pymrm 2.2.1__tar.gz → 2.2.2__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.
Files changed (85) hide show
  1. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/build.yml +13 -0
  2. {pymrm-2.2.1 → pymrm-2.2.2}/CITATION.cff +2 -2
  3. {pymrm-2.2.1 → pymrm-2.2.2}/PKG-INFO +1 -1
  4. {pymrm-2.2.1 → pymrm-2.2.2}/docs/installation.md +2 -2
  5. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/modules.rst +1 -1
  6. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/pymrm.rst +19 -8
  7. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/build_documentation.sh +10 -0
  8. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/_version.py +3 -3
  9. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm.egg-info/PKG-INFO +1 -1
  10. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/introduction_and_start.ipynb +1 -1
  11. {pymrm-2.2.1 → pymrm-2.2.2}/.coveragerc +0 -0
  12. {pymrm-2.2.1 → pymrm-2.2.2}/.flake8 +0 -0
  13. {pymrm-2.2.1 → pymrm-2.2.2}/.github/black-formatting.yml +0 -0
  14. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/analysis.yml +0 -0
  15. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/python-publish.yml +0 -0
  16. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/test.yml +0 -0
  17. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/update-citation-cff.yml +0 -0
  18. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/validate-citation-cff.yml +0 -0
  19. {pymrm-2.2.1 → pymrm-2.2.2}/.github/workflows/verification.yml +0 -0
  20. {pymrm-2.2.1 → pymrm-2.2.2}/.gitignore +0 -0
  21. {pymrm-2.2.1 → pymrm-2.2.2}/.gitlab-ci.yml +0 -0
  22. {pymrm-2.2.1 → pymrm-2.2.2}/.vscode/launch_debugpy.json +0 -0
  23. {pymrm-2.2.1 → pymrm-2.2.2}/.vscode/settings_pytest.json +0 -0
  24. {pymrm-2.2.1 → pymrm-2.2.2}/Dockerfile +0 -0
  25. {pymrm-2.2.1 → pymrm-2.2.2}/LICENSE +0 -0
  26. {pymrm-2.2.1 → pymrm-2.2.2}/MANIFEST.in +0 -0
  27. {pymrm-2.2.1 → pymrm-2.2.2}/README.md +0 -0
  28. {pymrm-2.2.1 → pymrm-2.2.2}/docs/compile_sphinx.md +0 -0
  29. {pymrm-2.2.1 → pymrm-2.2.2}/docs/dependencies_format.md +0 -0
  30. {pymrm-2.2.1 → pymrm-2.2.2}/docs/helpers.md +0 -0
  31. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/Makefile +0 -0
  32. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/conf.py +0 -0
  33. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/index.rst +0 -0
  34. {pymrm-2.2.1 → pymrm-2.2.2}/docs/sphinx/make.bat +0 -0
  35. {pymrm-2.2.1 → pymrm-2.2.2}/environment.yml +0 -0
  36. {pymrm-2.2.1 → pymrm-2.2.2}/examples/counter_current_reaction.ipynb +0 -0
  37. {pymrm-2.2.1 → pymrm-2.2.2}/examples/counter_diffusion_reaction.ipynb +0 -0
  38. {pymrm-2.2.1 → pymrm-2.2.2}/examples/darcy_flow.ipynb +0 -0
  39. {pymrm-2.2.1 → pymrm-2.2.2}/examples/lid_driven_cavity.ipynb +0 -0
  40. {pymrm-2.2.1 → pymrm-2.2.2}/examples/membrane_module_2D.ipynb +0 -0
  41. {pymrm-2.2.1 → pymrm-2.2.2}/examples/membrane_module_2D_Sievert.ipynb +0 -0
  42. {pymrm-2.2.1 → pymrm-2.2.2}/examples/optimization_example.ipynb +0 -0
  43. {pymrm-2.2.1 → pymrm-2.2.2}/examples/particle_model_effectiveness.ipynb +0 -0
  44. {pymrm-2.2.1 → pymrm-2.2.2}/examples/surface_reaction.ipynb +0 -0
  45. {pymrm-2.2.1 → pymrm-2.2.2}/examples/tvd.ipynb +0 -0
  46. {pymrm-2.2.1 → pymrm-2.2.2}/examples/unsteady_convection_reaction.ipynb +0 -0
  47. {pymrm-2.2.1 → pymrm-2.2.2}/examples/unsteady_diffusion_reaction_2D.ipynb +0 -0
  48. {pymrm-2.2.1 → pymrm-2.2.2}/pyproject.toml +0 -0
  49. {pymrm-2.2.1 → pymrm-2.2.2}/requirements.txt +0 -0
  50. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_examples.py +0 -0
  51. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_exercises.py +0 -0
  52. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_linter.sh +0 -0
  53. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_notebook.py +0 -0
  54. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_tutorials.py +0 -0
  55. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/run_unit_tests.sh +0 -0
  56. {pymrm-2.2.1 → pymrm-2.2.2}/scripts/split_notebook.py +0 -0
  57. {pymrm-2.2.1 → pymrm-2.2.2}/setup.cfg +0 -0
  58. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/__init__.py +0 -0
  59. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/convect.py +0 -0
  60. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/coupling.py +0 -0
  61. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/grid.py +0 -0
  62. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/helpers.py +0 -0
  63. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/interpolate.py +0 -0
  64. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/numjac.py +0 -0
  65. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/operators.py +0 -0
  66. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm/solve.py +0 -0
  67. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm.egg-info/SOURCES.txt +0 -0
  68. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm.egg-info/dependency_links.txt +0 -0
  69. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm.egg-info/requires.txt +0 -0
  70. {pymrm-2.2.1 → pymrm-2.2.2}/src/pymrm.egg-info/top_level.txt +0 -0
  71. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_convect.py +0 -0
  72. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_coupling.py +0 -0
  73. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_csr_format.py +0 -0
  74. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_grid.py +0 -0
  75. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_helpers.py +0 -0
  76. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_integration.py +0 -0
  77. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_interpolate.py +0 -0
  78. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_numjac.py +0 -0
  79. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_operators.py +0 -0
  80. {pymrm-2.2.1 → pymrm-2.2.2}/test/test_solve.py +0 -0
  81. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/diffusion_2D.ipynb +0 -0
  82. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/diffusion_first_order_kinetics.ipynb +0 -0
  83. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/diffusion_model_class.ipynb +0 -0
  84. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/nonlinear_kinetics.ipynb +0 -0
  85. {pymrm-2.2.1 → pymrm-2.2.2}/tutorials/stationary_diffusion.ipynb +0 -0
@@ -23,3 +23,16 @@ jobs:
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  - name: Test Install
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  run: python -m pip install .
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+
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+ documentation:
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+ runs-on: ubuntu-latest
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+ container:
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+ image: python:3.10
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+
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+ steps:
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+ - uses: actions/checkout@v4
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+ - name: Configure git safe.directory for container
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+ run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
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+
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+ - name: Build documentation (with apidoc regeneration)
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+ run: scripts/build_documentation.sh
@@ -1,6 +1,6 @@
1
1
  cff-version: 1.2.0
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  title: "pymrm: Python package for Multiphase Reactor Modeling"
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- version: "2.2.0"
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+ version: "2.2.1"
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  message: "If you use pymrm in your work, please cite the version you used."
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  authors:
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  - family-names: Peters
@@ -9,7 +9,7 @@ authors:
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  - family-names: van Sint Annaland
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  given-names: M.
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  orcid: "https://orcid.org/0000-0002-2903-7443"
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- date-released: "2026-03-24"
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+ date-released: "2026-04-17"
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  identifiers:
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  - type: doi
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  value: 10.5281/zenodo.17065798
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: pymrm
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- Version: 2.2.1
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+ Version: 2.2.2
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  Summary: Functions for multiphase reactor modeling
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  Author-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>, "M. van Sint Annaland" <M.v.SintAnnaland@tue.nl>, "M. Galanti" <m.galanti@tue.nl>, "D.R. Rieder" <d.r.rieder@tue.nl>
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  Maintainer-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>
@@ -82,7 +82,7 @@ PyMRM is available on PyPI and includes all necessary dependencies.
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  ## Verifying the Installation
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84
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  1. **Test the Installation**:
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- - Navigate to the `examples` folder in the PyMRM repository or download example notebooks from the [PyMRM documentation](https://multiscale-modelling-multiphase-flows.github.io/pymrm-book).
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+ - Navigate to the `examples` folder in the PyMRM repository or download example notebooks from the [PyMRM documentation](https://computational-chemical-engineering.github.io/pymrm-book).
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  - Open a notebook in VS Code or Jupyter Notebook and execute the cells to verify that PyMRM and its dependencies are working correctly.
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  2. **Optional: Test in Spyder**:
@@ -94,4 +94,4 @@ PyMRM is available on PyPI and includes all necessary dependencies.
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  ## Conclusion
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- You have successfully set up your environment for using PyMRM. Whether you use VS Code or Spyder, you are now ready to start modeling multiphase reactors. For further guidance, refer to the [PyMRM documentation](https://multiscale-modelling-multiphase-flows.github.io/pymrm-book).
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+ You have successfully set up your environment for using PyMRM. Whether you use VS Code or Spyder, you are now ready to start modeling multiphase reactors. For further guidance, refer to the [PyMRM documentation](https://computational-chemical-engineering.github.io/pymrm-book).
@@ -1,4 +1,4 @@
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- pyMRM
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+ pymrm
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  =====
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  .. toctree::
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+ pymrm package
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+ =============
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+
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  Submodules
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- ==========
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+ ----------
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  pymrm.convect module
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  --------------------
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  .. automodule:: pymrm.convect
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  :members:
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+ :show-inheritance:
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  :undoc-members:
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+
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+ pymrm.coupling module
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+ ---------------------
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+
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+ .. automodule:: pymrm.coupling
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+ :members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.grid module
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  -----------------
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  .. automodule:: pymrm.grid
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.helpers module
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  --------------------
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  .. automodule:: pymrm.helpers
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.interpolate module
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  ------------------------
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  .. automodule:: pymrm.interpolate
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.numjac module
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  -------------------
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  .. automodule:: pymrm.numjac
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.operators module
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  ----------------------
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  .. automodule:: pymrm.operators
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  pymrm.solve module
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  ------------------
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  .. automodule:: pymrm.solve
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
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  Module contents
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  ---------------
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  .. automodule:: pymrm
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  :members:
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- :undoc-members:
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  :show-inheritance:
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+ :undoc-members:
@@ -5,6 +5,16 @@
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  pip install myst-parser # workaround. Should be included in Docker image?
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  pip install -e .
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+ sphinx-apidoc -f -o docs/sphinx src/pymrm
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+ if [[ "${CI}" == "true" ]]; then
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+ api_rst_files=(docs/sphinx/pymrm.rst docs/sphinx/modules.rst)
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+ if ! git diff --quiet HEAD -- "${api_rst_files[@]}"; then
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+ echo "Detected outdated autogenerated Sphinx API files:"
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+ git --no-pager diff HEAD -- "${api_rst_files[@]}"
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+ echo "Run 'sphinx-apidoc -f -o docs/sphinx src/pymrm' and commit the updated rst files."
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+ exit 1
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+ fi
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+ fi
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  cd docs/sphinx
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  mkdir -p _static
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  make html 2>documentation_errors.txt
@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
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  commit_id: str | None
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  __commit_id__: str | None
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- __version__ = version = '2.2.1'
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- __version_tuple__ = version_tuple = (2, 2, 1)
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+ __version__ = version = '2.2.2'
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+ __version_tuple__ = version_tuple = (2, 2, 2)
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- __commit_id__ = commit_id = 'g2edc02389'
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+ __commit_id__ = commit_id = 'g471977efe'
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: pymrm
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- Version: 2.2.1
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+ Version: 2.2.2
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4
  Summary: Functions for multiphase reactor modeling
5
5
  Author-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>, "M. van Sint Annaland" <M.v.SintAnnaland@tue.nl>, "M. Galanti" <m.galanti@tue.nl>, "D.R. Rieder" <d.r.rieder@tue.nl>
6
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  Maintainer-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>
@@ -73,7 +73,7 @@
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  "source": [
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  "## Tutorials\n",
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  "\n",
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- "This collection of tutorials is designed to familiarize you with the basic building blocks of `PyMRM` and some of its advanced features. The full API documentation is available at [PyMRM Documentation](https://multiscale-modelling-multiphase-flows.github.io/pymrm-book/content/api/index.html).\n",
76
+ "This collection of tutorials is designed to familiarize you with the basic building blocks of `PyMRM` and some of its advanced features. The full API documentation is available at [PyMRM Documentation](https://computational-chemical-engineering.github.io/pymrm-book/content/api/index.html).\n",
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  "\n",
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  "Below is an outline of the available tutorials:\n",
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  "\n",
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