diff --git a/.envrc b/.envrc new file mode 100644 index 00000000..90ca8b1b --- /dev/null +++ b/.envrc @@ -0,0 +1 @@ +source ./.venv/bin/activate diff --git a/.gitattributes b/.gitattributes index a6bfa090..ab9d90c2 100644 --- a/.gitattributes +++ b/.gitattributes @@ -1,18 +1,23 @@ # # Special handling for binary files -# See https://git-scm.com/book/tr/v2/Customizing-Git-Git-Attributes -# Install doc2txt https://sourceforge.net/projects/docx2txt/?source=navbar +# See https://git-scm.com/book/en/v2/Customizing-Git-Git-Attributes # -*.npz binary -*.xz binary -*.zip binary *.bz2 binary +*.dll binary +*.docx binary +*.duckdb binary *.gz binary -*.zip binary *.npy binary -*.docx binary -#*.docx binary diff=word +*.npz binary *.png binary -#*.png diff=exif +*.so binary *.dll binary *.pyd binary +*.sqlite binary +*.nc binary +*.parquet binary +*.xlsx binary +*.xz binary +*.zip binary +# SCM syntax highlighting & preventing 3-way merges +uv.lock merge=binary linguist-language=TOML linguist-generated=true diff --git a/.github/dependabot.yml b/.github/dependabot.yml index 77044fb9..da45c22d 100644 --- a/.github/dependabot.yml +++ b/.github/dependabot.yml @@ -1,50 +1,55 @@ +--- +# To get started with Dependabot version updates, you'll need to specify which +# package ecosystems to update and where the package manifests are located. +# Please see the documentation for all configuration options: +# https://docs.github.com/github/administering-a-repository/configuration-options-for-dependency-updates + version: 2 updates: +- package-ecosystem: github-actions + directory: / # Location of package manifests + schedule: + interval: monthly + labels: + - "ci" + - "github_actions" + - "bot" + groups: # open a single pull-request for all GitHub actions updates + github-actions: + patterns: + - '*' + open-pull-requests-limit: 10 + target-branch: devel + cooldown: + default-days: 7 - - package-ecosystem: pip - directory: "/" - schedule: - interval: daily - labels: - - "kind/dependencies" - - "bot" - open-pull-requests-limit: 20 - target-branch: devel - - - package-ecosystem: "github-actions" - # Workflow files stored in the default location of `.github/workflows` - directory: "/" - schedule: - interval: weekly - day: tuesday - labels: - - "area/ci" - - "github_actions" - - "kind/dependencies" - - "bot" - open-pull-requests-limit: 10 - target-branch: devel +- package-ecosystem: uv + directory: / # Location of package manifests + schedule: + interval: monthly + labels: + - "ci" + - "dependencies" + - "bot" + groups: + python-dependencies: + patterns: + - '*' + open-pull-requests-limit: 10 + target-branch: devel + cooldown: + default-days: 7 - - package-ecosystem: "gitsubmodule" - directory: "/" - schedule: - interval: weekly - day: wednesday - labels: - - "kind/dependencies" - - "bot" - open-pull-requests-limit: 10 - target-branch: devel +- package-ecosystem: "gitsubmodule" + directory: "/" + schedule: + interval: monthly + labels: + - "kind/dependencies" + - "bot" + open-pull-requests-limit: 10 + target-branch: devel + cooldown: + default-days: 7 - - package-ecosystem: "uv" - directory: "/" - schedule: - interval: weekly - day: thursday - labels: - - "area/ci" - - "kind/dependencies" - - "bot" - open-pull-requests-limit: 10 - target-branch: devel diff --git a/.github/workflows/combine-prs.yml b/.github/workflows/combine-prs.yml index 233f0f61..4b84d8a7 100644 --- a/.github/workflows/combine-prs.yml +++ b/.github/workflows/combine-prs.yml @@ -34,7 +34,7 @@ jobs: # Steps represent a sequence of tasks that will be executed as part of the job steps: - - uses: actions/github-script@v7 + - uses: actions/github-script@v9 id: fetch-branch-names name: Fetch branch names with: @@ -100,7 +100,7 @@ jobs: console.log('Combined: ' + combined); return combined # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it - - uses: actions/checkout@v4.1.2 + - uses: actions/checkout@v5 with: fetch-depth: 0 # Creates a branch with other PR branches merged together @@ -126,7 +126,7 @@ jobs: git pull origin $sourcebranches --no-edit git push origin $COMBINE_BRANCH_NAME # Creates a PR with the new combined branch - - uses: actions/github-script@v7 + - uses: actions/github-script@v9 name: Create Combined Pull Request env: PRS_STRING: ${{ steps.fetch-branch-names.outputs.prs-string }} diff --git a/.github/workflows/labeler.yml b/.github/workflows/labeler.yml index 8bcf0169..482ced9c 100644 --- a/.github/workflows/labeler.yml +++ b/.github/workflows/labeler.yml @@ -26,10 +26,10 @@ jobs: runs-on: ubuntu-latest steps: - name: Checkout - uses: actions/checkout@v4 + uses: actions/checkout@v6 - name: Run labeler - uses: crazy-max/ghaction-github-labeler@v5 + uses: crazy-max/ghaction-github-labeler@v6 with: github-token: ${{ secrets.MCKIT_GITHUB_TOKEN }} skip-delete: true diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml index 0dcac891..b1e70308 100644 --- a/.github/workflows/publish.yml +++ b/.github/workflows/publish.yml @@ -22,10 +22,10 @@ jobs: matrix: # ubuntu-20.04 is required to build wheels for older OS (clusters...) os: [ubuntu-20.04, ubuntu-latest, windows-latest] - python-version: ['3.11', '3.12', '3.13'] + python-version: ['3.11', '3.12', '3.13', '3.14'] steps: - name: Check out the repository - uses: actions/checkout@v4 + uses: actions/checkout@v5 with: fetch-depth: 1 submodules: 'true' diff --git a/.github/workflows/release-drafter.yml b/.github/workflows/release-drafter.yml index 5244c3f3..bfa43b0e 100644 --- a/.github/workflows/release-drafter.yml +++ b/.github/workflows/release-drafter.yml @@ -7,6 +7,6 @@ jobs: draft_release: runs-on: ubuntu-latest steps: - - uses: release-drafter/release-drafter@v6 + - uses: release-drafter/release-drafter@v7 env: GITHUB_TOKEN: ${{ secrets.MCKIT_GITHUB_TOKEN }} diff --git a/.github/workflows/stale.yml b/.github/workflows/stale.yml index 6ebfba2d..78e36092 100644 --- a/.github/workflows/stale.yml +++ b/.github/workflows/stale.yml @@ -10,7 +10,7 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/stale@v9 + - uses: actions/stale@v10 with: repo-token: ${{ secrets.MCKIT_GITHUB_TOKEN }} stale-issue-message: 'Stale issue message' diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index a69da7ef..5b5289fe 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -8,6 +8,8 @@ on: - "master" - "devel" - "main" + - "feat/*" + - "pixi-2" paths: - "**.py" - "**.c" @@ -53,10 +55,10 @@ jobs: !contains(github.event.head_commit.message, '[skip_ci]') steps: - name: ✅ Check out the repository - uses: actions/checkout@v4 + uses: actions/checkout@v6 - name: 📦 Install uv - uses: astral-sh/setup-uv@v6 + uses: astral-sh/setup-uv@v7 with: python-version: ${{ env.DEFAULT_PYTHON }} enable-cache: true @@ -66,7 +68,7 @@ jobs: - name: Run pre commit checks run: | - uv run --no-dev --group pre-commit pre-commit run -a + uv run --no-dev --group pre-commit pre-commit run --show-diff-on-failure --color=always --all-files # typing: @@ -75,7 +77,7 @@ jobs: # !contains(github.event.head_commit.message, '[skip_ci]') # steps: # - name: ✅ Check out the repository - # uses: actions/checkout@v4 + # uses: actions/checkout@v5 # - name: 📦 Install uv # uses: astral-sh/setup-uv@v6 @@ -100,13 +102,13 @@ jobs: runs-on: ubuntu-latest steps: - name: ✅ Check out the repository - uses: actions/checkout@v4 + uses: actions/checkout@v5 with: fetch-depth: 1 submodules: 'true' - name: 📦 Install uv - uses: astral-sh/setup-uv@v6 + uses: astral-sh/setup-uv@v7 with: python-version: ${{ env.DEFAULT_PYTHON }} enable-cache: true @@ -125,13 +127,12 @@ jobs: tests: name: "Python ${{ matrix.python-version }} on ${{ matrix.os }}" - needs: [lint, docs] runs-on: ${{ matrix.os }} strategy: fail-fast: false matrix: os: [ ubuntu-latest ] - python-version: [ '3.11', '3.12', '3.13' ] + python-version: [ '3.11', '3.12', '3.13', '3.14' ] include: - os: windows-latest python-version: '3.13' # Windows runner is too slow @@ -139,13 +140,13 @@ jobs: steps: - name: ✅ Checkout repository - uses: actions/checkout@v4 + uses: actions/checkout@v6 with: fetch-depth: 1 submodules: 'true' - name: 📦 Install uv - uses: astral-sh/setup-uv@v6 + uses: astral-sh/setup-uv@v7 with: python-version: ${{ matrix.python-version }} enable-cache: true @@ -157,49 +158,11 @@ jobs: run: uv sync --all-extras --no-dev --group test - name: ✅ Run tests - run: uv run coverage run --parallel -m pytest - - - name: 🔃 Upload coverage data - uses: actions/upload-artifact@v4 - with: - name: coverage-data-${{ runner.os }}-${{ matrix.python-version }} - path: ".coverage.*" - include-hidden-files: true - if-no-files-found: error - - coverage: - runs-on: ubuntu-latest - needs: tests - steps: - - - name: ✅ Check out the repository - uses: actions/checkout@v4 - - - name: 📦 Install uv - uses: astral-sh/setup-uv@v6 - with: - python-version: ${{ env.DEFAULT_PYTHON }} - enable-cache: true - cache-dependency-glob: | - **/uv.lock - **/pyproject.toml - - - name: 🔃 Download coverage data - uses: actions/download-artifact@v4 - with: - pattern: coverage-data-* - merge-multiple: true - - - name: 📦 Combine coverage data and display human readable report - run: | - uv run --no-dev --group coverage coverage combine - uv run --no-dev --group coverage coverage report - - - name: 📦 Create coverage report run: | - uv run --no-dev --group coverage coverage xml + uv run --group test pytest --cov --cov-report term-missing:skip-covered --cov-report xml - name: 📤 Upload coverage report - uses: codecov/codecov-action@v5 + uses: codecov/codecov-action@v7 with: + files: coverage.xml token: ${{ secrets.CODECOV_TOKEN }} diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 3ad3ee3c..3de28a88 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -21,7 +21,7 @@ repos: # Standard hooks - repo: https://github.com/pre-commit/pre-commit-hooks - rev: "v5.0.0" + rev: "v6.0.0" hooks: - id: check-added-large-files exclude: uv.lock @@ -52,23 +52,21 @@ repos: - id: pretty-format-json args: [--autofix, --no-ensure-ascii, --no-sort-keys] exclude: data|\.ipynb$ - - id: requirements-txt-fixer - repo: https://github.com/fredrikaverpil/creosote - rev: v4.0.3 + rev: v5.2.0 hooks: - id: creosote - repo: https://github.com/astral-sh/uv-pre-commit - rev: 0.7.19 + rev: 0.11.15 hooks: - id: uv-lock - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.12.2 + rev: v0.15.14 hooks: - # linter - id: ruff-check exclude: ^notebooks|^extern # formatter @@ -78,7 +76,7 @@ repos: # Check for common shell mistakes - repo: https://github.com/shellcheck-py/shellcheck-py - rev: "v0.10.0.1" + rev: "v0.11.0.1" hooks: - id: shellcheck args: [ --external-sources ] @@ -96,7 +94,7 @@ repos: # Clang format the codebase automatically - repo: https://github.com/pre-commit/mirrors-clang-format - rev: "v20.1.4" + rev: "v22.1.5" hooks: - id: clang-format types_or: [c++, c, cuda] diff --git a/benchmarks/conftest.py b/benchmarks/conftest.py index 897450cd..cd77e15f 100644 --- a/benchmarks/conftest.py +++ b/benchmarks/conftest.py @@ -7,8 +7,6 @@ import pytest -from mckit.constants import MCNP_ENCODING - if TYPE_CHECKING: from collections.abc import Callable @@ -30,4 +28,4 @@ def clite_text(data) -> str: Loaded text of a C-lite model. """ with ZipFile(data("data/4M.zip")) as data_archive: - return data_archive.read("clite.i").decode(encoding=MCNP_ENCODING) + return data_archive.read("clite.i").decode(encoding="utf8") diff --git a/benchmarks/test_shape.py b/benchmarks/test_shape.py index 27e6850f..7488fb7a 100644 --- a/benchmarks/test_shape.py +++ b/benchmarks/test_shape.py @@ -10,7 +10,6 @@ from mckit import Shape, Universe from mckit.box import Box -from mckit.constants import MCNP_ENCODING from mckit.parser import from_text from mckit.utils import path_resolver @@ -20,7 +19,7 @@ data = path_resolver("benchmarks") with ZipFile(data("data/4M.zip")) as data_archive: - clite_text = data_archive.read("clite.i").decode(encoding=MCNP_ENCODING) + clite_text = data_archive.read("clite.i").decode(encoding="utf8") clite_model = from_text(clite_text).universe diff --git a/docker-fix b/docker-fix new file mode 100755 index 00000000..fd279c00 --- /dev/null +++ b/docker-fix @@ -0,0 +1,11 @@ +#!/bin/bash + +# Mount your current directory (containing the dist/ folder) into the container +docker run --rm -v $(pwd):/io quay.io/pypa/manylinux_2_28_x86_64 bash -c " + # Navigate to the mounted directory + cd /io + export LD_LIBRARY_PATH=.venv/lib + uv build + # Repair the wheel: looks in dist/, outputs to wheelhouse/ + auditwheel repair dist/mckit-*linux_x86_64.whl +" diff --git a/docs/source/conf.py b/docs/source/conf.py index b69d4022..050f5239 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -20,7 +20,7 @@ from typing import Dict, List -import mckit +# import mckit # -- Project information ----------------------------------------------------- @@ -35,9 +35,11 @@ # built documents. # # The short X.Y version. -version = mckit.__version__.rsplit(".", maxsplit=1)[0] +# version = mckit.__version__.rsplit(".", maxsplit=1)[0] +version="0.8.7" # The full version, including alpha/beta/rc tags. -release = mckit.__version__ +# release = mckit.__version__ +release = version # -- General configuration --------------------------------------------------- diff --git a/extern/nlopt b/extern/nlopt index a75f3d99..88c424d4 160000 --- a/extern/nlopt +++ b/extern/nlopt @@ -1 +1 @@ -Subproject commit a75f3d99785a3f99ecdf851c8f32718466907017 +Subproject commit 88c424d4f458412787df96fcc95218acbca224fd diff --git a/justfile b/justfile index 0412d711..15c51deb 100644 --- a/justfile +++ b/justfile @@ -1,32 +1,56 @@ +# Examples: msgspec +# Disable showing recipe lines before execution. + +set quiet + +# Enable unstable features. + +set unstable + +# Configure the shell for Windows. + +set windows-shell := ["pwsh.exe", "-NoProfile", "-NonInteractive", "-ExecutionPolicy", "Bypass", "-Command"] + +# We don't want to install any dev dependencies by default. +# export UV_NO_DEV := "true" + alias t := test alias c := check -set dotenv-load := true + +set dotenv-load default_python := "3.13" TITLE := `uv version` VERSION := `uv version --short` - log := "warn" - export JUST_LOG := log -default: - @just --list +@_default: + just --list + +[group('dev')] +@version: + uv version # create venv, if not exists -[group: 'dev'] -venv: - [ -d .venv ] || uv venv --python {{default_python}} --seed +[group('dev')] +@venv: + [ -d .venv ] || uv venv --python {{ default_python }} --seed # build package -[group: 'dev'] -build: venv - git submodule update --init --recursive --depth 1 - uv build +[group('dev')] +@build: venv + git submodule update --init --recursive --depth 1 + uv build + +# check distribution with twine +[group('dev')] +@check-dist: build + uvx twine check dist/* # clean reproducible files -[group: 'dev'] -clean: +[group('dev')] +@clean: #!/bin/bash dirs_to_clean=( ".benchmarks" @@ -59,105 +83,148 @@ clean: # install package -[group: 'dev'] -install: build - uv sync +[group('dev')] +@install: build + uv sync # clean build -[group: 'dev'] -reinstall: clean install - +[group('dev')] +@reinstall: clean install # Check style and test -[group: 'dev'] -check: pre-commit test +[group('dev')] +@check: pre-commit test -[group: 'dev'] +# Check style includeing mypy and pylint and test +[group('dev')] +@check-full: check mypy pylint pyright + +# Bump project version +[group('dev')] @bump *args="patch": - uv version --bump {{args}} - git commit -m "bump: version $(uv version)" pyproject.toml uv.lock + uv version --bump {{ args }} + git commit -m "bump: version $(uv version)" pyproject.toml uv.lock + +# update tools +[group('dev')] +@up-tools: + pre-commit autoupdate + uv self update + pre-commit run -a # update dependencies -[group: 'dev'] +[group('dev')] @up: - pre-commit autoupdate - uv self update + uv sync --upgrade --all-extras + pre-commit run -a + pytest -# ruff check and format -[group: 'dev'] -@ruff: - ruff check --fix src tests - ruff format src tests +# show dependencies +[group('dev')] +@tree *args: + uv tree --outdated {{ args }} + +# run pyupgrade +[group('dev')] +@pyupgrade *args="--py314-plus": + uvx pyupgrade {{ args }} # presumably, code is updated by ruff, just to check occasionally # test up to the first fail -[group: 'test'] -test-ff *args: - @pytest -vv -x {{args}} +[group('test')] +@test-ff *args: + uv run --no-dev --group test pytest -x {{ args }} # test with clean cache -[group: 'test'] -test-cache-clear *args: - @pytest -vv --emoji --cache-clear {{args}} +[group('test')] +@test-cache-clear *args: + uv run --no-dev --group test pytest --cache-clear {{ args }} # test fast -[group: 'test'] -test-fast *args: - @pytest -vv --emoji -m "not slow" {{args}} +[group('test')] +@test-fast *args: + uv run --no-dev --group test pytest -m "not slow" {{ args }} # run all the tests -[group: 'test'] -test *args: - @pytest -vv --emoji {{args}} +[group('test')] +@test *args: + uv run --no-dev --group test pytest {{ args }} -# run documentation tests -[group: 'test'] -xdoctest *args: - @uv run --no-dev --group test --group xdoctest python -m xdoctest --silent --style google -c all src tools {{args}} +# run documentation tests +[group('test')] +@xdoctest *args: + @uv run --no-dev --group test --group xdoctest python -m xdoctest --silent --style google -c all -m mckit {{args}} # create coverage data -[group: 'test'] -coverage: - @uv run --no-dev --group coverage coverage run --parallel -m pytest - @uv run --no-dev --group coverage coverage combine - @uv run --no-dev --group coverage coverage report --show-missing --skip-covered +[group('test')] +@coverage: + uv run --no-dev --group test pytest --cov --cov-report=term-missing:skip-covered # coverage to html -[group: 'test'] -coverage-html: coverage - @uv run --no-dev --group coverage coverage html +[group('test')] +@coverage-html: + uv run --no-dev --group test pytest --cov --cov-report html:htmlcov + open htmlcov/index.html # check correct typing at runtime -[group: 'test'] +[group('test')] typeguard *args: - @uv run --no-dev --group test --group typeguard pytest -vv --emoji --typeguard-packages=src {{args}} + @uv run --no-dev --group test --group typeguard pytest --typeguard-packages=src {{ args }} +# ruff check and format +[group('style')] +@ruff: + ruff check --fix src tests + ruff format src tests # Run pre-commit on all files -[group: 'lint'] -pre-commit: - @uv run --no-dev --group pre-commit pre-commit run -a +[group('style')] +@pre-commit: + uv run --no-dev --group pre-commit pre-commit run --show-diff-on-failure --color=always --all-files # Run mypy -[group: 'lint'] -mypy: - @uv run --no-dev --group mypy mypy src docs/source/conf.py +[group('style')] +@mypy: + uv run --no-dev --group mypy mypy src tests docs/source/conf.py + +[group('style')] +@pylint: + uv run --no-dev --group lint pylint --recursive=y --output-format colorized src tests + +[group('style')] +@pyright: + uv run --no-dev --group pyright pyright src tests + +# Lint with ty +[group('style')] +@ty: + uv run --no-dev --group style ty check + +# Draw UML diagrams +[group('style')] +@pyreverse: + uv run --no-dev --group lint pyreverse --project mckit-nuclides --colorized --output puml --output-directory .pyreverse --ignore data --source-roots src/**/*.py + +# Find code duplicates +[group('style')] +@symilar: + uv run --no-dev --group lint symilar src/**/*.py # Check rst-texts -[group: 'docs'] -rstcheck: - @rstcheck *.rst docs/source/*.rst +[group('docs')] +@rstcheck: + uv run --no-dev --group docs rstcheck --recursive *.rst docs # build documentation -[group: 'docs'] -docs-build: # rstcheck - @uv run --no-dev --group docs sphinx-build docs/source docs/_build +[group('docs')] +@docs-build: # rstcheck + uv run --no-dev --group docs sphinx-build docs/source docs/_build # browse and edit documentation with auto build -docs: - @uv run --no-dev --group docs --group docs-auto sphinx-autobuild --open-browser docs/source docs/_build - +[group('docs')] +@docs: + uv run --no-dev --group docs --group docs sphinx-autobuild --open-browser docs/source docs/_build # modules required to debug setup.py [group: 'debug-setup'] @scbld: - pip install cmake scikit-build mkl-devel numpy ninja + uv pip install cmake scikit-build mkl-devel numpy ninja diff --git a/profiles/mcnp_reading.py b/profiles/mcnp_reading.py index 493bdbad..589420f7 100644 --- a/profiles/mcnp_reading.py +++ b/profiles/mcnp_reading.py @@ -9,7 +9,6 @@ from zipfile import ZipFile -from mckit.constants import MCNP_ENCODING from mckit.parser.mcnp_input_sly_parser import from_text from mckit.utils._resource import path_resolver @@ -18,7 +17,7 @@ data_filename_resolver = path_resolver("benchmarks") with ZipFile(data_filename_resolver("data/4M.zip")) as data_archive: - CLITE_TEXT = data_archive.read("clite.i").decode(encoding=MCNP_ENCODING) + CLITE_TEXT = data_archive.read("clite.i").decode(encoding="utf8") def test_sly_mcnp_reading() -> None: diff --git a/pylintrc.toml b/pylintrc.toml index 35d8c301..2b502b66 100644 --- a/pylintrc.toml +++ b/pylintrc.toml @@ -15,7 +15,7 @@ # A comma-separated list of package or module names from where C extensions may # be loaded. Extensions are loading into the active Python interpreter and may # run arbitrary code. -extension-pkg-allow-list = ["duckdb", "mckit"] +extension-pkg-allow-list = [ "duckdb", "mckit" ] # A comma-separated list of package or module names from where C extensions may # be loaded. Extensions are loading into the active Python interpreter and may @@ -59,6 +59,7 @@ extension-pkg-allow-list = ["duckdb", "mckit"] # Python code to execute, usually for sys.path manipulation such as # pygtk.require(). # init-hook = +# init-hook='import sys, os; sys.path.insert(0, os.path.join(sys.prefix, sys.platlibdir, f"python{sys.version_info.major}.{sys.version_info.minor}", "site-packages"))' # Use multiple processes to speed up Pylint. Specifying 0 will auto-detect the # number of processors available to use, and will cap the count on Windows to @@ -83,7 +84,7 @@ jobs = 0 # Minimum Python version to use for version dependent checks. Will default to the # version used to run pylint. -#py-version = "3.11" +#py-version = "3.13" # Discover python modules and packages in the file system subtree. # recursive = @@ -345,7 +346,7 @@ max-line-length = 120 # known-standard-library = # Force import order to recognize a module as part of a third party library. -known-third-party = ["enchant", "pytest"] +known-third-party = [ "enchant", "pytest" ] # Couples of modules and preferred modules, separated by a comma. # preferred-modules = diff --git a/pyproject.toml b/pyproject.toml index 426f6135..8e79897c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,16 +1,10 @@ [build-system] -requires = [ - "scikit-build-core>=0.10", - # "cmake>=3.18", - # "ninja; platform_system!='Windows'", - "numpy", - "mkl-devel >= 2025.2.0", -] +requires = ["scikit-build-core>=0.10", "numpy", "mkl-devel >= 2025.2.0"] build-backend = "scikit_build_core.build" [project] name = "mckit" -version = "0.8.6" +version = "0.8.8.dev1" requires-python = ">=3.11 " # connectorx==0.4.3 prevents <4 description = "Tools to process MCNP models and results" authors = [{ name = "rrn" }] @@ -37,8 +31,8 @@ dependencies = [ "attrs (>=21.2.0)", "click (>=8.0.1)", "loguru (>=0.6.0)", - "intel-cmplr-lib-ur == 2025.0.4", # next version 2025.0.5 is for windows only TODO check for updates - "mkl-devel (>=2025.1.0)", + "intel-cmplr-lib-ur == 2025.2.1", # next version 2025.0.5 is for windows only TODO check for updates + "mkl-devel (>=2025.2.0)", "numpy (>=2.3.1)", "ply (>=3.11)", "python-dotenv (>=1.1.1)", @@ -62,7 +56,9 @@ mckit = "mckit.cli.runner:mckit" minimum-version = "build-system.requires" build-dir = "build/{wheel_tag}" build.verbose = false +# wheel.build-tag = "manylinux_2_34_x86_64" logging.level = "INFO" +sdist.exclude = [".unclassified", "adhoc", "ctests"] [tool.cibuildwheel] @@ -89,9 +85,8 @@ test = [ "pytest>=8.4.1", "pytest-cov>=6.2.1", "pytest-mock>=3.14.0", - "pytest-durations>=1.5.2", - "pytest-emoji>=0.2.0", "pytest-benchmark>=5.1.0", + "pytest-xdist>=3.8.0", { include-group = "coverage" }, { include-group = "xdoctest" }, ] @@ -99,8 +94,8 @@ coverage = ["coverage[toml]>=7.9.2"] xdoctest = ["xdoctest[colors]>=1.2.0"] typeguard = ["typeguard>=4.1.5"] mypy = [ - "mypy>=1.2.0", - "pep8-naming>=0.12.1", + "mypy>=1.17.0", + "pep8-naming>=0.15.1", "types-setuptools>=80.9.0.20250529", ] docs = [ @@ -109,8 +104,12 @@ docs = [ "sphinx-click>=6.0.0", ] docs_auto = ["sphinx-autobuild>=2024.10.3", { include-group = "docs" }] -ruff = ["ruff>=0.0.259"] +ruff = ["ruff>=0.12.3"] analyze = ["jupyterlab>=4.2.5", "jupytext>=1.16.4"] +lint = [ + "pylint>=4.0.6", + "pylint-per-file-ignores>=3.2.1", +] [tool.pytest.ini_options] minversion = "8.4" @@ -130,6 +129,7 @@ wrk ''' python_functions = "test_* profile_*" addopts = ''' +-n=logical -ra -q --tb=short @@ -142,8 +142,6 @@ addopts = ''' --benchmark-storage=.cache/benchmarks --benchmark-autosave --benchmark-group-by=name,fullname ---pytest-durations-min=1 ---pytest-resultlog="pytest-result.log" ''' doctest_optionflags = "ELLIPSIS NORMALIZE_WHITESPACE IGNORE_EXCEPTION_DETAIL ALLOW_UNICODE ALLOW_BYTES NUMBER" testpaths = ["tests", "src"] @@ -169,36 +167,33 @@ log_date_format = "%Y-%m-%d %H:%M:%S" quiet = true options = "" +[tool.coverage] [tool.coverage.paths] -source = ["src", ".nox/*/site-packages"] - -[tool.coverage.run] -branch = true -source = ["src"] -omit = ["*_tab.py", "**/__init__.py", "tools/*.py"] - +source = [ "src" ] [tool.coverage.report] -show_missing = true -skip_covered = true -fail_under = 90 # TODO dvp: increase limit to 100 with code maturing -omit = ["*_tab.py", "**/__init__.py"] -# Regexes for lines to exclude from consideration exclude_lines = [ - # Have to re-enable the standard pragma - "pragma: no cover", - # Don't complain about missing debug-only code: - "def __repr__", - "if self.debug", - # Don't complain if tests don't hit defensive assertion code: - "raise AssertionError", - "raise NotImplementedError", - # Don't complain if non-runnable code isn't run: - "if 0:", - "if __name__ == .__main__.:", - "if TYPE_CHECKING:", + # Don't complain about missing debug-only code: + "def __repr__", + "if __name__ == .__main__.:", + "if 0:", + "if TYPE_CHECKING:", + "if self.debug", + "pragma: no cover", + "raise AssertionError", + "raise NotImplementedError", ] +fail_under = 90 # TODO dvp: increase limit to 100 with code maturing ignore_errors = true +omit = [ "**/__init__.py", "**/types.py", "*_tab.py" ] +show_missing = true +skip_covered = true sort = "Cover" +[tool.coverage.run] +branch = true +omit = [ "**/__init__.py", "*_tab.py", "tools/*.py" ] +parallel = true +source = [ "src" ] + # MyPy config diff --git a/src/mckit/_init_dynamic_libraries.py b/src/mckit/_init_dynamic_libraries.py index 3a19d01f..b37b23be 100644 --- a/src/mckit/_init_dynamic_libraries.py +++ b/src/mckit/_init_dynamic_libraries.py @@ -5,7 +5,7 @@ from __future__ import annotations -from typing import TYPE_CHECKING +from typing import TYPE_CHECKING, Final import os import sys @@ -31,6 +31,16 @@ def _library_base_name(_lib_name: str) -> str: SUFFIX = ".dll" if WIN else ".dylib" if MACOS else ".so" + +def get_max_shared_object_version_to_check() -> int: + v = os.getenv("MCKIT_MAX_SO_VERSION_TO_CHECK") + if v: + return int(v) + return 3 + + +MAX_SO_VERSION: Final[int] = get_max_shared_object_version_to_check() + if WIN or MACOS: def _combine_version_and_suffix(version: int, suffix: str) -> str: @@ -42,7 +52,7 @@ def _combine_version_and_suffix(version: int, suffix: str) -> str: return f"{suffix}.{version}" # .so.2 -def _iterate_suffixes_with_version(max_version: int = 2) -> Generator[str]: +def _iterate_suffixes_with_version(max_version: int = MAX_SO_VERSION) -> Generator[str]: while max_version >= 0: yield _combine_version_and_suffix(max_version, SUFFIX) max_version -= 1 @@ -60,7 +70,7 @@ def _iterate_suffixes_with_version(max_version: int = 2) -> Generator[str]: SHARED_LIBRARY_DIRECTORIES.append(Path(sys.prefix, "lib")) -def _preload_library(lib_name: str, max_version: int = 2) -> None: +def _preload_library(lib_name: str, max_version: int = MAX_SO_VERSION) -> None: for d in SHARED_LIBRARY_DIRECTORIES: for s in _iterate_suffixes_with_version(max_version): p = Path(d, _library_base_name(lib_name)).with_suffix(s) diff --git a/src/mckit/cli/commands/common.py b/src/mckit/cli/commands/common.py index cc18d46c..c14646a6 100644 --- a/src/mckit/cli/commands/common.py +++ b/src/mckit/cli/commands/common.py @@ -6,7 +6,6 @@ import click from mckit.cli._logging import logger -from mckit.constants import MCNP_ENCODING from mckit.universe import Universe, UniverseAnalyser # This is the encoding swallowing non ascii (neither unicode) symbols happening in MCNP models code @@ -23,11 +22,11 @@ def check_if_path_exists(path: str | Path, override: bool): raise click.UsageError(errmsg) -def save_mcnp(model: Universe, path: str | Path, override: bool): +def save_mcnp(model: Universe, path: str | Path, override: bool, encoding="utf8"): check_if_path_exists(path, override) analyser = UniverseAnalyser(model) if analyser.we_are_all_clear(): - model.save(path, encoding=MCNP_ENCODING, check_clashes=False) + model.save(path, encoding=encoding, check_clashes=False) else: out = StringIO() out.write("Duplicates found:\n") diff --git a/src/mckit/cli/commands/compose.py b/src/mckit/cli/commands/compose.py index cfe5e8e8..50119b98 100644 --- a/src/mckit/cli/commands/compose.py +++ b/src/mckit/cli/commands/compose.py @@ -24,7 +24,7 @@ from .common import save_mcnp -def compose(output, fill_descriptor_path, source, override): +def compose(output, fill_descriptor_path, source, override, encoding: str = "utf8"): logger.info("Loading model from {s}", s=source) parse_result: ParseResult = from_file(source) envelopes = parse_result.universe @@ -35,7 +35,7 @@ def compose(output, fill_descriptor_path, source, override): with fill_descriptor_path.open("rb") as fid: fill_descriptor = tomllib.load(fid) - universes = load_universes(fill_descriptor, universes_dir) + universes = load_universes(fill_descriptor, universes_dir, encoding=encoding) named_transformations = load_named_transformations(fill_descriptor) comps = {} @@ -83,11 +83,11 @@ def compose(output, fill_descriptor_path, source, override): raise NotImplementedError( f"Unexpected type of transformation parameter {type(transformation)}" ) - save_mcnp(envelopes, output, override) + save_mcnp(envelopes, output, override, encoding=encoding) def load_universes( - fill_descriptor, universes_dir + fill_descriptor, universes_dir, encoding: str ) -> dict[int, tuple[mk.Universe, int | list[float]]]: filler_path_map: dict[int, tuple[Path, mk.Universe]] = {} cell_filler_map: dict[int, tuple[mk.Universe, int | list[float]]] = {} @@ -116,7 +116,7 @@ def load_universes( if not load_path.exists(): raise FileNotFoundError(universe_path) logger.info("Loading file {u}", u=load_path) - parse_result: ParseResult = from_file(load_path) + parse_result: ParseResult = from_file(load_path, encoding=encoding) universe = parse_result.universe universe.rename(name=universe_name) filler_path_map[universe_name] = (universe_path, universe) diff --git a/src/mckit/cli/commands/decompose.py b/src/mckit/cli/commands/decompose.py index 3a6b5495..da20c187 100644 --- a/src/mckit/cli/commands/decompose.py +++ b/src/mckit/cli/commands/decompose.py @@ -34,15 +34,16 @@ def move_universe_attribute_to_comments(universe): cell.options["comment"] = comm -def decompose(output, fill_descriptor_path, source, override): +def decompose(output, fill_descriptor_path, source, override, encoding): logger.info("Running mckit decompose") logger.debug("Working dir {}", Path().absolute()) logger.info("Processing {}", source) logger.debug("Loading model from {}", source) + logger.debug("Input encoding {}", encoding) source = Path(source) output = get_default_output_directory(source) if output is None else Path(output) output.mkdir(parents=True, exist_ok=True) - parse_result: ParseResult = from_file(source) + parse_result: ParseResult = from_file(source, encoding=encoding) model: Universe = parse_result.universe named_transformations = list(collect_transformations(model)) already_processed_universes = set() @@ -50,7 +51,7 @@ def decompose(output, fill_descriptor_path, source, override): fill_descriptor = { "title": parse_result.title, "source": source.name, - "comment": model.comment if model.comment else "", + "comment": model.comment or "", "created": datetime.now(), } for c in model: @@ -83,7 +84,7 @@ def decompose(output, fill_descriptor_path, source, override): fill_descriptor[str(c.name())] = descriptor if universe_name not in already_processed_universes: move_universe_attribute_to_comments(universe) - save_mcnp(universe, output / fn, override) + save_mcnp(universe, output / fn, override, encoding=encoding) logger.debug("The universe {} has been saved to {}", universe_name, fn) already_processed_universes.add(universe_name) diff --git a/src/mckit/cli/commands/split.py b/src/mckit/cli/commands/split.py index a52093ed..2f23b450 100644 --- a/src/mckit/cli/commands/split.py +++ b/src/mckit/cli/commands/split.py @@ -13,7 +13,6 @@ import mckit.parser.mcnp_section_parser as sp from mckit.cli._logging import logger -from mckit.constants import MCNP_ENCODING from .common import check_if_path_exists @@ -21,30 +20,42 @@ INNER_LINE = "-" * 40 -def print_text(text: str, output_dir: Path, section_file_name: str, override: bool) -> None: +def print_text( + text: str, output_dir: Path, section_file_name: str, override: bool, encoding: str = "utf8" +) -> None: if text: out = output_dir / section_file_name check_if_path_exists(out, override) - out.write_text(text, encoding=MCNP_ENCODING) + out.write_text(text, encoding=encoding) def print_cards( - cards: Iterable[sp.Card], output_dir: Path, section_file_name: str, override: bool + cards: Iterable[sp.Card], + output_dir: Path, + section_file_name: str, + override: bool, + encoding: str = "utf8", ) -> None: if cards: out = output_dir / section_file_name check_if_path_exists(out, override) - with out.open("w", encoding=MCNP_ENCODING) as fid: + with out.open("w", encoding=encoding) as fid: for card in cards: print(card.text, file=fid) -def split(output_dir: Path, mcnp_file_name: str | Path, override: bool, separators=False) -> None: +def split( + output_dir: Path, + mcnp_file_name: str | Path, + override: bool, + separators=False, + encoding: str = "utf8", +) -> None: logger.debug("Splitting model from {}", mcnp_file_name) if isinstance(mcnp_file_name, str): mcnp_file_name = Path(mcnp_file_name) assert output_dir.is_dir() - with mcnp_file_name.open(encoding=MCNP_ENCODING) as fid: + with mcnp_file_name.open(encoding=encoding) as fid: sections: sp.InputSections = sp.parse_sections(fid) print_text(sections.title, output_dir, "title.txt", override) print_cards(sections.cell_cards, output_dir, "cells.txt", override) @@ -59,10 +70,10 @@ def split(output_dir: Path, mcnp_file_name: str | Path, override: bool, separato print_text(sections.remainder, output_dir, "remainder.txt", override) logger.debug("The parts of %s are saved to {}", mcnp_file_name, output_dir) if separators: - write_separators(output_dir, mcnp_file_name.stem) + write_separators(output_dir, mcnp_file_name.stem, encoding=encoding) -def write_separators(output: Path, model: str) -> None: +def write_separators(output: Path, model: str, encoding: str = "utf8") -> None: for section in ["cells", "surfaces", "materials", "transformations", "tallies"]: for start_end in ["start", "end"]: if start_end == "start": @@ -81,6 +92,6 @@ def write_separators(output: Path, model: str) -> None: "c\n" ) path: Path = output / f"{section}_{start_end}.txt" - path.write_text(text, encoding=MCNP_ENCODING) + path.write_text(text, encoding=encoding) path = output / "new_line.txt" path.write_text("\n") diff --git a/src/mckit/cli/runner.py b/src/mckit/cli/runner.py index badea0bf..72f0cfe8 100644 --- a/src/mckit/cli/runner.py +++ b/src/mckit/cli/runner.py @@ -12,7 +12,6 @@ from mckit.cli._logging import init_logger, logger from mckit.cli.commands import do_check, do_compose, do_decompose, do_split, do_transform from mckit.cli.commands.common import get_default_output_directory -from mckit.utils import MCNP_ENCODING NAME = meta.__title__ VERSION = meta.__version__ @@ -28,8 +27,13 @@ @click.option("--verbose/--no-verbose", default=False, help="Log everything") @click.option("--quiet/--no-quiet", default=False, help="Log only WARNINGS and above") @click.option("--logfile", default=None, help="File to log to") +@click.option( + "--input-encoding", + default="utf8", + help="Input file encoding: utf8 for GEOUNED, cp1251 for SuperMC", +) @click.version_option(VERSION, prog_name=NAME) -def mckit(verbose: bool, quiet: bool, logfile: str, override: bool) -> None: +def mckit(verbose: bool, quiet: bool, logfile: str, override: bool, input_encoding: str) -> None: # """MCKIT command line utility.""" init_logger(logfile, quiet, verbose) # @@ -39,6 +43,7 @@ def mckit(verbose: bool, quiet: bool, logfile: str, override: bool) -> None: # obj = ctx.ensure_object(dict) # obj["DEBUG"] = debug context["OVERRIDE"] = override + context["ENCODING"] = input_encoding @mckit.command() @@ -52,7 +57,7 @@ def mckit(verbose: bool, quiet: bool, logfile: str, override: bool) -> None: @click.argument("source", metavar="", type=click.Path(exists=True), nargs=1, required=True) def decompose(output, fill_descriptor, source): """Separate an MCNP model to envelopes and filling universes.""" - return do_decompose(output, fill_descriptor, source, context["OVERRIDE"]) + return do_decompose(output, fill_descriptor, source, context["OVERRIDE"], context["ENCODING"]) @mckit.command() @@ -73,7 +78,7 @@ def compose(output, fill_descriptor, source): source=source, fill_descriptor=fill_descriptor, ) - return do_compose(output, fill_descriptor, source, context["OVERRIDE"]) + return do_compose(output, fill_descriptor, source, context["OVERRIDE"], context["ENCODING"]) @mckit.command() @@ -91,12 +96,12 @@ def split(output, source, separators): logger.info("Running mckit split") logger.debug("Working dir {}", Path().absolute()) logger.info('Splitting "{source}" to directory "{output}"', source=source, output=output) - return do_split(output, source, context["OVERRIDE"], separators) + return do_split(output, source, context["OVERRIDE"], separators, context["ENCODING"]) # noinspection PyCompatibility @contextmanager -def resolve_output(output, exist_ok=False, encoding=MCNP_ENCODING): +def resolve_output(output, exist_ok=False, encoding="utf8"): if output: output = Path(output) if exist_ok or not output.exists(): @@ -129,16 +134,16 @@ def resolve_output(output, exist_ok=False, encoding=MCNP_ENCODING): metavar="", type=click.Path(exists=False), required=False, - default=MCNP_ENCODING, - help=f"Encoding to read parts (default:{MCNP_ENCODING})", + default="utf8", + help="Encoding to read parts (default: utf8)", ) @click.option( "--output-encoding", metavar="", type=click.Path(exists=False), required=False, - default=MCNP_ENCODING, - help=f"Encoding to write output (default:{MCNP_ENCODING})", + default="utf8", + help="Encoding to write output (default:utf8)", ) @click.argument("parts", metavar="", type=click.Path(exists=True), nargs=-1, required=True) def concat(output, parts_encoding, output_encoding, parts): diff --git a/src/mckit/constants.py b/src/mckit/constants.py index 5213a3a3..7ed79677 100644 --- a/src/mckit/constants.py +++ b/src/mckit/constants.py @@ -7,7 +7,6 @@ __all__ = [ "DROP_OPTIONS", "FLOAT_TOLERANCE", - "MCNP_ENCODING", "MIN_BOX_VOLUME", "RESOLUTION", ] @@ -19,6 +18,4 @@ FLOAT_TOLERANCE = 1.0e-12 -MCNP_ENCODING = "cp1251" - DROP_OPTIONS = frozenset(["original", "transform", "comment", "trailing_comment", "comment_above"]) diff --git a/src/mckit/parser/common/utils.py b/src/mckit/parser/common/utils.py index 757173d8..2c66f7e3 100644 --- a/src/mckit/parser/common/utils.py +++ b/src/mckit/parser/common/utils.py @@ -82,7 +82,7 @@ def add_trailing_to_previous_item(): res_comments = {k: tuple(v) for k, v in comments} if comments else None - return "\n".join(cleaned_text), res_comments, trailing_comment if trailing_comment else None + return "\n".join(cleaned_text), res_comments, trailing_comment or None class ParseError(ValueError): diff --git a/src/mckit/parser/mcnp_input_sly_parser.py b/src/mckit/parser/mcnp_input_sly_parser.py index 3013b86c..8045a154 100644 --- a/src/mckit/parser/mcnp_input_sly_parser.py +++ b/src/mckit/parser/mcnp_input_sly_parser.py @@ -11,7 +11,6 @@ from attr import attrib, attrs from mckit.card import Card -from mckit.constants import MCNP_ENCODING from mckit.parser.cell_parser import Body from mckit.parser.cell_parser import parse as parse_cell from mckit.parser.common import ( @@ -53,10 +52,10 @@ def title(self): return self.sections.title -def from_file(path: str | Path) -> ParseResult: +def from_file(path: str | Path, encoding="utf8") -> ParseResult: if isinstance(path, str): path = Path(path) - with path.open("r", encoding=MCNP_ENCODING) as fid: + with path.open("r", encoding=encoding) as fid: return from_stream(fid) @@ -71,7 +70,7 @@ def from_text(text: str) -> ParseResult: # fmt: off text_compositions, text_transformations, _1, _2, _3 = distribute_cards( sections.data_cards - ) # type: list[TextCard], list[TextCard], list[TextCard], list[TextCard], list[TextCard], + ) # fmt: on transformations = parse_transformations(text_transformations) transformations_index = TransformationStrictIndex.from_iterable(transformations) diff --git a/src/mckit/parser/mctal_parser.py b/src/mckit/parser/mctal_parser.py index 7020b21d..b9870e24 100644 --- a/src/mckit/parser/mctal_parser.py +++ b/src/mckit/parser/mctal_parser.py @@ -24,7 +24,7 @@ def read_mctal(filename: str | Path, encoding="utf-8"): with filename.open(encoding=encoding) as f: text = f.read() flags = re.MULTILINE + re.IGNORECASE - header, *tally_texts = re.split("tally", text, flags=flags) + _header, *tally_texts = re.split("tally", text, flags=flags) tallies = {} for text in tally_texts: tally = parse_tally(text) @@ -35,7 +35,7 @@ def read_mctal(filename: str | Path, encoding="utf-8"): def parse_tally(text): """Parses text of tally.""" tally = {} - header_text, bin_text, val_text, tfc_text, comment = split_topics(text) + header_text, bin_text, val_text, _tfc_text, comment = split_topics(text) tally["comment"] = comment.strip() tally.update(parse_tally_header(header_text)) diff --git a/src/mckit/parser/surface_parser.py b/src/mckit/parser/surface_parser.py index 41f7e79d..3678e71d 100644 --- a/src/mckit/parser/surface_parser.py +++ b/src/mckit/parser/surface_parser.py @@ -165,7 +165,7 @@ def parse(text: str, transformations: Index | None = None) -> Surface: else: assert isinstance(transformations, Index) text = drop_c_comments(text) - text, comments, trailing_comments = extract_comments(text) + text, _comments, trailing_comments = extract_comments(text) lexer = Lexer() parser = Parser(transformations) result = parser.parse(lexer.tokenize(text)) diff --git a/src/mckit/parser/transformation_parser.py b/src/mckit/parser/transformation_parser.py index 6bf3d43e..aa4f3f7f 100644 --- a/src/mckit/parser/transformation_parser.py +++ b/src/mckit/parser/transformation_parser.py @@ -101,7 +101,7 @@ def float(self, p): def parse(text: str) -> Transformation: text = drop_c_comments(text) - text, comments, trailing_comments = extract_comments(text) + text, _comments, trailing_comments = extract_comments(text) lexer = Lexer() parser = Parser() result: Transformation = parser.parse(lexer.tokenize(text)) diff --git a/src/mckit/src/box.c b/src/mckit/src/box.c index 6873303a..b8ba2463 100644 --- a/src/mckit/src/box.c +++ b/src/mckit/src/box.c @@ -245,7 +245,7 @@ int box_check_intersection(const Box *box1, const Box *box2) nlopt_add_inequality_mconstraint(opt, 6, box_ieqcons, (void *)box1, NULL); nlopt_set_stopval(opt, 0); - nlopt_set_maxeval(opt, 1000); // TODO: consider passing this parameter. + nlopt_set_maxeval(opt, 1000); // TODO @rrn: consider passing this parameter. cblas_dcopy(NDIM, box1->center, 1, x, 1); opt_result = nlopt_optimize(opt, x, &opt_val); diff --git a/src/mckit/surface.py b/src/mckit/surface.py index 6c28dc13..e4c63ca0 100644 --- a/src/mckit/surface.py +++ b/src/mckit/surface.py @@ -771,7 +771,7 @@ def __setstate__(self, state): self.__init__(v, k, **options) def __repr__(self): - return f"Plane({self._v}, {self._k}, {self.options if self.options else ''})" + return f"Plane({self._v}, {self._k}, {self.options or ''})" def _get_k(self): return round_scalar(self._k, self._k_digits) @@ -841,7 +841,7 @@ def __eq__(self, other): return self._get_radius() == other._get_radius() def __repr__(self): - return f"Sphere({self._center}, {self._radius}, {self.options if self.options else ''})" + return f"Sphere({self._center}, {self._radius}, {self.options or ''})" def is_close_to( self, @@ -984,7 +984,7 @@ def copy(self): return instance def __repr__(self): - return f"Cylinder({self._pt}, {self._axis}, {self._radius}, {self.options if self.options else ''})" + return f"Cylinder({self._pt}, {self._axis}, {self._radius}, {self.options or ''})" def __hash__(self): result = hash(self._get_radius()) @@ -1198,7 +1198,7 @@ def copy(self): return instance def __repr__(self): - return f"Cone({self._apex}, {self._axis}, {self._t2}, {self._sheet}, {self.options if self.options else ''})" + return f"Cone({self._apex}, {self._axis}, {self._t2}, {self._sheet}, {self.options or ''})" def __getstate__(self): return self._apex, self._axis, self._t2, self._sheet, Surface.__getstate__(self) @@ -1633,4 +1633,4 @@ def is_close_to( def __repr__(self): return f"Torus({self._center}, {self._axis}, {self._R}, \ - {self._a}, {self._b}, {self.options if self.options else ''}" + {self._a}, {self._b}, {self.options or ''}" diff --git a/src/mckit/universe.py b/src/mckit/universe.py index d8672dd9..a05778e4 100644 --- a/src/mckit/universe.py +++ b/src/mckit/universe.py @@ -8,7 +8,7 @@ import sys from collections import defaultdict -from collections.abc import Callable, Iterable +from collections.abc import Callable, Generator, Iterable from contextlib import contextmanager from functools import reduce from io import StringIO @@ -20,7 +20,6 @@ from attr import attrib, attrs from click import progressbar -from mckit.constants import MCNP_ENCODING from mckit.utils import filter_dict from .body import Body, Shape @@ -669,7 +668,7 @@ def check_clashes(self) -> None: def save( self, filename: str | Path, - encoding: str = MCNP_ENCODING, + encoding: str = "utf8", check_clashes: bool = True, ): """Saves the universe into file.""" @@ -776,7 +775,7 @@ def fmt_fun(x): self._cells = new_cells - def test_points(self, points: npt.ArrayLike[float]) -> npt.NDArray[int]: + def test_points(self, points: npt.ArrayLike[float]) -> npt.NDArray[Any]: """Finds cell to which each point belongs to. Args: @@ -930,7 +929,11 @@ def at_body(aggregator: set[Transformation], b: Body) -> set[Transformation]: return aggregator @contextmanager - def visit_universe(u: Universe) -> set[Transformation]: + def visit_universe( + u: Universe, + ) -> Generator[ + tuple[Callable[[set[Transformation], Body], set[Transformation]], set[Transformation]] + ]: if isinstance(u, Universe): yield at_body, set() # TODO dvp: set() is not a valid choice as aggregator considering @@ -990,7 +993,7 @@ def transformations_to_universe_mapper(universe: Universe) -> IU: def is_shared_between_universes(item: tuple[Name, dict[Name, int]]) -> bool: - entity, universes_counts = item + _entity, universes_counts = item return len(universes_counts.keys()) > 1 diff --git a/src/mckit/utils/__init__.py b/src/mckit/utils/__init__.py index 5ded4fe0..4ee70d3a 100644 --- a/src/mckit/utils/__init__.py +++ b/src/mckit/utils/__init__.py @@ -3,7 +3,6 @@ from __future__ import annotations from mckit.utils._io import ( - MCNP_ENCODING, check_if_all_paths_exist, check_if_path_exists, make_dir, @@ -33,7 +32,6 @@ __all__ = [ "FLOAT_TOLERANCE", "MAX_DIGITS", - "MCNP_ENCODING", "TVisitor", "accept", "are_equal", diff --git a/src/mckit/utils/_io.py b/src/mckit/utils/_io.py index 1e38dfd2..9f13d3cc 100644 --- a/src/mckit/utils/_io.py +++ b/src/mckit/utils/_io.py @@ -3,12 +3,6 @@ from collections.abc import Generator from pathlib import Path -MCNP_ENCODING = "Cp1251" -"""The encoding used in SuperMC when creating MCNP models code. - -Some symbols are not Unicode. -""" - def make_dir(d: Path) -> Path: """Create directory.""" diff --git a/tests/cli/test_split.py b/tests/cli/test_split.py index 09d9cf92..a36eaee9 100644 --- a/tests/cli/test_split.py +++ b/tests/cli/test_split.py @@ -7,7 +7,7 @@ from mckit.cli.commands.common import get_default_output_directory from mckit.cli.runner import mckit from mckit.parser.mcnp_section_parser import is_comment -from mckit.utils import MCNP_ENCODING, path_resolver +from mckit.utils import path_resolver data_path_resolver = path_resolver("tests") @@ -99,7 +99,7 @@ def test_when_separator_files_are_required(runner, source, expected): expected = expected.split() for e in expected: assert (out / e).exists() - text = (out / "cells_start.txt").read_text(encoding=MCNP_ENCODING) + text = (out / "cells_start.txt").read_text(encoding="cp1251") assert is_comment(text), "Should be MCNP comment text" diff --git a/tests/cli/test_transform.py b/tests/cli/test_transform.py index 25b000b6..08758585 100644 --- a/tests/cli/test_transform.py +++ b/tests/cli/test_transform.py @@ -168,7 +168,7 @@ def key(a): # expected = expected.split() # for e in expected: # assert (out / e).exists() -# text = (out / "cells_start.txt").read_text(encoding=MCNP_ENCODING) +# text = (out / "cells_start.txt").read_text(encoding="utf8") # assert is_comment_text(text), "Should be MCNP comment text" diff --git a/tests/test_body.py b/tests/test_body.py index 0e93a983..85e0cc06 100644 --- a/tests/test_body.py +++ b/tests/test_body.py @@ -244,7 +244,7 @@ def test_create_failure(self, surfaces, opc, args): [13, "C", 12, "C", "I"], ] - @pytest.mark.parametrize("case_no, polish", enumerate(polish_cases)) + @pytest.mark.parametrize("case_no, polish", list(enumerate(polish_cases))) def test_from_polish(self, geometry, surfaces, case_no, polish): polish = [self.filter_arg(a, surfaces) for a in polish] shape = Shape.from_polish_notation(polish) @@ -252,81 +252,83 @@ def test_from_polish(self, geometry, surfaces, case_no, polish): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - ( - "I", - [ - ("U", [("S", [2]), ("C", [3]), ("C", [1]), ("S", [5])]), - ("S", [4]), - ], - ), - ("U", [("S", [6]), ("S", [1])]), - ("I", [("S", [6]), ("S", [1])]), - ( - "I", - [ - ("U", [("S", [4]), ("S", [10])]), - ( - "U", - [ - ("S", [7]), - ("S", [10]), - ( - "I", - [ - ("U", [("S", [3]), ("S", [4])]), - ("U", [("S", [4]), ("C", [9])]), - ( - "U", - [ - ("C", [6]), - ("C", [1]), - ("S", [2]), - ("S", [5]), - ("C", [3]), - ], - ), - ], - ), - ], - ), - ], - ), - ("I", [("S", [1]), ("U", [("S", [5]), ("C", [3]), ("S", [2])])]), - ( - "U", - [ - ("S", [2]), - ( - "I", - [ - ("S", [6]), - ("S", [4]), - ("U", [("C", [3]), ("S", [8]), ("S", [5])]), - ], - ), - ], - ), - ( - "I", - [("U", [("S", [1]), ("S", [5])]), ("U", [("S", [1]), ("C", [5])])], - ), - ( - "U", - [("I", [("C", [1]), ("C", [5])]), ("I", [("C", [1]), ("S", [5])])], - ), - ("U", [("S", [2]), ("C", [11]), ("S", [12])]), - ("U", [("C", [1]), ("S", [6])]), - ( - "I", - [ - ("U", [("S", [2]), ("C", [11])]), - ("U", [("S", [2]), ("C", [12])]), - ], - ), - ("U", [("S", [13]), ("S", [12])]), - ] + list( + enumerate( + [ + ( + "I", + [ + ("U", [("S", [2]), ("C", [3]), ("C", [1]), ("S", [5])]), + ("S", [4]), + ], + ), + ("U", [("S", [6]), ("S", [1])]), + ("I", [("S", [6]), ("S", [1])]), + ( + "I", + [ + ("U", [("S", [4]), ("S", [10])]), + ( + "U", + [ + ("S", [7]), + ("S", [10]), + ( + "I", + [ + ("U", [("S", [3]), ("S", [4])]), + ("U", [("S", [4]), ("C", [9])]), + ( + "U", + [ + ("C", [6]), + ("C", [1]), + ("S", [2]), + ("S", [5]), + ("C", [3]), + ], + ), + ], + ), + ], + ), + ], + ), + ("I", [("S", [1]), ("U", [("S", [5]), ("C", [3]), ("S", [2])])]), + ( + "U", + [ + ("S", [2]), + ( + "I", + [ + ("S", [6]), + ("S", [4]), + ("U", [("C", [3]), ("S", [8]), ("S", [5])]), + ], + ), + ], + ), + ( + "I", + [("U", [("S", [1]), ("S", [5])]), ("U", [("S", [1]), ("C", [5])])], + ), + ( + "U", + [("I", [("C", [1]), ("C", [5])]), ("I", [("C", [1]), ("S", [5])])], + ), + ("U", [("S", [2]), ("C", [11]), ("S", [12])]), + ("U", [("C", [1]), ("S", [6])]), + ( + "I", + [ + ("U", [("S", [2]), ("C", [11])]), + ("U", [("S", [2]), ("C", [12])]), + ], + ), + ("U", [("S", [13]), ("S", [12])]), + ] + ) ), ) def test_complement(self, geometry, surfaces, case_no, expected): @@ -1893,7 +1895,7 @@ def test_points(self, geometry, geom_no: int, point, ans): result = geometry[geom_no].test_points(point) np.testing.assert_array_equal(result, ans) - @pytest.mark.parametrize("case_no, expected", enumerate([5, 2, 2, 13, 4, 6, 4, 4, 3, 2])) + @pytest.mark.parametrize("case_no, expected", list(enumerate([5, 2, 2, 13, 4, 6, 4, 4, 3, 2]))) def test_complexity(self, geometry, case_no, expected): assert geometry[case_no].complexity() == expected @@ -1904,13 +1906,14 @@ def test_complexity(self, geometry, case_no, expected): ] @pytest.fixture(scope="class") - def box(self): - return [Box(*b) for b in self.box_data] + @classmethod + def box(cls): + return [Box(*b) for b in cls.box_data] @pytest.mark.parametrize("box_no", range(len(box_data))) @pytest.mark.parametrize( "case_no, expected", - enumerate([(0, 0, -1), (-1, -1, 0), (0, -1, 0), (0, 0, -1), (0, 0, 0), (0, 0, 0)]), + list(enumerate([(0, 0, -1), (-1, -1, 0), (0, -1, 0), (0, 0, -1), (0, 0, 0), (0, 0, 0)])), ) def test_box(self, geometry, box, box_no: int, case_no: int, expected: tuple[int]): result = geometry[case_no].test_box(box[box_no]) @@ -1920,16 +1923,18 @@ def test_box(self, geometry, box, box_no: int, case_no: int, expected: tuple[int @pytest.mark.parametrize("tol", [0.2, None]) @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - [[-4, 4], [-2, 2], [-2, 2]], - [[3, 5], [-1, 1], [-1, 1]], - [[2, 6], [-2, 2], [-2, 2]], - [[-4, 4], [-2, 2], [-2, 2]], - [[-3, 6], [-2, 2], [-2, 2]], - [[-4, 5], [-1, 1], [-1, 1]], - [[2, 6], [-2, 2], [-2, 2]], - ] + list( + enumerate( + [ + [[-4, 4], [-2, 2], [-2, 2]], + [[3, 5], [-1, 1], [-1, 1]], + [[2, 6], [-2, 2], [-2, 2]], + [[-4, 4], [-2, 2], [-2, 2]], + [[-3, 6], [-2, 2], [-2, 2]], + [[-4, 5], [-1, 1], [-1, 1]], + [[2, 6], [-2, 2], [-2, 2]], + ] + ) ), ) def test_bounding_box(self, geometry, tol, case_no, expected): @@ -1952,15 +1957,17 @@ def test_bounding_box(self, geometry, tol, case_no, expected): @pytest.mark.parametrize("box_no", range(len(box_data))) @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - [7.4940, 3.6652, 0], - [0, 0, 0.1636], - [0.35997, 0, 2.3544], - [7.4940, 3.6652, 0], - [7.8540, 3.1416, 2.3544], - [1.9635, 1.30900, 0.1636], - ] + list( + enumerate( + [ + [7.4940, 3.6652, 0], + [0, 0, 0.1636], + [0.35997, 0, 2.3544], + [7.4940, 3.6652, 0], + [7.8540, 3.1416, 2.3544], + [1.9635, 1.30900, 0.1636], + ] + ) ), ) def test_volume(self, geometry, box, box_no: int, case_no: int, expected): @@ -1969,21 +1976,23 @@ def test_volume(self, geometry, box, box_no: int, case_no: int, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - [2, 3, 1, 5, 4], - [6, 1], - [6, 1], - [6, 1, 2, 5, 3, 4, 9, 7, 10], - [5, 3, 2, 1], - [3, 8, 5, 4, 6, 2], - [1, 5], - [1, 5], - [2, 11, 12], - [1, 6], - [2, 11, 12], - [13, 12], - ] + list( + enumerate( + [ + [2, 3, 1, 5, 4], + [6, 1], + [6, 1], + [6, 1, 2, 5, 3, 4, 9, 7, 10], + [5, 3, 2, 1], + [3, 8, 5, 4, 6, 2], + [1, 5], + [1, 5], + [2, 11, 12], + [1, 6], + [2, 11, 12], + [13, 12], + ] + ) ), ) def test_get_surface(self, geometry, surfaces, case_no, expected): @@ -1991,7 +2000,7 @@ def test_get_surface(self, geometry, surfaces, case_no, expected): surfs = geometry[case_no].get_surfaces() assert surfs == expected - @pytest.mark.parametrize("case_no, polish", enumerate(polish_cases)) + @pytest.mark.parametrize("case_no, polish", list(enumerate(polish_cases))) def test_pickle(self, surfaces, case_no, polish): polish = [self.filter_arg(a, surfaces) for a in polish] g = Shape.from_polish_notation(polish) @@ -2014,21 +2023,23 @@ def test_pickle(self, surfaces, case_no, polish): @pytest.mark.parametrize( "case_no, replace_names", - enumerate( - [ - [2, 3, 1, 5, 4], - [], - [6], - [1, 5, 7, 10], - [5, 3, 2], - [3, 8, 5, 4, 6, 2], - [1, 5], - [5], - [12], - [1, 6], - [2, 11, 12], - [13, 12], - ] + list( + enumerate( + [ + [2, 3, 1, 5, 4], + [], + [6], + [1, 5, 7, 10], + [5, 3, 2], + [3, 8, 5, 4, 6, 2], + [1, 5], + [5], + [12], + [1, 6], + [2, 11, 12], + [13, 12], + ] + ) ), ) def test_replace_surf(self, geometry, case_no, replace_names): @@ -2064,7 +2075,7 @@ def test_create(self, geometry, case_no: int, kwargs): assert body.options[k] == v assert body.material() == kwargs.get("MAT", None) - @pytest.mark.parametrize("case_no, polish", enumerate(TestShape.polish_cases)) + @pytest.mark.parametrize("case_no, polish", list(enumerate(TestShape.polish_cases))) def test_create_polish(self, geometry, surfaces, case_no, polish): polish = [TestShape.filter_arg(a, surfaces) for a in polish] body = Body(polish) diff --git a/tests/test_box.py b/tests/test_box.py index 688cd915..75d2cfc4 100644 --- a/tests/test_box.py +++ b/tests/test_box.py @@ -6,12 +6,12 @@ import numpy as np import pytest -from numpy.testing import assert_array_equal - -from mckit.box import Box # noinspection PyUnresolvedReferences,PyPackageRequirements from mckit.geometry import EX, EY, EZ +from numpy.testing import assert_array_equal + +from mckit.box import Box @pytest.fixture(scope="module") @@ -21,23 +21,27 @@ def box(): @pytest.mark.parametrize( "point_no, point", - enumerate( - [ - [0.1, 0.1, 0.1], - [0.9, 0.9, 0.9], - [-0.1, -0.1, 1.1], - [0.1, 0.1, 3.2], - [[0.1, 0.1, 0.1], [0.9, 0.9, 0.9], [-0.1, -0.1, 1.1], [0.1, 0.1, 3.2]], - ] + list( + enumerate( + [ + [0.1, 0.1, 0.1], + [0.9, 0.9, 0.9], + [-0.1, -0.1, 1.1], + [0.1, 0.1, 3.2], + [[0.1, 0.1, 0.1], [0.9, 0.9, 0.9], [-0.1, -0.1, 1.1], [0.1, 0.1, 3.2]], + ] + ) ), ) @pytest.mark.parametrize( "case_no, answer", - enumerate( - [ - {0: True, 1: True, 2: False, 3: False, 4: [True, True, False, False]}, - {0: False, 1: False, 2: True, 3: False, 4: [False, False, True, False]}, - ] + list( + enumerate( + [ + {0: True, 1: True, 2: False, 3: False, 4: [True, True, False, False]}, + {0: False, 1: False, 2: True, 3: False, 4: [False, False, True, False]}, + ] + ) ), ) def test_test_point(box, point_no, point, case_no, answer): @@ -426,29 +430,31 @@ def test_split(box, splits, case_no, split_no, ba1, ba2): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - [ - [0.0, 0.0, 0.0], - [0.0, 0.0, 3.0], - [0.0, 2.0, 0.0], - [0.0, 2.0, 3.0], - [1.0, 0.0, 0.0], - [1.0, 0.0, 3.0], - [1.0, 2.0, 0.0], - [1.0, 2.0, 3.0], - ], + list( + enumerate( [ - [-1.0, -2.0, 1.0], - [-1.0, -2.0, 2.0], - [-1.0, 0.0, 1.0], - [-1.0, 0.0, 2.0], - [2.0, -2.0, 1.0], - [2.0, -2.0, 2.0], - [2.0, 0.0, 1.0], - [2.0, 0.0, 2.0], - ], - ] + [ + [0.0, 0.0, 0.0], + [0.0, 0.0, 3.0], + [0.0, 2.0, 0.0], + [0.0, 2.0, 3.0], + [1.0, 0.0, 0.0], + [1.0, 0.0, 3.0], + [1.0, 2.0, 0.0], + [1.0, 2.0, 3.0], + ], + [ + [-1.0, -2.0, 1.0], + [-1.0, -2.0, 2.0], + [-1.0, 0.0, 1.0], + [-1.0, 0.0, 2.0], + [2.0, -2.0, 1.0], + [2.0, -2.0, 2.0], + [2.0, 0.0, 1.0], + [2.0, 0.0, 2.0], + ], + ] + ) ), ) def test_corners(box, case_no, expected): @@ -458,14 +464,14 @@ def test_corners(box, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate([[[0.0, 1.0], [0.0, 2.0], [0.0, 3.0]], [[-1.0, 2.0], [-2.0, 0.0], [1.0, 2.0]]]), + list(enumerate([[[0.0, 1.0], [0.0, 2.0], [0.0, 3.0]], [[-1.0, 2.0], [-2.0, 0.0], [1.0, 2.0]]])), ) def test_bounds(box, case_no, expected): bounds = box[case_no].bounds assert np.all(bounds == expected) -@pytest.mark.parametrize("case_no, expected", enumerate([6, 6])) +@pytest.mark.parametrize("case_no, expected", list(enumerate([6, 6]))) def test_volume(box, case_no, expected): vol = box[case_no].volume assert vol == expected diff --git a/tests/test_fmesh.py b/tests/test_fmesh.py index 762c1805..7314967d 100644 --- a/tests/test_fmesh.py +++ b/tests/test_fmesh.py @@ -7,10 +7,11 @@ import numpy as np import pytest +from mckit.geometry import EX, EY, EZ + from mckit import read_meshtal from mckit.body import Body from mckit.fmesh import CylMesh, RectMesh -from mckit.geometry import EX, EY, EZ from mckit.material import Material from mckit.surface import create_surface from mckit.transformation import Transformation @@ -199,7 +200,7 @@ def test_shape(self, mi, ti, ans): ), ] - @pytest.mark.parametrize("mi, ti", product(range(len(bins)), range(len(transforms)))) + @pytest.mark.parametrize("mi, ti", list(product(range(len(bins)), range(len(transforms))))) def test_get_voxel(self, mi: int, ti: int): tr = transforms[ti] _bin = bins[mi] @@ -240,7 +241,7 @@ def test_get_voxel(self, mi: int, ti: int): @pytest.mark.parametrize( "mi, ti, pi, local", - product(range(len(bins)), range(len(transforms)), range(len(points)), [False, True]), + list(product(range(len(bins)), range(len(transforms)), range(len(points)), [False, True])), ) def test_voxel_index(self, mi: int, ti: int, pi: int, local: bool): tr = transforms[ti] @@ -343,7 +344,7 @@ def test_slice_index(self, ti: int, mi: int, args, expected): if expected is None: with pytest.raises( ValueError, - match="Wrong number of fixed spatial variables|Specified point lies outside of the mesh", + match=r"Wrong number of fixed spatial variables|Specified point lies outside of the mesh", ): mesh.slice_axis_index(**args) else: diff --git a/tests/test_material.py b/tests/test_material.py index 10ef3183..ffd97ee0 100644 --- a/tests/test_material.py +++ b/tests/test_material.py @@ -92,201 +92,203 @@ def test_le(self, arg1: int, arg2: int, expected: bool) -> None: @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - { - "charge": 1, - "mass_number": 0, - "molar_mass": 1.0079, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 1, - "mass_number": 0, - "molar_mass": 1.0079, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 1, - "mass_number": 1, - "molar_mass": 1.007825, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 0, - "molar_mass": 40.078, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 0, - "molar_mass": 40.078, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 0, - "molar_mass": 40.078, - "lib": "21c", - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 40, - "molar_mass": 39.962591, - "lib": "21c", - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 40, - "molar_mass": 39.962591, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 42, - "molar_mass": 41.958618, - "lib": "21c", - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 43, - "molar_mass": 42.958767, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 20, - "mass_number": 41, - "molar_mass": 41, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 92, - "mass_number": 0, - "molar_mass": 238.0289, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 92, - "mass_number": 0, - "molar_mass": 238.0289, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 92, - "mass_number": 235, - "molar_mass": 235.043923, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 92, - "mass_number": 235, - "molar_mass": 235.043923, - "lib": "50c", - "isomer": 1, - "comment": None, - }, - { - "charge": 92, - "mass_number": 238, - "molar_mass": 238.050783, - "lib": None, - "isomer": 0, - "comment": "pure 238", - }, - { - "charge": 92, - "mass_number": 238, - "molar_mass": 238.050783, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 92, - "mass_number": 0, - "molar_mass": 238.0289, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 0, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 9, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 0, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 9, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 0, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - { - "charge": 4, - "mass_number": 9, - "molar_mass": 9.012182, - "lib": None, - "isomer": 0, - "comment": None, - }, - ] + list( + enumerate( + [ + { + "charge": 1, + "mass_number": 0, + "molar_mass": 1.0079, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 1, + "mass_number": 0, + "molar_mass": 1.0079, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 1, + "mass_number": 1, + "molar_mass": 1.007825, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 0, + "molar_mass": 40.078, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 0, + "molar_mass": 40.078, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 0, + "molar_mass": 40.078, + "lib": "21c", + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 40, + "molar_mass": 39.962591, + "lib": "21c", + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 40, + "molar_mass": 39.962591, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 42, + "molar_mass": 41.958618, + "lib": "21c", + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 43, + "molar_mass": 42.958767, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 20, + "mass_number": 41, + "molar_mass": 41, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 92, + "mass_number": 0, + "molar_mass": 238.0289, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 92, + "mass_number": 0, + "molar_mass": 238.0289, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 92, + "mass_number": 235, + "molar_mass": 235.043923, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 92, + "mass_number": 235, + "molar_mass": 235.043923, + "lib": "50c", + "isomer": 1, + "comment": None, + }, + { + "charge": 92, + "mass_number": 238, + "molar_mass": 238.050783, + "lib": None, + "isomer": 0, + "comment": "pure 238", + }, + { + "charge": 92, + "mass_number": 238, + "molar_mass": 238.050783, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 92, + "mass_number": 0, + "molar_mass": 238.0289, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 0, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 9, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 0, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 9, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 0, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + { + "charge": 4, + "mass_number": 9, + "molar_mass": 9.012182, + "lib": None, + "isomer": 0, + "comment": None, + }, + ] + ) ), ) def test_creation(self, case_no, expected): @@ -300,66 +302,68 @@ def test_creation(self, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - [("H1", {}, 0.999885), ("H2", {}, 0.000115)], - [("H1", {}, 0.999885), ("H2", {}, 0.000115)], - [("H1", {}, 1.0)], - [ - ("CA40", {}, 0.96941), - ("CA42", {}, 0.00647), - ("CA43", {}, 0.00135), - ("CA44", {}, 0.02086), - ("CA46", {}, 0.00004), - ("CA48", {}, 0.00187), - ], - [ - ("CA40", {}, 0.96941), - ("CA42", {}, 0.00647), - ("CA43", {}, 0.00135), - ("CA44", {}, 0.02086), - ("CA46", {}, 0.00004), - ("CA48", {}, 0.00187), - ], - [ - ("CA40", {"lib": "21c"}, 0.96941), - ("CA42", {"lib": "21c"}, 0.00647), - ("CA43", {"lib": "21c"}, 0.00135), - ("CA44", {"lib": "21c"}, 0.02086), - ("CA46", {"lib": "21c"}, 0.00004), - ("CA48", {"lib": "21c"}, 0.00187), - ], - [("CA40", {"lib": "21c"}, 1.0)], - [("CA40", {}, 1.0)], - [("CA42", {"lib": "21c"}, 1.0)], - [("CA43", {}, 1.0)], - [], + list( + enumerate( [ - ("U234", {}, 0.000055), - ("U235", {}, 0.007200), - ("U238", {}, 0.992745), - ], - [ - ("U234", {}, 0.000055), - ("U235", {}, 0.007200), - ("U238", {}, 0.992745), - ], - [("U235", {}, 1.0)], - [("U235", {"isomer": 1, "lib": "50c"}, 1.0)], - [("U238", {}, 1.0)], - [("U238", {}, 1.0)], - [ - ("U234", {}, 0.000055), - ("U235", {}, 0.007200), - ("U238", {}, 0.992745), - ], - [("BE9", {}, 1.0)], - [("BE9", {}, 1.0)], - [("BE9", {}, 1.0)], - [("BE9", {}, 1.0)], - [("BE9", {}, 1.0)], - [("BE9", {}, 1.0)], - ] + [("H1", {}, 0.999885), ("H2", {}, 0.000115)], + [("H1", {}, 0.999885), ("H2", {}, 0.000115)], + [("H1", {}, 1.0)], + [ + ("CA40", {}, 0.96941), + ("CA42", {}, 0.00647), + ("CA43", {}, 0.00135), + ("CA44", {}, 0.02086), + ("CA46", {}, 0.00004), + ("CA48", {}, 0.00187), + ], + [ + ("CA40", {}, 0.96941), + ("CA42", {}, 0.00647), + ("CA43", {}, 0.00135), + ("CA44", {}, 0.02086), + ("CA46", {}, 0.00004), + ("CA48", {}, 0.00187), + ], + [ + ("CA40", {"lib": "21c"}, 0.96941), + ("CA42", {"lib": "21c"}, 0.00647), + ("CA43", {"lib": "21c"}, 0.00135), + ("CA44", {"lib": "21c"}, 0.02086), + ("CA46", {"lib": "21c"}, 0.00004), + ("CA48", {"lib": "21c"}, 0.00187), + ], + [("CA40", {"lib": "21c"}, 1.0)], + [("CA40", {}, 1.0)], + [("CA42", {"lib": "21c"}, 1.0)], + [("CA43", {}, 1.0)], + [], + [ + ("U234", {}, 0.000055), + ("U235", {}, 0.007200), + ("U238", {}, 0.992745), + ], + [ + ("U234", {}, 0.000055), + ("U235", {}, 0.007200), + ("U238", {}, 0.992745), + ], + [("U235", {}, 1.0)], + [("U235", {"isomer": 1, "lib": "50c"}, 1.0)], + [("U238", {}, 1.0)], + [("U238", {}, 1.0)], + [ + ("U234", {}, 0.000055), + ("U235", {}, 0.007200), + ("U238", {}, 0.992745), + ], + [("BE9", {}, 1.0)], + [("BE9", {}, 1.0)], + [("BE9", {}, 1.0)], + [("BE9", {}, 1.0)], + [("BE9", {}, 1.0)], + [("BE9", {}, 1.0)], + ] + ) ), ) def test_expand(self, case_no, expected): @@ -373,33 +377,35 @@ def test_expand(self, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - "H", - "H", - "H-1", - "Ca", - "Ca", - "Ca", - "Ca-40", - "Ca-40", - "Ca-42", - "Ca-43", - "Ca-41", - "U", - "U", - "U-235", - "U-235m", - "U-238", - "U-238", - "U", - "Be", - "Be-9", - "Be", - "Be-9", - "Be", - "Be-9", - ] + list( + enumerate( + [ + "H", + "H", + "H-1", + "Ca", + "Ca", + "Ca", + "Ca-40", + "Ca-40", + "Ca-42", + "Ca-43", + "Ca-41", + "U", + "U", + "U-235", + "U-235m", + "U-238", + "U-238", + "U", + "Be", + "Be-9", + "Be", + "Be-9", + "Be", + "Be-9", + ] + ) ), ) def test_str(self, case_no, expected): @@ -408,33 +414,35 @@ def test_str(self, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - "1000", - "1000", - "1001", - "20000", - "20000", - "20000.21c", - "20040.21c", - "20040", - "20042.21c", - "20043", - "20041", - "92000", - "92000", - "92235", - "92235.50c", - "92238", - "92238", - "92000", - "4000", - "4009", - "4000", - "4009", - "4000", - "4009", - ] + list( + enumerate( + [ + "1000", + "1000", + "1001", + "20000", + "20000", + "20000.21c", + "20040.21c", + "20040", + "20042.21c", + "20043", + "20041", + "92000", + "92000", + "92235", + "92235.50c", + "92238", + "92238", + "92000", + "4000", + "4009", + "4000", + "4009", + "4000", + "4009", + ] + ) ), ) def test_mcnp_repr(self, case_no, expected): @@ -443,33 +451,35 @@ def test_mcnp_repr(self, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - "H", - "H", - "H1", - "Ca", - "Ca", - "Ca", - "Ca40", - "Ca40", - "Ca42", - "Ca43", - "Ca41", - "U", - "U", - "U235", - "U235m", - "U238", - "U238", - "U", - "Be", - "Be9", - "Be", - "Be9", - "Be", - "Be9", - ] + list( + enumerate( + [ + "H", + "H", + "H1", + "Ca", + "Ca", + "Ca", + "Ca40", + "Ca40", + "Ca42", + "Ca43", + "Ca41", + "U", + "U", + "U235", + "U235m", + "U238", + "U238", + "U", + "Be", + "Be9", + "Be", + "Be9", + "Be", + "Be9", + ] + ) ), ) def test_fispact_repr(self, case_no, expected): @@ -623,8 +633,9 @@ def test_hash_equal(self, compositions, case1: int, case2: int): assert (hash(comp1) == hash(comp2)) == bool(self.hash_eq_matrix[case1][case2]) @pytest.fixture(scope="class") - def compositions(self): - return [Composition(**params) for params in self.cases] + @classmethod + def compositions(cls): + return [Composition(**params) for params in cls.cases] @pytest.mark.parametrize("case_no", range(len(cases))) def test_name(self, case_no: int): @@ -633,50 +644,52 @@ def test_name(self, case_no: int): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - {"H": 1.0}, - {"O": 1.0}, - {"H": 0.66667, "O": 0.33333}, - {"H": 1.0}, - {"H": 0.66667, "O": 0.33333}, - {"H": 0.66667, "O": 0.33333}, - {"H": 0.66667, "O": 0.33333}, - { - "Ni-58": 0.68077, - "Ni-60": 0.26223, - "Ni-61": 0.01140, - "Ni-62": 0.03635, - "Ni-64": 0.00926, - }, - {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, - {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, - {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, - {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, - { - "Ni-58": 0.68277, - "Ni-60": 0.26023, - "Ni-61": 0.01140, - "Ni-62": 0.03635, - "Ni-64": 0.00926, - }, - { - "Ni-58": 0.68077 / 2, - "Ni-60": 0.26223 / 2, - "Ni-61": 0.01140 / 2, - "Ni-62": 0.03635 / 2, - "Ni-64": 0.00926 / 2, - "O": 0.5, - }, - { - "Ni-58": 0.68077 / 2, - "Ni-60": 0.26223 / 2, - "Ni-61": 0.01140 / 2, - "Ni-62": 0.03635 / 2, - "Ni-64": 0.00926 / 2, - "Ni": 0.5, - }, - ] + list( + enumerate( + [ + {"H": 1.0}, + {"O": 1.0}, + {"H": 0.66667, "O": 0.33333}, + {"H": 1.0}, + {"H": 0.66667, "O": 0.33333}, + {"H": 0.66667, "O": 0.33333}, + {"H": 0.66667, "O": 0.33333}, + { + "Ni-58": 0.68077, + "Ni-60": 0.26223, + "Ni-61": 0.01140, + "Ni-62": 0.03635, + "Ni-64": 0.00926, + }, + {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, + {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, + {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, + {"N": 0.78479, "O": 0.21052, "Ar": 0.0046936}, + { + "Ni-58": 0.68277, + "Ni-60": 0.26023, + "Ni-61": 0.01140, + "Ni-62": 0.03635, + "Ni-64": 0.00926, + }, + { + "Ni-58": 0.68077 / 2, + "Ni-60": 0.26223 / 2, + "Ni-61": 0.01140 / 2, + "Ni-62": 0.03635 / 2, + "Ni-64": 0.00926 / 2, + "O": 0.5, + }, + { + "Ni-58": 0.68077 / 2, + "Ni-60": 0.26223 / 2, + "Ni-61": 0.01140 / 2, + "Ni-62": 0.03635 / 2, + "Ni-64": 0.00926 / 2, + "Ni": 0.5, + }, + ] + ) ), ) def test_create(self, case_no, expected): @@ -694,29 +707,31 @@ def test_create(self, case_no, expected): "_input", [{"atomic": [], "weight": []}, {"atomic": []}, {"weight": []}, {}] ) def test_create_failure(self, _input): - with pytest.raises(ValueError, match="Incorrect set of parameters."): + with pytest.raises(ValueError, match=r"Incorrect set of parameters."): Composition(**_input) @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - 1.0079, - 15.99903, - 6.00509, - 1.0079, - 6.00509, - 6.00509, - 6.00509, - 58.6934, - 14.551, - 14.551, - 14.551, - 14.551, - 58.6934, - 74.6928 / 2, - 58.6934, - ] + list( + enumerate( + [ + 1.0079, + 15.99903, + 6.00509, + 1.0079, + 6.00509, + 6.00509, + 6.00509, + 58.6934, + 14.551, + 14.551, + 14.551, + 14.551, + 58.6934, + 74.6928 / 2, + 58.6934, + ] + ) ), ) def test_molar_mass(self, compositions, case_no, expected): @@ -725,174 +740,176 @@ def test_molar_mass(self, compositions, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 1, - "Ni60": 1, - "Ni61": 1, - "Ni62": 1, - "Ni64": 1, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 1, - "Ar": 1, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 1, - "Ar": 1, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 1, - "Ar": 1, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 1, - "Ar": 1, - }, - { - "H": 0, - "O": 0, - "Ni58": 1, - "Ni60": 1, - "Ni61": 1, - "Ni62": 1, - "Ni64": 1, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 1, - "Ni58": 1, - "Ni60": 1, - "Ni61": 1, - "Ni62": 1, - "Ni64": 1, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 1, - "Ni60": 1, - "Ni61": 1, - "Ni62": 1, - "Ni64": 1, - "N": 0, - "Ar": 0, - }, - ] + list( + enumerate( + [ + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 1, + "Ni60": 1, + "Ni61": 1, + "Ni62": 1, + "Ni64": 1, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 1, + "Ar": 1, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 1, + "Ar": 1, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 1, + "Ar": 1, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 1, + "Ar": 1, + }, + { + "H": 0, + "O": 0, + "Ni58": 1, + "Ni60": 1, + "Ni61": 1, + "Ni62": 1, + "Ni64": 1, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 1, + "Ni58": 1, + "Ni60": 1, + "Ni61": 1, + "Ni62": 1, + "Ni64": 1, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 1, + "Ni60": 1, + "Ni61": 1, + "Ni62": 1, + "Ni64": 1, + "N": 0, + "Ar": 0, + }, + ] + ) ), ) def test_contains(self, compositions, case_no, expected): @@ -903,174 +920,176 @@ def test_contains(self, compositions, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.66667, - "O": 0.33333, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.66667, - "O": 0.33333, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.66667, - "O": 0.33333, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.66667, - "O": 0.33333, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.68077, - "Ni60": 0.26223, - "Ni61": 0.01140, - "Ni62": 0.03635, - "Ni64": 0.00926, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0.21052, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.78479, - "Ar": 0.0046936, - }, - { - "H": 0, - "O": 0.21052, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.78479, - "Ar": 0.0046936, - }, - { - "H": 0, - "O": 0.21052, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.78479, - "Ar": 0.0046936, - }, - { - "H": 0, - "O": 0.21052, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.78479, - "Ar": 0.0046936, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.68277, - "Ni60": 0.26023, - "Ni61": 0.01140, - "Ni62": 0.03635, - "Ni64": 0.00926, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0.5, - "Ni58": 0.68077 / 2, - "Ni60": 0.26223 / 2, - "Ni61": 0.01140 / 2, - "Ni62": 0.03635 / 2, - "Ni64": 0.00926 / 2, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.68077 / 2, - "Ni60": 0.26223 / 2, - "Ni61": 0.01140 / 2, - "Ni62": 0.03635 / 2, - "Ni64": 0.00926 / 2, - "N": 0, - "Ar": 0, - }, - ] + list( + enumerate( + [ + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.66667, + "O": 0.33333, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.66667, + "O": 0.33333, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.66667, + "O": 0.33333, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.66667, + "O": 0.33333, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.68077, + "Ni60": 0.26223, + "Ni61": 0.01140, + "Ni62": 0.03635, + "Ni64": 0.00926, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0.21052, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.78479, + "Ar": 0.0046936, + }, + { + "H": 0, + "O": 0.21052, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.78479, + "Ar": 0.0046936, + }, + { + "H": 0, + "O": 0.21052, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.78479, + "Ar": 0.0046936, + }, + { + "H": 0, + "O": 0.21052, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.78479, + "Ar": 0.0046936, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.68277, + "Ni60": 0.26023, + "Ni61": 0.01140, + "Ni62": 0.03635, + "Ni64": 0.00926, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0.5, + "Ni58": 0.68077 / 2, + "Ni60": 0.26223 / 2, + "Ni61": 0.01140 / 2, + "Ni62": 0.03635 / 2, + "Ni64": 0.00926 / 2, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.68077 / 2, + "Ni60": 0.26223 / 2, + "Ni61": 0.01140 / 2, + "Ni62": 0.03635 / 2, + "Ni64": 0.00926 / 2, + "N": 0, + "Ar": 0, + }, + ] + ) ), ) def test_atomic(self, compositions, case_no, expected): @@ -1087,174 +1106,176 @@ def test_atomic(self, compositions, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 1, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.11189, - "O": 0.888109, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 1, - "O": 0, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.11189, - "O": 0.888109, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.11189, - "O": 0.888109, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0.11189, - "O": 0.888109, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.6719775, - "Ni60": 0.267759, - "Ni61": 0.0118336, - "Ni62": 0.0383482, - "Ni64": 0.0100815, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0.23148, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.755465, - "Ar": 0.012886, - }, - { - "H": 0, - "O": 0.23148, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.755465, - "Ar": 0.012886, - }, - { - "H": 0, - "O": 0.23148, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.755465, - "Ar": 0.012886, - }, - { - "H": 0, - "O": 0.23148, - "Ni58": 0, - "Ni60": 0, - "Ni61": 0, - "Ni62": 0, - "Ni64": 0, - "N": 0.755465, - "Ar": 0.012886, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.673952, - "Ni60": 0.265712, - "Ni61": 0.0118336, - "Ni62": 0.0383482, - "Ni64": 0.0100815, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0.21421, - "Ni58": 0.52804, - "Ni60": 0.210404, - "Ni61": 0.0092996, - "Ni62": 0.030138, - "Ni64": 0.0079254, - "N": 0, - "Ar": 0, - }, - { - "H": 0, - "O": 0, - "Ni58": 0.6719775 / 2, - "Ni60": 0.267759 / 2, - "Ni61": 0.0118336 / 2, - "Ni62": 0.0383482 / 2, - "Ni64": 0.0100815 / 2, - "N": 0, - "Ar": 0, - }, - ] + list( + enumerate( + [ + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 1, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.11189, + "O": 0.888109, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 1, + "O": 0, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.11189, + "O": 0.888109, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.11189, + "O": 0.888109, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0.11189, + "O": 0.888109, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.6719775, + "Ni60": 0.267759, + "Ni61": 0.0118336, + "Ni62": 0.0383482, + "Ni64": 0.0100815, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0.23148, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.755465, + "Ar": 0.012886, + }, + { + "H": 0, + "O": 0.23148, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.755465, + "Ar": 0.012886, + }, + { + "H": 0, + "O": 0.23148, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.755465, + "Ar": 0.012886, + }, + { + "H": 0, + "O": 0.23148, + "Ni58": 0, + "Ni60": 0, + "Ni61": 0, + "Ni62": 0, + "Ni64": 0, + "N": 0.755465, + "Ar": 0.012886, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.673952, + "Ni60": 0.265712, + "Ni61": 0.0118336, + "Ni62": 0.0383482, + "Ni64": 0.0100815, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0.21421, + "Ni58": 0.52804, + "Ni60": 0.210404, + "Ni61": 0.0092996, + "Ni62": 0.030138, + "Ni64": 0.0079254, + "N": 0, + "Ar": 0, + }, + { + "H": 0, + "O": 0, + "Ni58": 0.6719775 / 2, + "Ni60": 0.267759 / 2, + "Ni61": 0.0118336 / 2, + "Ni62": 0.0383482 / 2, + "Ni64": 0.0100815 / 2, + "N": 0, + "Ar": 0, + }, + ] + ) ), ) def test_weight(self, compositions, case_no, expected): @@ -1271,111 +1292,113 @@ def test_weight(self, compositions, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - {"H1": 0.999885, "H2": 0.000115}, - {"O16": 0.99757, "O17": 0.00038, "O18": 0.00205}, - { - "H1": 0.666593, - "H2": 7.666e-5, - "O16": 0.99757 / 3, - "O17": 0.00038 / 3, - "O18": 0.00205 / 3, - }, - {"H1": 0.999885, "H2": 0.000115}, - { - "H1": 0.666593, - "H2": 7.666e-5, - "O16": 0.99757 / 3, - "O17": 0.00038 / 3, - "O18": 0.00205 / 3, - }, - { - "H1": 0.666593, - "H2": 7.666e-5, - "O16": 0.99757 / 3, - "O17": 0.00038 / 3, - "O18": 0.00205 / 3, - }, - { - "H1": 0.666593, - "H2": 7.666e-5, - "O16": 0.99757 / 3, - "O17": 0.00038 / 3, - "O18": 0.00205 / 3, - }, - { - "Ni-58": 0.68077, - "Ni-60": 0.26223, - "Ni-61": 0.01140, - "Ni-62": 0.03635, - "Ni-64": 0.00926, - }, - { - "N14": 0.99632 * 0.78479, - "N15": 0.00368 * 0.78479, - "O16": 0.99757 * 0.21052, - "O17": 0.00038 * 0.21052, - "O18": 0.00205 * 0.21052, - "AR36": 0.003365 * 0.0046936, - "Ar38": 0.000632 * 0.0046936, - "Ar40": 00.996003 * 0.0046936, - }, - { - "N14": 0.99632 * 0.78479, - "N15": 0.00368 * 0.78479, - "O16": 0.99757 * 0.21052, - "O17": 0.00038 * 0.21052, - "O18": 0.00205 * 0.21052, - "AR36": 0.003365 * 0.0046936, - "Ar38": 0.000632 * 0.0046936, - "Ar40": 00.996003 * 0.0046936, - }, - { - "N14": 0.99632 * 0.78479, - "N15": 0.00368 * 0.78479, - "O16": 0.99757 * 0.21052, - "O17": 0.00038 * 0.21052, - "O18": 0.00205 * 0.21052, - "AR36": 0.003365 * 0.0046936, - "Ar38": 0.000632 * 0.0046936, - "Ar40": 00.996003 * 0.0046936, - }, - { - "N14": 0.99632 * 0.78479, - "N15": 0.00368 * 0.78479, - "O16": 0.99757 * 0.21052, - "O17": 0.00038 * 0.21052, - "O18": 0.00205 * 0.21052, - "AR36": 0.003365 * 0.0046936, - "Ar38": 0.000632 * 0.0046936, - "Ar40": 00.996003 * 0.0046936, - }, - { - "Ni-58": 0.68277, - "Ni-60": 0.26023, - "Ni-61": 0.01140, - "Ni-62": 0.03635, - "Ni-64": 0.00926, - }, - { - "Ni-58": 0.68077 / 2, - "Ni-60": 0.26223 / 2, - "Ni-61": 0.01140 / 2, - "Ni-62": 0.03635 / 2, - "Ni-64": 0.00926 / 2, - "O16": 0.99757 / 2, - "O17": 0.00038 / 2, - "O18": 0.00205 / 2, - }, - { - "Ni-58": 0.68077, - "Ni-60": 0.26223, - "Ni-61": 0.01140, - "Ni-62": 0.03635, - "Ni-64": 0.00926, - }, - ] + list( + enumerate( + [ + {"H1": 0.999885, "H2": 0.000115}, + {"O16": 0.99757, "O17": 0.00038, "O18": 0.00205}, + { + "H1": 0.666593, + "H2": 7.666e-5, + "O16": 0.99757 / 3, + "O17": 0.00038 / 3, + "O18": 0.00205 / 3, + }, + {"H1": 0.999885, "H2": 0.000115}, + { + "H1": 0.666593, + "H2": 7.666e-5, + "O16": 0.99757 / 3, + "O17": 0.00038 / 3, + "O18": 0.00205 / 3, + }, + { + "H1": 0.666593, + "H2": 7.666e-5, + "O16": 0.99757 / 3, + "O17": 0.00038 / 3, + "O18": 0.00205 / 3, + }, + { + "H1": 0.666593, + "H2": 7.666e-5, + "O16": 0.99757 / 3, + "O17": 0.00038 / 3, + "O18": 0.00205 / 3, + }, + { + "Ni-58": 0.68077, + "Ni-60": 0.26223, + "Ni-61": 0.01140, + "Ni-62": 0.03635, + "Ni-64": 0.00926, + }, + { + "N14": 0.99632 * 0.78479, + "N15": 0.00368 * 0.78479, + "O16": 0.99757 * 0.21052, + "O17": 0.00038 * 0.21052, + "O18": 0.00205 * 0.21052, + "AR36": 0.003365 * 0.0046936, + "Ar38": 0.000632 * 0.0046936, + "Ar40": 00.996003 * 0.0046936, + }, + { + "N14": 0.99632 * 0.78479, + "N15": 0.00368 * 0.78479, + "O16": 0.99757 * 0.21052, + "O17": 0.00038 * 0.21052, + "O18": 0.00205 * 0.21052, + "AR36": 0.003365 * 0.0046936, + "Ar38": 0.000632 * 0.0046936, + "Ar40": 00.996003 * 0.0046936, + }, + { + "N14": 0.99632 * 0.78479, + "N15": 0.00368 * 0.78479, + "O16": 0.99757 * 0.21052, + "O17": 0.00038 * 0.21052, + "O18": 0.00205 * 0.21052, + "AR36": 0.003365 * 0.0046936, + "Ar38": 0.000632 * 0.0046936, + "Ar40": 00.996003 * 0.0046936, + }, + { + "N14": 0.99632 * 0.78479, + "N15": 0.00368 * 0.78479, + "O16": 0.99757 * 0.21052, + "O17": 0.00038 * 0.21052, + "O18": 0.00205 * 0.21052, + "AR36": 0.003365 * 0.0046936, + "Ar38": 0.000632 * 0.0046936, + "Ar40": 00.996003 * 0.0046936, + }, + { + "Ni-58": 0.68277, + "Ni-60": 0.26023, + "Ni-61": 0.01140, + "Ni-62": 0.03635, + "Ni-64": 0.00926, + }, + { + "Ni-58": 0.68077 / 2, + "Ni-60": 0.26223 / 2, + "Ni-61": 0.01140 / 2, + "Ni-62": 0.03635 / 2, + "Ni-64": 0.00926 / 2, + "O16": 0.99757 / 2, + "O17": 0.00038 / 2, + "O18": 0.00205 / 2, + }, + { + "Ni-58": 0.68077, + "Ni-60": 0.26223, + "Ni-61": 0.01140, + "Ni-62": 0.03635, + "Ni-64": 0.00926, + }, + ] + ) ), ) def test_expand(self, compositions, case_no, expected): @@ -1386,24 +1409,26 @@ def test_expand(self, compositions, case_no, expected): @pytest.mark.parametrize( "case_no, expected", - enumerate( - [ - {"atomic": [("H", 1)]}, - {"atomic": [("O", 1)]}, - {"atomic": [("H", 2), ("O", 1)]}, - {"atomic": [("H", 1)]}, - {"atomic": [("H", 2), ("O", 1)]}, - {"atomic": [("H", 2), ("O", 1)]}, - {"atomic": [("H", 2), ("O", 1)]}, - {"atomic": [("Ni", 1.0)]}, - {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, - {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, - {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, - {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, - None, - {"atomic": [("Ni", 0.5), ("O", 0.5)]}, - {"atomic": [("Ni", 1.0)]}, - ] + list( + enumerate( + [ + {"atomic": [("H", 1)]}, + {"atomic": [("O", 1)]}, + {"atomic": [("H", 2), ("O", 1)]}, + {"atomic": [("H", 1)]}, + {"atomic": [("H", 2), ("O", 1)]}, + {"atomic": [("H", 2), ("O", 1)]}, + {"atomic": [("H", 2), ("O", 1)]}, + {"atomic": [("Ni", 1.0)]}, + {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, + {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, + {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, + {"weight": [("N", 0.755465), ("O", 0.23148), ("AR", 0.012886)]}, + None, + {"atomic": [("Ni", 0.5), ("O", 0.5)]}, + {"atomic": [("Ni", 1.0)]}, + ] + ) ), ) def test_natural(self, compositions, case_no, expected): diff --git a/tests/test_source.py b/tests/test_source.py index ac88cc65..fc0d172d 100644 --- a/tests/test_source.py +++ b/tests/test_source.py @@ -18,7 +18,7 @@ class TestDistribution: ], ) def test_create_failure(self, name, values, probs): - with pytest.raises(ValueError, match="Inconsistent size of values."): + with pytest.raises(ValueError, match=r"Inconsistent size of values."): Distribution(name, values, probs) @pytest.mark.parametrize( diff --git a/tests/test_surface.py b/tests/test_surface.py index 06574c92..8d3bbe8e 100644 --- a/tests/test_surface.py +++ b/tests/test_surface.py @@ -575,14 +575,14 @@ def test_pickle(self, transform, norm, offset, options): [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_close(self, i1: int, s1: Plane, i2: int, s2: Plane) -> None: result = s1.is_close_to(s2) assert result == bool(self.eq_matrix[i1][i2]) - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: assert hash(s1.round()) == hash(s2.round()) @@ -595,28 +595,30 @@ def test_reverse(self, coeffs): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 PX 5", - "1 PX 5", - "1 PX 5", - "1 PX 5.00000000001", - "2 PY 5", - "2 PY 5", - "2 PY 5", - "2 PY 5.00000000001", - "3 PZ 5", - "3 PZ 5", - "3 PZ 5", - "3 PZ 5.00000000001", - "4 PX 5", - "4 PY 5", - "4 PZ 5", - "5 P 0.707106781187 0.707106781187 0 -2.828427124746", - "5 P 0.707106781187 0.707106781187 0 -2.828427124746", - ], - strict=False, + list( + zip( + surfs, + [ + "1 PX 5", + "1 PX 5", + "1 PX 5", + "1 PX 5.00000000001", + "2 PY 5", + "2 PY 5", + "2 PY 5", + "2 PY 5.00000000001", + "3 PZ 5", + "3 PZ 5", + "3 PZ 5", + "3 PZ 5.00000000001", + "4 PX 5", + "4 PY 5", + "4 PZ 5", + "5 P 0.707106781187 0.707106781187 0 -2.828427124746", + "5 P 0.707106781187 0.707106781187 0 -2.828427124746", + ], + strict=False, + ) ), ) def test_mcnp_pretty_repr(self, surface, answer): @@ -629,28 +631,30 @@ def test_mcnp_pretty_repr(self, surface, answer): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 PX 5", - "1 PX 5", - "1 PX 5", - "1 PX 5.00000000001", - "2 PY 5", - "2 PY 5", - "2 PY 5", - "2 PY 5.00000000001", - "3 PZ 5", - "3 PZ 5", - "3 PZ 5", - "3 PZ 5.00000000001", - "4 PX 5", - "4 PY 5", - "4 PZ 5", - "5 P 0.707106781187 0.707106781187 0 -2.828427124746", - "5 P 0.707106781187 0.707106781187 0 -2.828427124746", - ], - strict=False, + list( + zip( + surfs, + [ + "1 PX 5", + "1 PX 5", + "1 PX 5", + "1 PX 5.00000000001", + "2 PY 5", + "2 PY 5", + "2 PY 5", + "2 PY 5.00000000001", + "3 PZ 5", + "3 PZ 5", + "3 PZ 5", + "3 PZ 5.00000000001", + "4 PX 5", + "4 PY 5", + "4 PZ 5", + "5 P 0.707106781187 0.707106781187 0 -2.828427124746", + "5 P 0.707106781187 0.707106781187 0 -2.828427124746", + ], + strict=False, + ) ), ) def test_mcnp_repr(self, surface, answer): @@ -797,8 +801,8 @@ def test_pickle(self, center, radius, options): [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_equality(self, i1, s1, i2, s2): s1, s2 = s1.round(), s2.round() if self.eq_matrix[i1][i2]: @@ -806,36 +810,38 @@ def test_round_equality(self, i1, s1, i2, s2): else: assert s1 != s2 - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: assert hash(s1.round()) == hash(s2.round()) @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 SO 1", - "1 SO 1", - "1 SO 2", - "2 SX 5 4", - "2 SX 5 4", - "2 SX 5 4", - "2 SY 5 4", - "2 SY 5 4", - "2 SY 5 4", - "2 SZ 5 4", - "2 SZ 5 4", - "2 SZ 5 4", - "3 SX 5 4", - "3 SY 5 4", - "3 SZ 5 4", - "4 S 4.3 8.2 -1.4 3.5", - "4 S 4.3 8.2 -1.4 3.5", - ], - strict=False, + list( + zip( + surfs, + [ + "1 SO 1", + "1 SO 1", + "1 SO 2", + "2 SX 5 4", + "2 SX 5 4", + "2 SX 5 4", + "2 SY 5 4", + "2 SY 5 4", + "2 SY 5 4", + "2 SZ 5 4", + "2 SZ 5 4", + "2 SZ 5 4", + "3 SX 5 4", + "3 SY 5 4", + "3 SZ 5 4", + "4 S 4.3 8.2 -1.4 3.5", + "4 S 4.3 8.2 -1.4 3.5", + ], + strict=False, + ), ), ) def test_mcnp_pretty_repr(self, surface, answer): @@ -848,28 +854,30 @@ def test_mcnp_pretty_repr(self, surface, answer): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 SO 1", - "1 SO 1", - "1 SO 2", - "2 SX 5 4", - "2 SX 5 4", - "2 SX 5 4", - "2 SY 5 4", - "2 SY 5 4", - "2 SY 5 4", - "2 SZ 5 4", - "2 SZ 5 4", - "2 SZ 5 4", - "3 SX 5 4", - "3 SY 5 4", - "3 SZ 5 4", - "4 S 4.3 8.2 -1.4 3.5", - "4 S 4.3 8.2 -1.4 3.5", - ], - strict=False, + list( + zip( + surfs, + [ + "1 SO 1", + "1 SO 1", + "1 SO 2", + "2 SX 5 4", + "2 SX 5 4", + "2 SX 5 4", + "2 SY 5 4", + "2 SY 5 4", + "2 SY 5 4", + "2 SZ 5 4", + "2 SZ 5 4", + "2 SZ 5 4", + "3 SX 5 4", + "3 SY 5 4", + "3 SZ 5 4", + "4 S 4.3 8.2 -1.4 3.5", + "4 S 4.3 8.2 -1.4 3.5", + ], + strict=False, + ), ), ) def test_mcnp_repr(self, surface, answer): @@ -1030,44 +1038,46 @@ def test_pickle(self, point, axis, radius, options): [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 0, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_equality(self, i1, s1, i2, s2): s1, s2 = s1.round(), s2.round() result = s1 == s2 assert result == bool(self.eq_matrix[i1][i2]) - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: assert hash(s1.round()) == hash(s2.round()) @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 CX 1", - "1 CX 1", - "1 CY 1", - "1 CY 1", - "1 CZ 1", - "1 CZ 1", - "2 C/X 1 -2 3", - "2 C/X 1 -2 3", - "2 C/Y 1 -2 3", - "2 C/Y 1 -2 3", - "2 C/Z 1 -2 3", - "2 C/Z 1 -2 3", - "3 C/X 1 -2 3", - "3 C/X 1 -2 3", - "3 C/Y 1 -2 3", - "3 C/Y 1 -2 3", - "3 C/Z 1 -2 3", - "3 C/Z 1 -2 3", - ], - strict=False, + list( + zip( + surfs, + [ + "1 CX 1", + "1 CX 1", + "1 CY 1", + "1 CY 1", + "1 CZ 1", + "1 CZ 1", + "2 C/X 1 -2 3", + "2 C/X 1 -2 3", + "2 C/Y 1 -2 3", + "2 C/Y 1 -2 3", + "2 C/Z 1 -2 3", + "2 C/Z 1 -2 3", + "3 C/X 1 -2 3", + "3 C/X 1 -2 3", + "3 C/Y 1 -2 3", + "3 C/Y 1 -2 3", + "3 C/Z 1 -2 3", + "3 C/Z 1 -2 3", + ], + strict=False, + ), ), ) def test_mcnp_prety_repr(self, surface, answer): @@ -1076,29 +1086,31 @@ def test_mcnp_prety_repr(self, surface, answer): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 CX 1", - "1 CX 1", - "1 CY 1", - "1 CY 1", - "1 CZ 1", - "1 CZ 1", - "2 C/X 1 -2 3", - "2 C/X 1 -2 3", - "2 C/Y 1 -2 3", - "2 C/Y 1 -2 3", - "2 C/Z 1 -2 3", - "2 C/Z 1 -2 3", - "3 C/X 1 -2 3", - "3 C/X 1 -2 3", - "3 C/Y 1 -2 3", - "3 C/Y 1 -2 3", - "3 C/Z 1 -2 3", - "3 C/Z 1 -2 3", - ], - strict=False, + list( + zip( + surfs, + [ + "1 CX 1", + "1 CX 1", + "1 CY 1", + "1 CY 1", + "1 CZ 1", + "1 CZ 1", + "2 C/X 1 -2 3", + "2 C/X 1 -2 3", + "2 C/Y 1 -2 3", + "2 C/Y 1 -2 3", + "2 C/Z 1 -2 3", + "2 C/Z 1 -2 3", + "3 C/X 1 -2 3", + "3 C/X 1 -2 3", + "3 C/Y 1 -2 3", + "3 C/Y 1 -2 3", + "3 C/Z 1 -2 3", + "3 C/Z 1 -2 3", + ], + strict=False, + ), ), ) def test_mcnp_repr(self, surface, answer): @@ -2405,8 +2417,8 @@ def test_transform2(self, transform, surf, box): ], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_equality(self, i1, s1, i2, s2): if i1 < i2: s1, s2 = s1.round(), s2.round() @@ -2417,8 +2429,8 @@ def test_round_equality(self, i1, s1, i2, s2): assert s1 != s2, f"Rounded surfaces {i1} and {i2}, should not be equal " assert s2 != s1, "Inequality result shouldn't depend on order" - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_hash(self, i1, s1, i2, s2): if i1 < i2: s1, s2 = s1.round(), s2.round() @@ -2433,41 +2445,43 @@ def test_copy(self, surf): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 KX 4 0.25", - "1 KX 4 0.25", - "1 KY 4 0.25", - "1 KY 4 0.25", - "1 KZ 4 0.25", - "1 KZ 4 0.25", - "2 K/X 3 2 -4 0.25", - "2 K/X 3 2 -4 0.25", - "2 K/Y 3 2 -4 0.25", - "2 K/Y 3 2 -4 0.25", - "2 K/Z 3 2 -4 0.25", - "2 K/Z 3 2 -4 0.25", - "3 K/X 3 2 -4 0.25", - "3 K/Y 3 2 -4 0.25", - "3 K/Z 3 2 -4 0.25", - "4 K/X 3 2 -4 0.25", - "4 K/Y 3 2 -4 0.25", - "4 K/Z 3 2 -4 0.25", - "5 K/X 3 2 -4 0.25 1", - "5 K/X 3 2 -4 0.25 1", - "5 K/Y 3 2 -4 0.25 1", - "5 K/Y 3 2 -4 0.25 1", - "5 K/Z 3 2 -4 0.25 1", - "5 K/Z 3 2 -4 0.25 1", - "6 K/X 3 2 -4 0.25 1", - "6 K/Y 3 2 -4 0.25 1", - "6 K/Z 3 2 -4 0.25 1", - "7 K/X 3 2 -4 0.25 -1", - "7 K/Y 3 2 -4 0.25 -1", - "7 K/Z 3 2 -4 0.25 -1", - ], - strict=False, + list( + zip( + surfs, + [ + "1 KX 4 0.25", + "1 KX 4 0.25", + "1 KY 4 0.25", + "1 KY 4 0.25", + "1 KZ 4 0.25", + "1 KZ 4 0.25", + "2 K/X 3 2 -4 0.25", + "2 K/X 3 2 -4 0.25", + "2 K/Y 3 2 -4 0.25", + "2 K/Y 3 2 -4 0.25", + "2 K/Z 3 2 -4 0.25", + "2 K/Z 3 2 -4 0.25", + "3 K/X 3 2 -4 0.25", + "3 K/Y 3 2 -4 0.25", + "3 K/Z 3 2 -4 0.25", + "4 K/X 3 2 -4 0.25", + "4 K/Y 3 2 -4 0.25", + "4 K/Z 3 2 -4 0.25", + "5 K/X 3 2 -4 0.25 1", + "5 K/X 3 2 -4 0.25 1", + "5 K/Y 3 2 -4 0.25 1", + "5 K/Y 3 2 -4 0.25 1", + "5 K/Z 3 2 -4 0.25 1", + "5 K/Z 3 2 -4 0.25 1", + "6 K/X 3 2 -4 0.25 1", + "6 K/Y 3 2 -4 0.25 1", + "6 K/Z 3 2 -4 0.25 1", + "7 K/X 3 2 -4 0.25 -1", + "7 K/Y 3 2 -4 0.25 -1", + "7 K/Z 3 2 -4 0.25 -1", + ], + strict=False, + ), ), ) def test_mcnp_pretty_repr(self, surface, answer): @@ -2479,41 +2493,43 @@ def test_mcnp_pretty_repr(self, surface, answer): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 KX 4 0.25", - "1 KX 4 0.25", - "1 KY 4 0.25", - "1 KY 4 0.25", - "1 KZ 4 0.25", - "1 KZ 4 0.25", - "2 K/X 3 2 -4 0.25", - "2 K/X 3 2 -4 0.25", - "2 K/Y 3 2 -4 0.25", - "2 K/Y 3 2 -4 0.25", - "2 K/Z 3 2 -4 0.25", - "2 K/Z 3 2 -4 0.25", - "3 K/X 3 2 -4 0.25", - "3 K/Y 3 2 -4 0.25", - "3 K/Z 3 2 -4 0.25", - "4 K/X 3 2 -4 0.25", - "4 K/Y 3 2 -4 0.25", - "4 K/Z 3 2 -4 0.25", - "5 K/X 3 2 -4 0.25 1", - "5 K/X 3 2 -4 0.25 1", - "5 K/Y 3 2 -4 0.25 1", - "5 K/Y 3 2 -4 0.25 1", - "5 K/Z 3 2 -4 0.25 1", - "5 K/Z 3 2 -4 0.25 1", - "6 K/X 3 2 -4 0.25 1", - "6 K/Y 3 2 -4 0.25 1", - "6 K/Z 3 2 -4 0.25 1", - "7 K/X 3 2 -4 0.25 -1", - "7 K/Y 3 2 -4 0.25 -1", - "7 K/Z 3 2 -4 0.25 -1", - ], - strict=False, + list( + zip( + surfs, + [ + "1 KX 4 0.25", + "1 KX 4 0.25", + "1 KY 4 0.25", + "1 KY 4 0.25", + "1 KZ 4 0.25", + "1 KZ 4 0.25", + "2 K/X 3 2 -4 0.25", + "2 K/X 3 2 -4 0.25", + "2 K/Y 3 2 -4 0.25", + "2 K/Y 3 2 -4 0.25", + "2 K/Z 3 2 -4 0.25", + "2 K/Z 3 2 -4 0.25", + "3 K/X 3 2 -4 0.25", + "3 K/Y 3 2 -4 0.25", + "3 K/Z 3 2 -4 0.25", + "4 K/X 3 2 -4 0.25", + "4 K/Y 3 2 -4 0.25", + "4 K/Z 3 2 -4 0.25", + "5 K/X 3 2 -4 0.25 1", + "5 K/X 3 2 -4 0.25 1", + "5 K/Y 3 2 -4 0.25 1", + "5 K/Y 3 2 -4 0.25 1", + "5 K/Z 3 2 -4 0.25 1", + "5 K/Z 3 2 -4 0.25 1", + "6 K/X 3 2 -4 0.25 1", + "6 K/Y 3 2 -4 0.25 1", + "6 K/Z 3 2 -4 0.25 1", + "7 K/X 3 2 -4 0.25 -1", + "7 K/Y 3 2 -4 0.25 -1", + "7 K/Z 3 2 -4 0.25 -1", + ], + strict=False, + ), ), ) def test_mcnp_repr(self, surface, answer): @@ -2711,8 +2727,8 @@ def test_pickle(self, point, axis, radius, a, b, options): [0, 0, 0, 0, 0, 0, 1, 1, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_equality(self, i1, s1, i2, s2): if i1 < i2: s1, s2 = s1.round(), s2.round() @@ -2721,8 +2737,8 @@ def test_round_equality(self, i1, s1, i2, s2): else: assert s1 != s2 - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: s1, s2 = s1.round(), s2.round() @@ -2730,20 +2746,22 @@ def test_hash(self, i1, s1, i2, s2): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 TX 1 2 3 4 2 1", - "1 TX 1 2 3 4 2 1", - "1 TX 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - ], - strict=False, + list( + zip( + surfs, + [ + "1 TX 1 2 3 4 2 1", + "1 TX 1 2 3 4 2 1", + "1 TX 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + ], + strict=False, + ), ), ) def test_mcnp_round_repr(self, surface, answer): @@ -2752,20 +2770,22 @@ def test_mcnp_round_repr(self, surface, answer): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 TX 1 2 3 4 2 1", - "1 TX 1 2 3 4 2 1", - "1 TX 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "2 TY 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - "3 TZ 1 2 3 4 2 1", - ], - strict=False, + list( + zip( + surfs, + [ + "1 TX 1 2 3 4 2 1", + "1 TX 1 2 3 4 2 1", + "1 TX 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "2 TY 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + "3 TZ 1 2 3 4 2 1", + ], + strict=False, + ), ), ) def test_mcnp_repr(self, surface, answer): @@ -2911,8 +2931,8 @@ def test_pickle(self, m, v, k, options): [0, 0, 0, 1, 0, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_round_equality(self, i1, s1, i2, s2): s1, s2 = s1.round(), s2.round() if self.eq_matrix[i1][i2]: @@ -2920,8 +2940,8 @@ def test_round_equality(self, i1, s1, i2, s2): else: assert s1 != s2 - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: s1, s2 = s1.round(), s2.round() @@ -2929,17 +2949,19 @@ def test_hash(self, i1, s1, i2, s2): @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 GQ 1 1 1 0 0 0 -2 -2 -2 3", - "1 GQ 1 1 1 0 0 0 -2 -2 -2 3", - "1 GQ -1 -1 -1 0 0 0 2 2 2 -3", - "2 GQ 1 2 3 0.5 0.8 0.6 1 2 3 -4", - "2 GQ -1 -2 -3 -0.5 -0.8 -0.6 -1 -2 -3 4", - "2 GQ 1 2 3 0.5 0.8 0.6 1 2 3 -4", - ], - strict=False, + list( + zip( + surfs, + [ + "1 GQ 1 1 1 0 0 0 -2 -2 -2 3", + "1 GQ 1 1 1 0 0 0 -2 -2 -2 3", + "1 GQ -1 -1 -1 0 0 0 2 2 2 -3", + "2 GQ 1 2 3 0.5 0.8 0.6 1 2 3 -4", + "2 GQ -1 -2 -3 -0.5 -0.8 -0.6 -1 -2 -3 4", + "2 GQ 1 2 3 0.5 0.8 0.6 1 2 3 -4", + ], + strict=False, + ), ), ) def test_mcnp_pretty_repr(self, surface, answer): @@ -3069,31 +3091,33 @@ def test_pickle(self, center, dirx, diry, dirz, options): [0, 0, 0, 0, 0, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_eq(self, i1, s1, i2, s2): result = s1 == s2 assert result == bool(self.eq_matrix[i1][i2]) - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: assert hash(s1) == hash(s2) @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 BOX -1 -2 -3 2 0 0 0 4 0 0 0 6 ", - "1 BOX -1 -2 -3 2 0 0 0 4 0 0 0 6 ", - "2 BOX 1 2 3 -2 0 0 0 -4 0 0 0 -6 ", - "1 BOX -2 -2 -3 3 0 0 0 4 0 0 0 6 ", - "1 BOX -2 -2 -3 3 0 0 0 4 0 0 0 6 ", - "2 BOX 1 2 3 -3 0 0 0 -4 0 0 0 -6 ", - ], - strict=False, + list( + zip( + surfs, + [ + "1 BOX -1 -2 -3 2 0 0 0 4 0 0 0 6 ", + "1 BOX -1 -2 -3 2 0 0 0 4 0 0 0 6 ", + "2 BOX 1 2 3 -2 0 0 0 -4 0 0 0 -6 ", + "1 BOX -2 -2 -3 3 0 0 0 4 0 0 0 6 ", + "1 BOX -2 -2 -3 3 0 0 0 4 0 0 0 6 ", + "2 BOX 1 2 3 -3 0 0 0 -4 0 0 0 -6 ", + ], + strict=False, + ), ), ) def test_mcnp_repr(self, surface, answer): @@ -3249,31 +3273,33 @@ def test_pickle(self, center, axis, radius, options): [0, 0, 0, 0, 0, 1], ] - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_eq(self, i1, s1, i2, s2): result = s1 == s2 assert result == bool(self.eq_matrix[i1][i2]) - @pytest.mark.parametrize("i1, s1", enumerate(surfs)) - @pytest.mark.parametrize("i2, s2", enumerate(surfs)) + @pytest.mark.parametrize("i1, s1", list(enumerate(surfs))) + @pytest.mark.parametrize("i2, s2", list(enumerate(surfs))) def test_hash(self, i1, s1, i2, s2): if self.eq_matrix[i1][i2]: assert hash(s1) == hash(s2) @pytest.mark.parametrize( "surface, answer", - zip( - surfs, - [ - "1 RCC -1 1 -2 2 0 0 4 ", - "1 RCC -1 1 -2 2 0 0 4 ", - "2 RCC -1 2 -2 2 0 0 4 ", - "1 RCC 1 2 -2 -2 0 0 4 ", - "1 RCC -1 1 -2 2 0 0 3 ", - "2 RCC 1 1 -2 -2 0 0 3 ", - ], - strict=False, + list( + zip( + surfs, + [ + "1 RCC -1 1 -2 2 0 0 4 ", + "1 RCC -1 1 -2 2 0 0 4 ", + "2 RCC -1 2 -2 2 0 0 4 ", + "1 RCC 1 2 -2 -2 0 0 4 ", + "1 RCC -1 1 -2 2 0 0 3 ", + "2 RCC 1 1 -2 -2 0 0 3 ", + ], + strict=False, + ) ), ) def test_mcnp_repr(self, surface, answer): diff --git a/tests/test_transformation.py b/tests/test_transformation.py index d33ed40f..528ba656 100644 --- a/tests/test_transformation.py +++ b/tests/test_transformation.py @@ -4,6 +4,7 @@ import pytest from mckit.geometry import ORIGIN + from mckit.transformation import IDENTITY_ROTATION, Transformation @@ -101,7 +102,7 @@ def test_creation(args, rot, offset, options): ], ) def test_creation_failure(args): - with pytest.raises(ValueError, match="wrong|is greater"): + with pytest.raises(ValueError, match=r"wrong|is greater"): Transformation(**args) diff --git a/uv.lock b/uv.lock index 3ecaabf5..9d364b36 100644 --- a/uv.lock +++ b/uv.lock @@ -1,6 +1,12 @@ version = 1 -revision = 2 +revision = 3 requires-python = ">=3.11" +resolution-markers = [ + "python_full_version >= '3.15'", + "python_full_version == '3.14.*'", + "python_full_version >= '3.12' and 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