-0.4.0/setup.cfg +4 -0
- libcuflynx-0.4.0/src/checks/__init__.py +11 -0
- libcuflynx-0.4.0/src/emulators/__init__.py +11 -0
- libcuflynx-0.4.0/src/generators/__init__.py +11 -0
- libcuflynx-0.4.0/src/libcuflynx/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/_deprecated_aliases.py +229 -0
- libcuflynx-0.4.0/src/libcuflynx/checks/LumpedModelChecks.py +112 -0
- libcuflynx-0.4.0/src/libcuflynx/checks/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/coupler/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/emulators/__init__.py +32 -0
- libcuflynx-0.4.0/src/libcuflynx/emulators/emulator_bundle.py +426 -0
- libcuflynx-0.4.0/src/libcuflynx/emulators/emulator_trainer.py +675 -0
- libcuflynx-0.4.0/src/libcuflynx/funcs/__init__.py +19 -0
- libcuflynx-0.4.0/src/libcuflynx/funcs/cost_funcs_user.py +269 -0
- libcuflynx-0.4.0/src/libcuflynx/funcs/modifier_funcs_user.py +43 -0
- libcuflynx-0.4.0/src/libcuflynx/funcs/operation_funcs_user.py +727 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/CVSCellMLGenerator.py +2591 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/CVSCppGenerator.py +3849 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/Python1DModelFilesGenerator.py +741 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/PythonGenerator.py +755 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/__init__.py +0 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/cppGeneratorTemplateFunctions.cpp +360 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/main0dTemplate.cpp +193 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/BG_modules.cellml +21043 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/BG_modules_config.json +19569 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/FitzHugh_Nagumo_module_config.json +56 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/FitzHugh_Nagumo_modules.cellml +73 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/Lotka_Volterra_module_config.json +22 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/Lotka_Volterra_modules.cellml +64 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/TwoMinima_module_config.json +38 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/TwoMinima_modules.cellml +35 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/VanDerPol_module_config.json +19 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/VanDerPol_modules.cellml +55 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/base_script.cellml +13 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/boundary_condition_modules.cellml +592 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/boundary_condition_modules_config.json +234 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/cell_modules.cellml +6209 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/cell_modules_config.json +834 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/control_modules.cellml +2481 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/control_modules_config.json +783 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/control_system_modules.cellml +114 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/control_system_modules_config.json +45 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/coupling_modules.cellml +103 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/coupling_modules_config.json +241 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/delay_modules.cellml +80 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/delay_modules_config.json +29 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/diffusion_volume_modules.cellml +234 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/diffusion_volume_modules_config.json +70 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/elic_modules.cellml +1165 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/elic_modules_config.json +147 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/gas_exchange_modules.cellml +4130 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/gas_exchange_modules_config.json +561 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/heart_modules.cellml +11528 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/heart_modules_config.json +1040 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/input_stimulation_modules.cellml +184 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/input_stimulation_modules_config.json +83 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/ion_channel_modules.cellml +4268 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/ion_channel_modules_config.json +1210 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/lung_modules.cellml +2477 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/lung_modules_config.json +270 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/open_loop_modules.cellml +4552 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/open_loop_modules_config.json +165 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/parasympathetic_modules.cellml +1444 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/parasympathetic_modules_config.json +623 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/test_modules.cellml +143 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/test_modules_config.json +115 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/units.cellml +625 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/vessel_properties_modules.cellml +687 -0
- libcuflynx-0.4.0/src/libcuflynx/generators/resources/vessel_properties_modules_config.json +313 -0
- libcuflynx-0.4.0/src/libcuflynx/identifiabilty_analysis/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/identifiabilty_analysis/identifiabilityAnalysis.py +442 -0
- libcuflynx-0.4.0/src/libcuflynx/models/LumpedModels.py +27 -0
- libcuflynx-0.4.0/src/libcuflynx/models/__init__.py +0 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/aadc_backend.py +1038 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/casadi_backend.py +350 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/cost_kwargs.py +209 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/differentiable.py +70 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/external_funcs.py +99 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/fd_backend.py +173 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/fsa_backend.py +395 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/math_backend.py +209 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/modifier_funcs.py +155 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/operation_funcs.py +340 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/optimisers.py +1897 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/paramID.py +4435 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/plot_outputs.py +1268 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/pymc_backend.py +382 -0
- libcuflynx-0.4.0/src/libcuflynx/param_id/run_history.py +261 -0
- libcuflynx-0.4.0/src/libcuflynx/parsers/ModelParsers.py +613 -0
- libcuflynx-0.4.0/src/libcuflynx/parsers/OMEXParsers.py +421 -0
- libcuflynx-0.4.0/src/libcuflynx/parsers/PrimitiveParsers.py +4487 -0
- libcuflynx-0.4.0/src/libcuflynx/parsers/__init__.py +0 -0
- libcuflynx-0.4.0/src/libcuflynx/protocol_runners/__init__.py +11 -0
- libcuflynx-0.4.0/src/libcuflynx/protocol_runners/protocol_executor.py +196 -0
- libcuflynx-0.4.0/src/libcuflynx/protocol_runners/protocol_runner.py +226 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/_cli.py +99 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/convert_0d_to_1d.py +148 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/example_data/example_data_for_conversion.csv +1802 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/example_format_obs_data_json_file.py +119 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/generate_modules_files.py +479 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/generate_obs_json.py +72 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/generate_omex_analysis_script.py +337 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/heart_paper_plots.py +483 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/identifiability_run_script.py +96 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/param_id_run_script.py +180 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/plot_param_id_script.py +171 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/read_and_insert_parameters.py +75 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/run_multiple_param_id.py +188 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/script_generate_with_new_architecture.py +293 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/sensitivity_analysis_run_script.py +47 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/sequential_param_id_run_script.py +138 -0
- libcuflynx-0.4.0/src/libcuflynx/scripts/train_emulator_run_script.py +66 -0
- libcuflynx-0.4.0/src/libcuflynx/sensitivity_analysis/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/sensitivity_analysis/sensitivityAnalysis.py +492 -0
- libcuflynx-0.4.0/src/libcuflynx/sensitivity_analysis/sobolSA.py +884 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/Make_files/Makefile +46 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/Make_files/MakefilePETSC +59 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/Make_files/runCVODE.bash +15 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/Make_files/runPETSc.bash +11 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/__init__.py +1 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/auxCouplingFunctions.py +891 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/auxPipeFunctions.py +95 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/bcs.py +59 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/main1D.py +1441 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/model.py +2430 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/numerics.py +604 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/vessel.py +206 -0
- libcuflynx-0.4.0/src/libcuflynx/solver1d/windkessel.py +699 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/__init__.py +302 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/aadc_python_solver_helper.py +1787 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/casadi_python_solver_helper.py +839 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/emulator_solver_helper.py +322 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/external_simulation_helper.py +591 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/myokit_helper.py +1528 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/name_resolver.py +184 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/opencor_helper.py +387 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/param_grouping.py +56 -0
- libcuflynx-0.4.0/src/libcuflynx/solver_wrappers/python_solver_helper.py +457 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/__init__.py +0 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/casadi_solver_diagnostics.py +378 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/diagnostics.py +117 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/elic_run.py +56 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/libcellml_helper_funcs.py +160 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/libcellml_utilities.py +271 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/mpi_utils.py +362 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/obs_data_helpers.py +265 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/package_resources.py +117 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/paperPlotSetup.py +60 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/params_for_id_helpers.py +79 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/paths.py +145 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/plot_generated_model_outputs.py +79 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/protocol_funcs.py +98 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/protocol_shapes.py +435 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/stat_distributions.py +35 -0
- libcuflynx-0.4.0/src/libcuflynx/utilities/utility_funcs.py +528 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/PKG-INFO +266 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/SOURCES.txt +249 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/dependency_links.txt +1 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/entry_points.txt +8 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/requires.txt +60 -0
- libcuflynx-0.4.0/src/libcuflynx.egg-info/top_level.txt +12 -0
- libcuflynx-0.4.0/src/models/__init__.py +11 -0
- libcuflynx-0.4.0/src/param_id/__init__.py +11 -0
- libcuflynx-0.4.0/src/parsers/__init__.py +11 -0
- libcuflynx-0.4.0/src/protocol_runners/__init__.py +11 -0
- libcuflynx-0.4.0/src/scripts/__init__.py +11 -0
- libcuflynx-0.4.0/src/sensitivity_analysis/__init__.py +11 -0
- libcuflynx-0.4.0/src/solver_wrappers/__init__.py +11 -0
- libcuflynx-0.4.0/src/utilities/__init__.py +11 -0
- libcuflynx-0.4.0/tests/test_UQ.py +244 -0
- libcuflynx-0.4.0/tests/test_aadc_conditionals.py +186 -0
- libcuflynx-0.4.0/tests/test_aadc_coupled_pipeline.py +295 -0
- libcuflynx-0.4.0/tests/test_aadc_solvers.py +410 -0
- libcuflynx-0.4.0/tests/test_aadc_vs_casadi_3compartment.py +757 -0
- libcuflynx-0.4.0/tests/test_autogeneration.py +350 -0
- libcuflynx-0.4.0/tests/test_backend_import_errors.py +181 -0
- libcuflynx-0.4.0/tests/test_benchmarks.py +269 -0
- libcuflynx-0.4.0/tests/test_casadi_conditionals.py +197 -0
- libcuflynx-0.4.0/tests/test_cellml_connection_uniqueness.py +184 -0
- libcuflynx-0.4.0/tests/test_collect_only_no_summary_wait.py +74 -0
- libcuflynx-0.4.0/tests/test_console_entry_points.py +334 -0
- libcuflynx-0.4.0/tests/test_cost_kwargs.py +137 -0
- libcuflynx-0.4.0/tests/test_cost_weight_indexing.py +183 -0
- libcuflynx-0.4.0/tests/test_csv_header_parsing.py +90 -0
- libcuflynx-0.4.0/tests/test_dependency_extras.py +402 -0
- libcuflynx-0.4.0/tests/test_deprecated_flat_imports.py +317 -0
- libcuflynx-0.4.0/tests/test_distribution_ground_truth.py +307 -0
- libcuflynx-0.4.0/tests/test_docs_consistency.py +185 -0
- libcuflynx-0.4.0/tests/test_emulator_settings.py +365 -0
- libcuflynx-0.4.0/tests/test_emulator_solver_helper.py +429 -0
- libcuflynx-0.4.0/tests/test_emulator_training.py +658 -0
- libcuflynx-0.4.0/tests/test_error_vector_names.py +82 -0
- libcuflynx-0.4.0/tests/test_external_simulation_helper.py +760 -0
- libcuflynx-0.4.0/tests/test_external_user_funcs.py +410 -0
- libcuflynx-0.4.0/tests/test_fd_observable_sensitivities.py +447 -0
- libcuflynx-0.4.0/tests/test_flattened_cellml_naming.py +85 -0
- libcuflynx-0.4.0/tests/test_fsa_analytic_accuracy.py +311 -0
- libcuflynx-0.4.0/tests/test_fsa_grouped_sensitivities.py +266 -0
- libcuflynx-0.4.0/tests/test_ga_objective_and_selection.py +198 -0
- libcuflynx-0.4.0/tests/test_ga_population.py +68 -0
- libcuflynx-0.4.0/tests/test_generate_modules_files.py +124 -0
- libcuflynx-0.4.0/tests/test_grouped_params.py +120 -0
- libcuflynx-0.4.0/tests/test_heat_fenics_example.py +750 -0
- libcuflynx-0.4.0/tests/test_issue_fixes.py +309 -0
- libcuflynx-0.4.0/tests/test_laplace_identifiability.py +197 -0
- libcuflynx-0.4.0/tests/test_libcellml_shims.py +118 -0
- libcuflynx-0.4.0/tests/test_manual_marker.py +132 -0
- libcuflynx-0.4.0/tests/test_mcmc_chain_checkpoints.py +264 -0
- libcuflynx-0.4.0/tests/test_mcmc_statistics.py +262 -0
- libcuflynx-0.4.0/tests/test_modifier_backend_equivalence.py +320 -0
- libcuflynx-0.4.0/tests/test_modifier_funcs.py +338 -0
- libcuflynx-0.4.0/tests/test_mpi_utils.py +295 -0
- libcuflynx-0.4.0/tests/test_myokit_import_race.py +92 -0
- libcuflynx-0.4.0/tests/test_myokit_import_race_live.py +162 -0
- libcuflynx-0.4.0/tests/test_next_sub_release_asks.py +326 -0
- libcuflynx-0.4.0/tests/test_no_writes_into_package.py +393 -0
- libcuflynx-0.4.0/tests/test_obs_data_conventions.py +112 -0
- libcuflynx-0.4.0/tests/test_omex_analysis_pipeline.py +180 -0
- libcuflynx-0.4.0/tests/test_operation_kwargs.py +436 -0
- libcuflynx-0.4.0/tests/test_package_resources.py +171 -0
- libcuflynx-0.4.0/tests/test_package_syntax.py +147 -0
- libcuflynx-0.4.0/tests/test_param_id.py +5385 -0
- libcuflynx-0.4.0/tests/test_param_id_model_type.py +40 -0
- libcuflynx-0.4.0/tests/test_param_modifiers.py +303 -0
- libcuflynx-0.4.0/tests/test_param_priors.py +520 -0
- libcuflynx-0.4.0/tests/test_params_for_id_json.py +223 -0
- libcuflynx-0.4.0/tests/test_protocol_funcs.py +363 -0
- libcuflynx-0.4.0/tests/test_protocol_shapes.py +590 -0
- libcuflynx-0.4.0/tests/test_protocol_state_continuity.py +183 -0
- libcuflynx-0.4.0/tests/test_release_workflow.py +206 -0
- libcuflynx-0.4.0/tests/test_scipy_ode_example.py +272 -0
- libcuflynx-0.4.0/tests/test_sensitivity_analysis.py +458 -0
- libcuflynx-0.4.0/tests/test_solver_info_validation.py +1795 -0
- libcuflynx-0.4.0/tests/test_solvers.py +1884 -0
- libcuflynx-0.4.0/tests/test_tmpdir_independence.py +67 -0
- libcuflynx-0.4.0/tests/test_unit_conversion.py +259 -0
- libcuflynx-0.4.0/tests/test_uq_cost_funcs.py +152 -0
- libcuflynx-0.4.0/tests/test_uq_diagnostics.py +194 -0
- libcuflynx-0.4.0/tests/test_uq_equal_weights.py +163 -0
- libcuflynx-0.4.0/tests/test_uq_on_emulator.py +370 -0
- libcuflynx-0.4.0/tests/test_uq_posterior_plots.py +247 -0
- libcuflynx-0.4.0/tests/test_uq_pymc_backend.py +178 -0
- libcuflynx-0.4.0/tests/test_uq_pymc_live_chain.py +384 -0
- libcuflynx-0.4.0/tests/test_uq_pymc_mpi.py +334 -0
- libcuflynx-0.4.0/tests/test_user_inputs_archive.py +51 -0
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Metadata-Version: 2.4
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Name: libcuflynx
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Version: 0.4.0
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Summary: Generation and calibration of CellML circulatory system models from module/vessel arrays
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Author: Finbar J. Argus
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License: Apache-2.0
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Keywords: cellml,circulatory,modeling,parameter-identification
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Classifier: Development Status :: 3 - Alpha
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Classifier: Intended Audience :: Science/Research
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Classifier: Programming Language :: Python :: 3
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Classifier: Programming Language :: Python :: 3.10
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# Overview
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[](https://github.com/physiomelinks/circulatory_autogen/actions/workflows/tests.yml)
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This project allows the generation and calibration of cellml (and soon to be more) circulatory system models from an array of module/vessel names and connections.
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**The repository is `circulatory_autogen`; the package it installs is `libcuflynx`.** They are the
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same project under two names: papers, issues and this repository say *circulatory_autogen*, while
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PyPI, `pip install` and every `import` say *libcuflynx*. Searching for either name should find you
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this page.
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> **Note:** Test results and pass percentage are displayed in the [GitHub Actions workflow summary](https://github.com/physiomelinks/circulatory_autogen/actions/workflows/tests.yml). The badge above shows the overall test status (passing/failing) for `master` of this repository, which is where pull requests are merged.
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# Installing, and what each extra costs
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The package is `libcuflynx`. A plain install gives you generation, simulation, calibration,
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sensitivity analysis and the built-in (emcee) MCMC:
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```
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pip install libcuflynx
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```
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Everything beyond that is an extra, because the optional parts are not small. These are
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installed sizes on disk, not wheel sizes — measured by installing into a fresh venv on Linux
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and taking `du` of `site-packages`, so they include the shared libraries that show up as
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companion directories (`scipy.libs`, `numpy.libs`) and every transitive dependency:
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| install | on disk | what it buys |
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|---|---|---|
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| `libcuflynx` | **≈ 540 MB** | generation, simulation, calibration, Sobol SA, emcee MCMC, Laplace identifiability |
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| `libcuflynx[mpi]` | **+5 MB**, and a system MPI toolchain | multi-rank runs under `mpiexec` |
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| `libcuflynx[casadi]` | **+221 MB** | `model_type: casadi_python`, `solver: casadi_integrator`, symbolic AD gradients |
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| `libcuflynx[uq]` | **+65 MB** | the pyMC sampler (`UQ_options: library: pymc`) |
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| `libcuflynx[emulation]` | **+750 MB or more** | training and using surrogate models (`do_emulation` / `use_emulator`) |
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| `libcuflynx[cpp]` | +0 MB | `model_type: cpp` — needs a C++ toolchain, which pip cannot install |
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| `libcuflynx[all]` | **≈ 1.6 GB** | all of the above |
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`[emulation]` is the one to think about before typing: `autoemulate` pulls in **torch**, which
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is 734 MB on its own — more than the whole default install — and requires Python >=3.10,<3.13.
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On Linux, pip's default torch wheel also drags in the bundled NVIDIA CUDA libraries, which can
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take it past 2 GB; install a CPU-only torch first if you do not want them. Because `[all]`
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includes `[emulation]`, `[all]` inherits that Python range too.
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The per-package numbers below do not add up to the total: the long tail of small transitive
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dependencies (packaging, dateutil, six, typing-extensions, cycler, joblib, threadpoolctl, ...)
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accounts for the rest.
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What makes up the default install: scipy 109 (+27 in `scipy.libs`), pandas 65, statsmodels 49,
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scikit-learn 46, numpy 41 (+27 in `numpy.libs`), matplotlib 28 with fontTools 25 / pillow 21,
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myokit 13, lxml 12, libcellml 8, kiwisolver 7, nevergrad 5, SALib 5, rdflib 5, libcuflynx
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itself 4, pint 3, seaborn 3, and emcee / corner / tqdm / numdifftools at about 1 MB each.
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The two that are larger than they look are **statsmodels (49 MB)** and **scikit-learn (46 MB)**.
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Neither is optional today: statsmodels supplies the Geweke diagnostic run after every emcee
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MCMC chain, and scikit-learn fits the quadratic used by the Laplace identifiability analysis.
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Both are on paths a plain install is expected to reach.
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**`[mpi]` is an extra, and that is the deliberate part.** `mpi4py` itself is only 5 MB, but it
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compiles against a system MPI toolchain (`libopenmpi-dev`, `mpich`) at install time, and that
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is the commonest `pip install` failure on macOS and Windows. A serial calibration needs none of
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it: `libcuflynx.utilities.mpi_utils` answers rank/size and supplies the one-rank collectives
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without ever importing `mpi4py`. Install the toolchain first, then the extra:
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```
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sudo apt install libopenmpi-dev # or: brew install open-mpi
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pip install "libcuflynx[mpi]"
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```
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Ask for a model type, solver or analysis whose extra is missing and the error names the extra
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to install rather than reporting a bare missing module.
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Developing on a checkout instead: `pip install -e ".[dev]"`, which adds the test and lint
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tooling plus `mpi4py` (`tests/conftest.py` imports it at module scope, so the suite will not
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even collect without it) and `casadi` (whose tests otherwise `importorskip` themselves into
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silence).
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# Quickstart
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```
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pip install libcuflynx
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```
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No import path setup and no checkout are required — the package is importable, and its
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commands runnable, from any directory:
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```python
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from libcuflynx.utilities.utility_funcs import get_default_inp_data_dict
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from libcuflynx.scripts.script_generate_with_new_architecture import generate_with_new_architecture
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from libcuflynx.solver_wrappers import get_simulation_helper_from_inp_data_dict
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from libcuflynx.param_id.paramID import CVS0DParamID
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inp = get_default_inp_data_dict(file_prefix, input_param_file, resources_dir)
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generate_with_new_architecture(inp_data_dict=inp) # CSV arrays -> CellML
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sim = get_simulation_helper_from_inp_data_dict(inp) # simulate it
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sim.run()
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pid = CVS0DParamID.init_from_dict(inp) # calibrate it
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```
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Each pipeline stage also has a console command, all configured from
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`user_run_files/user_inputs.yaml` and all taking `--help`:
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| Command | Stage |
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|---|---|
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| `cuflynx-generate` | generate a model from the CSV arrays |
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| `cuflynx-param-id` | generate + calibrate (`mpiexec -n N` for parallel) |
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| `cuflynx-sequential-param-id` | staged calibration — declared, not yet implemented |
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| `cuflynx-sensitivity` | Sobol sensitivity analysis |
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| `cuflynx-identifiability` | Laplace / profile-likelihood identifiability |
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| `cuflynx-train-emulator` | train a surrogate of the obs features |
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| `cuflynx-plot` | plot calibration results |
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### `CUFLYNX_USER_DIR` — where an installed libcuflynx reads and writes
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Every stage needs a directory holding `user_run_files/user_inputs.yaml`, and (unless the
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config overrides them) `resources/`, `module_config_user/`, `funcs_user/`,
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`generated_models/` and `param_id_output/`. It is `$CUFLYNX_USER_DIR` if set; otherwise the
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circulatory_autogen checkout being run from, if this is one — so a clone or a
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`pip install -e .` needs no configuration; otherwise the current working directory.
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+
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After a plain `pip install libcuflynx` there is no checkout, so either run from your working
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directory or point the variable at it:
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|
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```bash
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export CUFLYNX_USER_DIR=/path/to/my_study
|
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cuflynx-param-id
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|
+
```
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+
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Nothing is ever written inside the installed package.
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**Imports without the `libcuflynx.` prefix are deprecated.** `from param_id.paramID import
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CVS0DParamID` still works in 0.4.0 and emits a `DeprecationWarning`; the shims are **removed in
|
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0.5.0**. See `CHANGELOG.md` for the migration, including the one for anyone who edited
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`funcs_user/*_funcs_user.py` in place.
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# Tutorial
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Follow the instructions in the tutorial to run the project: https://physiomelinks.github.io/circulatory_autogen/
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# AI-generated interactive tutorial
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BETA MODE: This AI-generated tutorial can be used to further understand the code base: https://deepwiki.com/FinbarArgus/circulatory_autogen/1-overview
|
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# The `CVODE_opencor` solver requires OpenCOR
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+
|
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Every solver works from a plain install **except** `CVODE_opencor`. That backend needs the
|
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`opencor` Python module, which is supplied by an [OpenCOR](https://opencor.ws) installation
|
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|
+
and is not published on PyPI — so it cannot be shipped in a wheel and no `pip install` can
|
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+
provide it. Asking for it without OpenCOR raises an error naming the alternative rather than
|
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|
+
a bare `ModuleNotFoundError`.
|
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|
+
|
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|
+
- **Use `solver: CVODE_myokit` instead.** It is a drop-in replacement: the same CellML model,
|
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|
+
integrated by CVODE, with no OpenCOR involved. It is what `user_inputs.yaml` ships with,
|
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+
and nothing else in the project needs OpenCOR.
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- **Or run inside OpenCOR**, whose bundled interpreter provides `opencor`. That route is
|
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+
deprecated — see
|
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[Deprecated: OpenCOR-based setup](https://physiomelinks.github.io/circulatory_autogen/getting-started/#deprecated-opencor-based-setup).
|
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+
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This is expected to be replaced by a plain `pip install libopencor` once
|
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[libOpenCOR](https://opencor.ws/libopencor/) reaches PyPI; the bundled-interpreter route and
|
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the scripts that support it will be removed then.
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+
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The handful of tests that exercise this backend are marked `need_opencor`. They have **no
|
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auto-skip**, so without OpenCOR they fail rather than skip — deselect them with
|
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`-m "not need_opencor"`, which is what CI does.
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# Releasing
|
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+
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Releases are cut from a `v*` tag and published to PyPI by
|
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[`.github/workflows/release.yml`](.github/workflows/release.yml) using trusted publishing
|
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(OIDC) — no API token is stored anywhere. The procedure, the release-notes checklist, and the
|
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+
rules that cannot be undone (the tag must match `version` in `pyproject.toml`; a PyPI version
|
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|
+
can never be re-uploaded) are in [CONTRIBUTING.md](CONTRIBUTING.md#making-a-release).
|
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|
+
|
|
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|
+
# Citing this work
|
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|
+
|
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|
+
Cite the project as **circulatory_autogen** — that is the name used by the publications, the
|
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|
+
repository and any archived DOI. The PyPI distribution `libcuflynx` is the *same* software under
|
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+
its packaging name, so a paper citing circulatory_autogen and an environment listing
|
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|
+
`libcuflynx==0.4.0` refer to one artifact, not two. When it helps reproducibility, record both:
|
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|
+
the citation for the project and the exact package version installed, e.g.
|
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|
+
"circulatory_autogen (PyPI package `libcuflynx`, version 0.4.0)".
|
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+
|
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# License
|
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circulatory_autogen is fully open source and distributed under the very permissive Apache License 2.0. See LICENSE for more information.
|
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+
|
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## Optional third-party backends (not part of circulatory_autogen)
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+
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circulatory_autogen is complete and fully open source on its own. Every feature works
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without installing any proprietary software.
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+
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Separately, the project ships optional *adapters* that let users who already hold a licence
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for certain third-party products plug them in. Those products are **not part of
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circulatory_autogen**, are **not bundled or installed with it**, are **not covered by the
|
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Apache-2.0 licence above**, and are **not required by any feature**.
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+
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- See [Optional third-party backends](https://physiomelinks.github.io/circulatory_autogen/getting-started/) in the tutorial for more info.
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@@ -0,0 +1,196 @@
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# Overview
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[](https://github.com/physiomelinks/circulatory_autogen/actions/workflows/tests.yml)
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+
|
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+
This project allows the generation and calibration of cellml (and soon to be more) circulatory system models from an array of module/vessel names and connections.
|
|
6
|
+
|
|
7
|
+
**The repository is `circulatory_autogen`; the package it installs is `libcuflynx`.** They are the
|
|
8
|
+
same project under two names: papers, issues and this repository say *circulatory_autogen*, while
|
|
9
|
+
PyPI, `pip install` and every `import` say *libcuflynx*. Searching for either name should find you
|
|
10
|
+
this page.
|
|
11
|
+
|
|
12
|
+
> **Note:** Test results and pass percentage are displayed in the [GitHub Actions workflow summary](https://github.com/physiomelinks/circulatory_autogen/actions/workflows/tests.yml). The badge above shows the overall test status (passing/failing) for `master` of this repository, which is where pull requests are merged.
|
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+
|
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14
|
+
# Installing, and what each extra costs
|
|
15
|
+
|
|
16
|
+
The package is `libcuflynx`. A plain install gives you generation, simulation, calibration,
|
|
17
|
+
sensitivity analysis and the built-in (emcee) MCMC:
|
|
18
|
+
|
|
19
|
+
```
|
|
20
|
+
pip install libcuflynx
|
|
21
|
+
```
|
|
22
|
+
|
|
23
|
+
Everything beyond that is an extra, because the optional parts are not small. These are
|
|
24
|
+
installed sizes on disk, not wheel sizes — measured by installing into a fresh venv on Linux
|
|
25
|
+
and taking `du` of `site-packages`, so they include the shared libraries that show up as
|
|
26
|
+
companion directories (`scipy.libs`, `numpy.libs`) and every transitive dependency:
|
|
27
|
+
|
|
28
|
+
| install | on disk | what it buys |
|
|
29
|
+
|---|---|---|
|
|
30
|
+
| `libcuflynx` | **≈ 540 MB** | generation, simulation, calibration, Sobol SA, emcee MCMC, Laplace identifiability |
|
|
31
|
+
| `libcuflynx[mpi]` | **+5 MB**, and a system MPI toolchain | multi-rank runs under `mpiexec` |
|
|
32
|
+
| `libcuflynx[casadi]` | **+221 MB** | `model_type: casadi_python`, `solver: casadi_integrator`, symbolic AD gradients |
|
|
33
|
+
| `libcuflynx[uq]` | **+65 MB** | the pyMC sampler (`UQ_options: library: pymc`) |
|
|
34
|
+
| `libcuflynx[emulation]` | **+750 MB or more** | training and using surrogate models (`do_emulation` / `use_emulator`) |
|
|
35
|
+
| `libcuflynx[cpp]` | +0 MB | `model_type: cpp` — needs a C++ toolchain, which pip cannot install |
|
|
36
|
+
| `libcuflynx[all]` | **≈ 1.6 GB** | all of the above |
|
|
37
|
+
|
|
38
|
+
`[emulation]` is the one to think about before typing: `autoemulate` pulls in **torch**, which
|
|
39
|
+
is 734 MB on its own — more than the whole default install — and requires Python >=3.10,<3.13.
|
|
40
|
+
On Linux, pip's default torch wheel also drags in the bundled NVIDIA CUDA libraries, which can
|
|
41
|
+
take it past 2 GB; install a CPU-only torch first if you do not want them. Because `[all]`
|
|
42
|
+
includes `[emulation]`, `[all]` inherits that Python range too.
|
|
43
|
+
|
|
44
|
+
The per-package numbers below do not add up to the total: the long tail of small transitive
|
|
45
|
+
dependencies (packaging, dateutil, six, typing-extensions, cycler, joblib, threadpoolctl, ...)
|
|
46
|
+
accounts for the rest.
|
|
47
|
+
|
|
48
|
+
What makes up the default install: scipy 109 (+27 in `scipy.libs`), pandas 65, statsmodels 49,
|
|
49
|
+
scikit-learn 46, numpy 41 (+27 in `numpy.libs`), matplotlib 28 with fontTools 25 / pillow 21,
|
|
50
|
+
myokit 13, lxml 12, libcellml 8, kiwisolver 7, nevergrad 5, SALib 5, rdflib 5, libcuflynx
|
|
51
|
+
itself 4, pint 3, seaborn 3, and emcee / corner / tqdm / numdifftools at about 1 MB each.
|
|
52
|
+
|
|
53
|
+
The two that are larger than they look are **statsmodels (49 MB)** and **scikit-learn (46 MB)**.
|
|
54
|
+
Neither is optional today: statsmodels supplies the Geweke diagnostic run after every emcee
|
|
55
|
+
MCMC chain, and scikit-learn fits the quadratic used by the Laplace identifiability analysis.
|
|
56
|
+
Both are on paths a plain install is expected to reach.
|
|
57
|
+
|
|
58
|
+
**`[mpi]` is an extra, and that is the deliberate part.** `mpi4py` itself is only 5 MB, but it
|
|
59
|
+
compiles against a system MPI toolchain (`libopenmpi-dev`, `mpich`) at install time, and that
|
|
60
|
+
is the commonest `pip install` failure on macOS and Windows. A serial calibration needs none of
|
|
61
|
+
it: `libcuflynx.utilities.mpi_utils` answers rank/size and supplies the one-rank collectives
|
|
62
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+
without ever importing `mpi4py`. Install the toolchain first, then the extra:
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63
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+
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64
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+
```
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65
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+
sudo apt install libopenmpi-dev # or: brew install open-mpi
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66
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+
pip install "libcuflynx[mpi]"
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67
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+
```
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68
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+
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69
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+
Ask for a model type, solver or analysis whose extra is missing and the error names the extra
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+
to install rather than reporting a bare missing module.
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71
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+
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72
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+
Developing on a checkout instead: `pip install -e ".[dev]"`, which adds the test and lint
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+
tooling plus `mpi4py` (`tests/conftest.py` imports it at module scope, so the suite will not
|
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+
even collect without it) and `casadi` (whose tests otherwise `importorskip` themselves into
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silence).
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+
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+
# Quickstart
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78
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+
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79
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+
```
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80
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+
pip install libcuflynx
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81
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+
```
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82
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+
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83
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+
No import path setup and no checkout are required — the package is importable, and its
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+
commands runnable, from any directory:
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85
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+
|
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86
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+
```python
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87
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+
from libcuflynx.utilities.utility_funcs import get_default_inp_data_dict
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88
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+
from libcuflynx.scripts.script_generate_with_new_architecture import generate_with_new_architecture
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+
from libcuflynx.solver_wrappers import get_simulation_helper_from_inp_data_dict
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90
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+
from libcuflynx.param_id.paramID import CVS0DParamID
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91
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+
|
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92
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+
inp = get_default_inp_data_dict(file_prefix, input_param_file, resources_dir)
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93
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+
generate_with_new_architecture(inp_data_dict=inp) # CSV arrays -> CellML
|
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94
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+
sim = get_simulation_helper_from_inp_data_dict(inp) # simulate it
|
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|
+
sim.run()
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96
|
+
pid = CVS0DParamID.init_from_dict(inp) # calibrate it
|
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97
|
+
```
|
|
98
|
+
|
|
99
|
+
Each pipeline stage also has a console command, all configured from
|
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+
`user_run_files/user_inputs.yaml` and all taking `--help`:
|
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|
+
|
|
102
|
+
| Command | Stage |
|
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|
+
|---|---|
|
|
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|
+
| `cuflynx-generate` | generate a model from the CSV arrays |
|
|
105
|
+
| `cuflynx-param-id` | generate + calibrate (`mpiexec -n N` for parallel) |
|
|
106
|
+
| `cuflynx-sequential-param-id` | staged calibration — declared, not yet implemented |
|
|
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|
+
| `cuflynx-sensitivity` | Sobol sensitivity analysis |
|
|
108
|
+
| `cuflynx-identifiability` | Laplace / profile-likelihood identifiability |
|
|
109
|
+
| `cuflynx-train-emulator` | train a surrogate of the obs features |
|
|
110
|
+
| `cuflynx-plot` | plot calibration results |
|
|
111
|
+
|
|
112
|
+
### `CUFLYNX_USER_DIR` — where an installed libcuflynx reads and writes
|
|
113
|
+
|
|
114
|
+
Every stage needs a directory holding `user_run_files/user_inputs.yaml`, and (unless the
|
|
115
|
+
config overrides them) `resources/`, `module_config_user/`, `funcs_user/`,
|
|
116
|
+
`generated_models/` and `param_id_output/`. It is `$CUFLYNX_USER_DIR` if set; otherwise the
|
|
117
|
+
circulatory_autogen checkout being run from, if this is one — so a clone or a
|
|
118
|
+
`pip install -e .` needs no configuration; otherwise the current working directory.
|
|
119
|
+
|
|
120
|
+
After a plain `pip install libcuflynx` there is no checkout, so either run from your working
|
|
121
|
+
directory or point the variable at it:
|
|
122
|
+
|
|
123
|
+
```bash
|
|
124
|
+
export CUFLYNX_USER_DIR=/path/to/my_study
|
|
125
|
+
cuflynx-param-id
|
|
126
|
+
```
|
|
127
|
+
|
|
128
|
+
Nothing is ever written inside the installed package.
|
|
129
|
+
|
|
130
|
+
**Imports without the `libcuflynx.` prefix are deprecated.** `from param_id.paramID import
|
|
131
|
+
CVS0DParamID` still works in 0.4.0 and emits a `DeprecationWarning`; the shims are **removed in
|
|
132
|
+
0.5.0**. See `CHANGELOG.md` for the migration, including the one for anyone who edited
|
|
133
|
+
`funcs_user/*_funcs_user.py` in place.
|
|
134
|
+
|
|
135
|
+
# Tutorial
|
|
136
|
+
|
|
137
|
+
Follow the instructions in the tutorial to run the project: https://physiomelinks.github.io/circulatory_autogen/
|
|
138
|
+
|
|
139
|
+
# AI-generated interactive tutorial
|
|
140
|
+
|
|
141
|
+
BETA MODE: This AI-generated tutorial can be used to further understand the code base: https://deepwiki.com/FinbarArgus/circulatory_autogen/1-overview
|
|
142
|
+
|
|
143
|
+
# The `CVODE_opencor` solver requires OpenCOR
|
|
144
|
+
|
|
145
|
+
Every solver works from a plain install **except** `CVODE_opencor`. That backend needs the
|
|
146
|
+
`opencor` Python module, which is supplied by an [OpenCOR](https://opencor.ws) installation
|
|
147
|
+
and is not published on PyPI — so it cannot be shipped in a wheel and no `pip install` can
|
|
148
|
+
provide it. Asking for it without OpenCOR raises an error naming the alternative rather than
|
|
149
|
+
a bare `ModuleNotFoundError`.
|
|
150
|
+
|
|
151
|
+
- **Use `solver: CVODE_myokit` instead.** It is a drop-in replacement: the same CellML model,
|
|
152
|
+
integrated by CVODE, with no OpenCOR involved. It is what `user_inputs.yaml` ships with,
|
|
153
|
+
and nothing else in the project needs OpenCOR.
|
|
154
|
+
- **Or run inside OpenCOR**, whose bundled interpreter provides `opencor`. That route is
|
|
155
|
+
deprecated — see
|
|
156
|
+
[Deprecated: OpenCOR-based setup](https://physiomelinks.github.io/circulatory_autogen/getting-started/#deprecated-opencor-based-setup).
|
|
157
|
+
|
|
158
|
+
This is expected to be replaced by a plain `pip install libopencor` once
|
|
159
|
+
[libOpenCOR](https://opencor.ws/libopencor/) reaches PyPI; the bundled-interpreter route and
|
|
160
|
+
the scripts that support it will be removed then.
|
|
161
|
+
|
|
162
|
+
The handful of tests that exercise this backend are marked `need_opencor`. They have **no
|
|
163
|
+
auto-skip**, so without OpenCOR they fail rather than skip — deselect them with
|
|
164
|
+
`-m "not need_opencor"`, which is what CI does.
|
|
165
|
+
|
|
166
|
+
# Releasing
|
|
167
|
+
|
|
168
|
+
Releases are cut from a `v*` tag and published to PyPI by
|
|
169
|
+
[`.github/workflows/release.yml`](.github/workflows/release.yml) using trusted publishing
|
|
170
|
+
(OIDC) — no API token is stored anywhere. The procedure, the release-notes checklist, and the
|
|
171
|
+
rules that cannot be undone (the tag must match `version` in `pyproject.toml`; a PyPI version
|
|
172
|
+
can never be re-uploaded) are in [CONTRIBUTING.md](CONTRIBUTING.md#making-a-release).
|
|
173
|
+
|
|
174
|
+
# Citing this work
|
|
175
|
+
|
|
176
|
+
Cite the project as **circulatory_autogen** — that is the name used by the publications, the
|
|
177
|
+
repository and any archived DOI. The PyPI distribution `libcuflynx` is the *same* software under
|
|
178
|
+
its packaging name, so a paper citing circulatory_autogen and an environment listing
|
|
179
|
+
`libcuflynx==0.4.0` refer to one artifact, not two. When it helps reproducibility, record both:
|
|
180
|
+
the citation for the project and the exact package version installed, e.g.
|
|
181
|
+
"circulatory_autogen (PyPI package `libcuflynx`, version 0.4.0)".
|
|
182
|
+
|
|
183
|
+
# License
|
|
184
|
+
circulatory_autogen is fully open source and distributed under the very permissive Apache License 2.0. See LICENSE for more information.
|
|
185
|
+
|
|
186
|
+
## Optional third-party backends (not part of circulatory_autogen)
|
|
187
|
+
|
|
188
|
+
circulatory_autogen is complete and fully open source on its own. Every feature works
|
|
189
|
+
without installing any proprietary software.
|
|
190
|
+
|
|
191
|
+
Separately, the project ships optional *adapters* that let users who already hold a licence
|
|
192
|
+
for certain third-party products plug them in. Those products are **not part of
|
|
193
|
+
circulatory_autogen**, are **not bundled or installed with it**, are **not covered by the
|
|
194
|
+
Apache-2.0 licence above**, and are **not required by any feature**.
|
|
195
|
+
|
|
196
|
+
- See [Optional third-party backends](https://physiomelinks.github.io/circulatory_autogen/getting-started/) in the tutorial for more info.
|