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PWA Expert System 0.6.10

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@release-drafter release-drafter released this 11 Mar 16:11
d0b9fb9

Release 0.6.10

This is the final release before the switch to SymPy (see #454)

See all documentation for this version here.

💡 New features

  • Added option an to change mass conservation width factor (#484 and #511)
  • Exception message for violated rules is now easier to read (#485)
  • Node properties and edge IDs are now rendered in dot language (#487 and #510)
  • Added create_n_body_topology and create_isobar_topologies façade functions (#477, #493, and #500)

⚠️ Interface

  • Violated rules are raised as an exception and are note part of the Result class anymore (#459)
  • Topology class has become immutable and hashable (#470)
  • Removed graph_node_comparator from StateTransitionGraph (#478)
  • Result.solutions has been renamed to Result.transitions (#481)
  • Enum members such as InteractionTypes.STRONG are in UPPER_CASE (#499)
  • Final state edge IDs in a Topology and StateTransitionGraph now lie in the range [0, n] with n the number of final states (#504)

🐛 Bug fixes

  • Members of the StateTransitionGraph are protected again (#479)
  • (Unstable) cell IDs have been removed from notebooks (#497)
  • Topology constructor takes Iterable of edge/node IDs, e.g. to support generators (#498)
  • Progress bar works better now in Jupyter notebook because of tqdm.autonotebook (#508)

🔨 Internal maintenance

  • conf.py now uses myst_enable_extensions so that myst-nb >= 0.11 is supported (#463)
  • More classes are defined through with attr.s (#460)
  • Preference is given over Iterable or Sized instead of List etc. (#473)
  • Making more use of tuple unpacking instead of using an index (#474)
  • Using iter(next(...)) instead of an index (#476)
  • The amplitude model constructs info from Topology where possible instead of StateTransitionGraph (e.g. recoil edge IDs) (#475)

📝 Documentation

  • Folder structure for ADRs has been improved so that the URLs on RTD become shorter (#464 and #469)
  • ADR has been added about custom dynamics implementation (#461). This is addressed in
  • Workflow notebook (workflow.ipynb) has been renamed to transition.ipynb (#494). This is in preparation for #454.
  • Top of each sub-module API page has an import statement so that it is easier to see where the sub-module is located (#495)
  • Topology and StateTransitionGraph is rendered with node IDs and labels and edge IDs (#487, #501, and #510)

🖱️ Developer Experience

  • Add math-dollar and other myst extensions (#465)
  • CI runs on draft PR again (#455)
  • tox -e doclive (sphinx-autobuild) now has color output (#462)
  • Jupyter notebooks are now formatted with nbqa-black and nbqa-isort (#466)
  • Documentation build logs are now uploaded as artifacts (#471)
  • Narrowed down type hints in the tests (#472)
  • Added infrastructure for generating custom stubs to the typing folder (#496)
  • Added back the Jupyter Lab extension jupyterlab-code-formatter (#491)
  • Added collapsible_headings Jupyter Lab extension to developer dependencies (#502)
  • pre-commit hooks are now automatically upgraded through GitHub Actions (#506)

Contributors since 0.6.9

@redeboer