This can be used to create a unique, deterministic ordered list of Topology instances. See ComPWA/ampform#6, where one needs a unique way of picking a reference topology.

See how to use this method to permutate final state IDs in a Topology case here.

Accept Graphviz attributes in qrules.io.asdot(), so that the edges, nodes and overall DOT visualization of StateTransitions etc. can be styled. See here how to use.

Closes #10 Closes #11

Added a new class NumberOfThreads under the settings module that makes it possible to set the number of threads globally. This is mainly useful in the tests, where we want to run the StateTransitionManager single-threaded for test coverage (#11). Previously this was done by setting number_of_threads=1 in each test.

Closes #143

Compare this visualization in v0.9.5 with the one for this PR.

• 10379d2 adds a test that fails the check described in #143
• 2e91cb4 fixes that test

Closes ComPWA/policy#43

Follow-up to #139. Consequence is that exported PNG and SVG files have no background. Preview here.

Get old behaviour with qrules.io.asdot(..., bgcolor="white").

All code examples are now clickable with links to corresponding reference documentation (also external links APIs) with sphinx-codeautolink. Closes ComPWA/compwa.github.io#106

Installed jupyterlab-myst

Updated to the first non-beta black release 22.1.0. Most important style effect: no space around power operator **.

This PR makes it possible to render StateTransitions with their node properties (render_node=True) and stripped spin projections. This is required for #124.

See also ComPWA/tensorwaves#363

• docs: pin more intersphinx pages
• docs: remove tensorwaves from intersphinx mapping
• fix: exclude version 'module' from API
• refactor: get intersphinx version through function
• style: capitalize conf.py global vars that are no Sphinx options
• style: sort Sphinx options

See https://qrules.rtfd.io/en/0.9.5/usage/ls-coupling.html

Run with tox -e nb or pytest --nbmake *.ipynb.

See ComPWA/compwa.github.io#90

This also allows upgrading to attrs v21.1, which has better support for pyright
https://www.attrs.org/en/stable/types.html#pyright

Causes downstream problems with TensorFlow:
https://github.com/ComPWA/tensorwaves/runs/3996801941?check_suite_focus=true#step:9:9

• Improved some of the type hints
• Enforcing the use of mypy error codes (# type: ignore[error-code]) with flake8-type-ignore.

See also ComPWA/ampform#168 and ComPWA/tensorwaves#332

Closes ComPWA/compwa.github.io#55

Closes #59

The .flake8 config file was using not using the same comment style as described in
https://flake8.pycqa.org/en/latest/user/configuration.html#project-configuration
Consequence not all errors were identified anymore.

Additional update: config has been simplified with the use of --extend-select.

Closes ComPWA/compwa.github.io#64

Following classes are now better represented in Jupyter noteboooks:

• InitialFacts
• InteractionProperties
• EdgeSettings
• NodeSettings
• GraphSettings
• GraphElementProperties
• QNProblemSet
• QuantumNumberSolution
• QNResult
• ExecutionInfo

Closes #28

Closes #96

Made the StateTransitionManager.topologies attribute public, so that it's easier to feed custom topologies to the StateTransitionManager. Note that the topologies attribute is immutable and can only be modified by overwriting it, so I decided to avoid cluttering the code with additional setters and getters.

An example for 2-to-2 topologies (see also #29) is illustrated in a new notebook.

Improves the docstrings of decorated functions.

Links in the documentation were sometimes still pointing to the expertsystem website. Best avoided by keeping intersphinx_mapping as small as possible.

Describe how to use the conservation_rules module separately.

A preview with cell output can be viewed here:
https://qrules.readthedocs.io/en/doc-conservation-rules/usage/conservation.html
(until this PR is closed).

Input code cells that are too wide get a scroll bar. That's ok, but it looks just a bit better when you can see the entire code without scrolling.

See ComPWA/ampform#104

Some platforms like Zenodo and conda-forge require the license file to be packaged.

Removed the tick-boxes there, because they do not render correctly on PyPI.

Closes ComPWA/compwa.github.io#61

Automated changes by create-pull-request GitHub action

Links in the documentation were sometimes still pointing to the expertsystem website. Best avoided by keeping intersphinx_mapping as small as possible.

Closes #96

An example for 2-to-2 topologies (see also #29) is illustrated in a new notebook.

pre-commit.ci is faster than GitHub Actions, so it would be better to switch to that. Another major advantage: it can auto-fix style problems.

The only problem is that hooks like pylint, mypy, and even flake8 require additional dependencies and we don't want to maintain a list of those in both setup.cfg (required for code editors that use those dependencies) as well as in .pre-commit-config.yaml. There are also hooks like pyright and editorconfig-checker that don't work well on pre-commit.ci.

This PR makes all hooks that don't require additional dependencies (like black and isort) 'non-local'. This also works better with source control in VSCode.
Caveat: pinned requirements might diverge from the versions of the hooks.

This PR is a bit experimental -- we'll have to see how well this works out before it is implemented in AmpForm etc.

Another potential problem is that (as far as I know), pre-commit.ci cannot switch off autoupdate (at most set to quarterly). It is (for now) better to upgrade the hooks along with the requirement pinning though.

See ComPWA/ampform#147

Turn StateTransitionCollection into an immutable abc.Sequence, instead of a set.

Allow converting an iterable (not just a sequence) to DOT. This enables rendering for instance the output of a filter as DOT:

import graphviz
import qrules

reaction = qrules.generate_transitions(
    initial_state="J/psi(1S)",
    final_state=["K0", "Sigma+", "p~"],
    allowed_interaction_types="strong",
)
transitions = filter(
    lambda t: t.states[3].particle.mass > 1.75,
    reaction.transitions,
)
dot = qrules.io.asdot(transitions, collapse_graphs=True, render_final_state_id=False)
graphviz.Source(dot)

This PR allows sorting Particle instances. This is useful later on in #26, when StateTransitions are meant to become frozen and sortable.

Note that ParticleCollection.names now returns a list, sorted using the total_ordering of Particle.

Use

result = qrules.generate_transitions(
    ....
    formalism="canonical-helicity",
)

instead of

result = qrules.generate_transitions(
    ....
    formalism_type="canonical-helicity",
)

Canonical is the most complete set of solutions. The idea is to do the formalism filtering later on, in AmpForm (see #12).

ParticleCollection.names now returns a list, sorted using the total_ordering of Particle.

Simplifies the slightly confusing rules for the allowed_interaction_types argument of qrules.generate_transitions.

Closes #26

A few new frozen classes (State, StateTransition, StateTransitionCollection, and ReactionInfo) now replace the StateTransitionGraph as main interface to the user. StateTransitionGraph is mutable and only for internal usage (see also #25).

The Result class has been removed in favor of ReactionInfo.

Some additional improvements:

• Topology and Topology now have a pretty printer methods (as have StateTransition etc.)
• FrozenDict has gotten ordering (for sorting StateTransitions and Topologys).

Use import qrules instead of import qrules as q, as it's not really needed to abbreviate this module.

See https://docs.pytest.org/en/6.2.x/parametrize.html

Also includes pytest-flake8 fixes

See pytest-flake8

It's not well documented what the labels of an interaction node mean (see for instance this graph visualization).

Rendering of special methods in the API has also been improved.

It doesn't make sense to render node properties for collapsed graphs of state transition graphs without spin projections on the edges, so io.asdot now raises an exception if you try to use render_node=True with collapse_graph=True or strip_spin=True.

Provides a faster way of running all notebooks. Usage:

tox -e testnb
EXECUTE_NB=yes  tox -e testnb  # as if run by Sphinx

or

poytest --nb-test-files  # all tests and notebooks
pytest docs --nb-test-files
pytest docs --nb-test-files  -n auto  # parallel

Rest of the configuration, such as ignoring cell output, is provided through pytest.ini. For further info, see pytest-notebook.

Note that the notebooks are still run through Sphinx on the CI. This is to ensure the rendering on RTD works correctly. pytest-notebook is therefore only installed through the dev extras, not through the test extras.

Only available as pre-commit hook now.

• flake8-use-fstring
• flake8-pytest-style
• flake8-comprehensions

Native VSCode test explorer doesn't work as great. For instance, it's not possible to run all tests within a folder.

From ComPWA/expertsystem#486, but adapted so that ranges are generated: if there is some Particle in the inserted ParticleCollection with spin-1.5, the range will be [0, 0.5, 1, 1.5] (not just [1.5]). Also allows setting the maximum spin in LS-couplings.

Allow setting the maximum angular momentum and spin magnitude through check_reaction_violations() and generate_transitions().

Policy is that enums should be singular, so that the syntax makes more sense, especially in docstrings. For instance:

• "Which InteractionType?"
• "Use InteractionType.WEAK instead of..."

Same with the (already existing) SolvingMode.

Rename particles argument to particle_db in several functions and classes, such as the StateTransitionManager. This naming was introduced for check_reaction_violations (#40) and makes more sense to the reader.

Since 8a3f33c, it is become impossible to run tests through VSCode. Defining testpaths in pytest.ini fixes this. In addition, it removes the last 'non-tox' section from the tox.ini file (see 2d9f620).

Note that this also allows running and debugging doctests from VScode 🎉

Taken from ComPWA/expertsystem#486 and in preparation of #40. The next step (before #40 idea is to deduce default interaction settings from a ParticleCollection (as was initially done in that PR, see ComPWA/expertsystem#486 (comment))

See #3, 35ebed2, 8d4e940, #44, and 8deee77

With the release of pip-tools v6.1.0, pip-compile now correctly handles extras_require. This allows for a big clean-up of the set-up introduced by ComPWA/expertsystem#412.

Advantages:

• Easier for the user and developer! Just run:
  pip install -e .[dev]
  to get started developing,
  pip install -e .[dev] -U
  to try out upgrades, and
  pip install -c .constraints/py3.8.txt -e .[dev] -U
  in case you exactly want to reproduce the dependencies for some commit.
• The upgrade jobs become significantly faster: bit over 1min versus almost 3min
• All requirements, their version domains, and the dependencies between each of the requirement sections can be nicely overseen and maintained within setup.cfg
• Git diffs for pull requests that affect dependencies become easier to oversee
• Less complexity and fewer changes per commit

Since 8a3f33c, it is become impossible to run tests through VSCode. Defining testpaths in pytest.ini fixes this. In addition, it removes the last 'non-tox' section from the tox.ini file (see 2d9f620).

Note that this also allows running and debugging doctests from VScode 🎉