easydiffraction 0.9.1__tar.gz → 0.10.0__tar.gz

easydiffraction-0.10.0/.github/workflows/backmerge.yaml

@@ -0,0 +1,66 @@
+# This workflow automatically merges `master` into `develop` whenever a new version tag is pushed (v*).
+#
+# Key points:
+# - Directly merges master into develop without creating a PR.
+# - Skips CI on the merge commit using [skip ci] in the commit message.
+# - The code being merged has already been tested as part of the release process.
+# - This ensures develop stays up-to-date with release changes (version bumps, etc.).
+#
+# Required repo config:
+# https://github.com/organizations/easyscience/settings/secrets/actions
+# https://github.com/organizations/easyscience/settings/variables/actions
+# - Actions secret:   EASYSCIENCE_APP_KEY  (GitHub App private key PEM)
+# - Actions variable: EASYSCIENCE_APP_ID   (GitHub App ID)
+# The GitHub App must be added to the develop branch ruleset bypass list.
+
+name: Backmerge (master -> develop)
+
+on:
+  push:
+    tags: ['v*']
+
+permissions:
+  contents: write
+
+jobs:
+  backmerge:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Create GitHub App installation token
+        id: app-token
+        uses: actions/create-github-app-token@v2
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
+      - name: Checkout repository
+        uses: actions/checkout@v5
+        with:
+          fetch-depth: 0
+          token: ${{ steps.app-token.outputs.token }}
+
+      - name: Configure git for pushing
+        run: |
+          git config user.name "easyscience[bot]"
+          git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
+
+      - name: Merge master into develop
+        run: |
+          set -euo pipefail
+
+          TAG='${{ github.ref_name }}'
+
+          # Ensure local develop branch exists and is up-to-date with origin
+          git fetch origin develop:develop
+          # Switch to develop branch
+          git checkout develop
+
+          # Merge master into develop (no fast-forward to preserve history)
+          # Use [skip ci] to avoid triggering CI - the code was already tested on master
+          git merge origin/master --no-ff -m "Backmerge: ${TAG} from master into develop [skip ci]"
+
+          # Push the merge commit to develop
+          git push origin develop
+
+          echo "✅ Successfully merged master (${TAG}) into develop"

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/.github/workflows/dashboard.yaml

@@ -24,6 +24,19 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
+      # Create GitHub App token for pushing to external dashboard repo.
+      # The 'repositories' parameter is required to grant access to repos
+      # other than the one where the workflow is running.
+      - name: Create GitHub App installation token
+        id: app-token
+        uses: actions/create-github-app-token@v2
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+          repositories: |
+            ${{ github.event.repository.name }}
+            dashboard
+
       - name: Checkout repository
         uses: actions/checkout@v5
         with:
@@ -80,7 +93,7 @@ jobs:
         with:
           external_repository: ${{ env.REPO_OWNER }}/dashboard
           publish_branch: ${{ env.DEFAULT_BRANCH }}
-          personal_token: ${{ secrets.GH_API_PERSONAL_ACCESS_TOKEN }}
+          personal_token: ${{ steps.app-token.outputs.token }}
           publish_dir: ./_dashboard_publish
           keep_files: true
 

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/.github/workflows/docs.yaml

@@ -1,18 +1,15 @@
 # This workflow builds and deploys documentation for the project.
 #
-# Steps overview:
-#  Job 1: build-docs
-#   - Builds documentation (including running Jupyter notebooks to generate output cells).
-#   - Uploads the built site as a Pages artifact.
-#  Job 2: deploy-dev
-#   - Deploys the built site to GitHub Pages for development (pushes to develop/master).
-#  Job 3: deploy-prod
-#   - Deploys the built site to gh-pages branch for production (release tags starting with v*).
-#   - This triggers deployment to a custom domain via webhook.
+# Overview:
+#  - Converts tutorial Python scripts to Jupyter notebooks and executes them.
+#  - Builds the documentation site using MkDocs with the Material theme.
+#  - Uploads the built site as an artifact for local inspection.
+#  - Deploys versioned documentation to the gh-pages branch using Mike:
+#    - For release tags (v*): deploys to a versioned folder (e.g., /0.9.1/) and updates /latest/.
+#    - For branches: deploys to /dev/.
 #
-# The action summary page will contain links to the built artifact for downloading
-# and inspecting, as well as links to both the development and production versions of
-# the deployed documentation site.
+# The action summary page will contain a link to the built artifact for downloading
+# and inspecting, as well as a link to the deployed documentation site.
 
 name: Docs build and deployment
 
@@ -30,12 +27,12 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
-# Allow only one concurrent workflow, skipping runs queued between the run
-# in-progress and latest queued. And cancel in-progress runs.
+# Allow only one concurrent deployment to gh-pages at a time.
+# All docs workflows share the same concurrency group to prevent race conditions
+# when multiple branches/tags trigger simultaneous deployments.
 concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
-  cancel-in-progress: true
+  group: docs-gh-pages-deploy
+  cancel-in-progress: false
 
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
@@ -53,16 +50,17 @@ env:
   NOTEBOOKS_DIR: tutorials
 
 jobs:
-  # Job 1: Build the static files for the documentation site
+  # Single job that builds and deploys documentation.
+  # Uses macOS runner for consistent Plotly chart rendering.
   build-deploy-docs:
     strategy:
       matrix:
-        os: [macos-14] # Use macOS to switch to dark mode for Plotly charts
+        os: [macos-14]
 
     runs-on: ${{ matrix.os }}
 
     permissions:
-      contents: write # required for pushing to gh-pages branch
+      contents: write # Required for pushing to the gh-pages branch
 
     steps:
       # Setting DOCS_VERSION to be used in mkdocs.yml, and then in the
@@ -87,10 +85,20 @@ jobs:
           echo "DOCS_VERSION=${DOCS_VERSION}" >> "$GITHUB_ENV"
           echo "DEPLOYMENT_URL=https://easyscience.github.io/${{ github.event.repository.name }}/${DOCS_VERSION}" >> "$GITHUB_ENV"
 
+      # Create GitHub App token for pushing to gh-pages as easyscience[bot].
+      - name: Create GitHub App installation token
+        id: app-token
+        uses: actions/create-github-app-token@v2
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
+      # Check out the repository source code.
+      # Note: The gh-pages branch is fetched separately later for mike deployment.
       - name: Check-out repository
         uses: actions/checkout@v5
         with:
-          fetch-depth: 0 # full history with tags; needed for mike to push/deploy docs
+          token: ${{ steps.app-token.outputs.token }}
 
       # Activate dark mode to create documentation with Plotly charts in dark mode
       # Need a better solution to automatically switch the chart colour theme based on the mkdocs material switcher
@@ -103,6 +111,8 @@ jobs:
       #    dark-mode on
       #    dark-mode status
 
+      # Set up the pixi package manager and install dependencies from pixi.toml.
+      # Uses frozen lockfile to ensure reproducible builds.
       - name: Set up pixi
         uses: prefix-dev/setup-pixi@v0.9.0
         with:
@@ -113,37 +123,43 @@ jobs:
           cache: false
           post-cleanup: false
 
+      # Install additional development dependencies (e.g., pre-commit hooks, dev tools).
       - name: Install and setup development dependencies
         shell: bash
         run: pixi run dev
 
+      # Clone shared documentation assets and branding resources from external repositories.
+      # These contain common MkDocs configuration, templates, stylesheets, and images.
       - name: Clone easyscience/assets-docs and easyscience/assets-branding
         run: |
           cd ..
           git clone https://github.com/easyscience/assets-docs.git
           git clone https://github.com/easyscience/assets-branding.git
 
+      # Copy assets from the cloned repositories into the docs/ directory.
+      # This includes stylesheets, images, templates, and other shared resources.
       - name: Add files from cloned repositories
         run: pixi run docs-assets
 
-      # Convert python scripts in the notebooks directory to Jupyter notebooks
-      # Strip output from the notebooks
-      # Prepare the notebooks for documentation (add colab cell, etc.)
-      # Run the notebooks to generate the output cells using multiple cores
-      # The notebooks are then used to build the documentation site
+      # Convert Python scripts in the tutorials/ directory to Jupyter notebooks.
+      # This step also strips any existing output from the notebooks and prepares
+      # them for documentation.
       - name: Convert tutorial scripts to notebooks
         run: pixi run notebook-prepare
 
-      # The following step is needed to avoid the following message during the build:
-      # "Matplotlib is building the font cache; this may take a moment"
+      # Pre-import the main package to trigger Matplotlib font cache building.
+      # This avoids "Matplotlib is building the font cache" messages during notebook execution.
       - name: Pre-build site step
         run: pixi run python -c "import easydiffraction"
 
-      # Run the notebooks to generate the output cells using multiple cores
+      # Execute all Jupyter notebooks to generate output cells (plots, tables, etc.).
+      # Uses multiple cores for parallel execution to speed up the process.
       - name: Run notebooks
         #  if: false # Temporarily disabled to speed up the docs build
         run: pixi run notebook-exec
 
+      # Move the executed notebooks to docs/tutorials/ directory
+      # so they can be included in the documentation site.
       - name: Move notebooks to docs/tutorials
         run: pixi run docs-notebooks
 
@@ -170,17 +186,24 @@ jobs:
           if-no-files-found: 'error'
           compression-level: 0
 
-      # Publish versioned docs with Mike (dev on branches, prod on tags)
-      # Configure git for pushing to gh-pages branch
+      # Configure git user for mike to commit and push to gh-pages branch.
       - name: Configure git for pushing
         run: |
-          git config user.name "github-actions[bot]"
-          git config user.email "41898282+github-actions[bot]@users.noreply.github.com"
+          git config user.name "easyscience[bot]"
+          git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
+
+      # Fetch the gh-pages branch to ensure mike has the latest remote state.
+      # This is required because the checkout step only fetches the source branch,
+      # not the gh-pages branch that mike needs to update.
+      - name: Fetch gh-pages branch
+        run: |
+          git fetch origin gh-pages:gh-pages 2>/dev/null || true
 
-      # Publish versioned docs with Mike. The tagged release docs go to
-      # the versioned prefix, e.g. /v1.2.3/, and also to /latest/.
-      # All other branches go to /dev/.
-      # "${RELEASE_VERSION#v}" for v0.8.3.post1 -> 0.8.3.post1
+      # Deploy versioned documentation using mike (MkDocs plugin for versioning).
+      # - For release tags (v*): deploys to versioned folder (e.g., /0.9.1/) and aliases to /latest/.
+      # - For branches: deploys to /dev/.
+      # The "${RELEASE_VERSION#v}" syntax strips the 'v' prefix (v0.9.1 -> 0.9.1).
+      # Also sets 'latest' as the default version for the version selector.
       - name: Rebuild and deploy docs with mike
         run: |
           if [[ "${IS_RELEASE_TAG}" == "true" ]]; then

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/.github/workflows/pypi-test.yaml

@@ -50,14 +50,12 @@ jobs:
           unzip ${DEFAULT_BRANCH}.zip -d .
           mkdir -p tests
           cp -r diffraction-lib-${DEFAULT_BRANCH}/tests/* tests/
+          cp diffraction-lib-${DEFAULT_BRANCH}/pytest.ini .
           rm -rf ${DEFAULT_BRANCH}.zip diffraction-lib-${DEFAULT_BRANCH}
 
       - name: Create the environment and install dependencies
         run: pixi install
 
-      - name: Install package from PyPI with all extras
-        run: pixi add --pypi "easydiffraction[all]"
-
       - name: Run unit tests to verify the installation
         run: pixi run unit-tests
 
@@ -71,7 +69,7 @@ jobs:
         run: |
           pixi run easydiffraction --version
           pixi run easydiffraction list-tutorials
-          pixi run easydiffraction fetch-tutorials
+          pixi run easydiffraction download-all-tutorials
 
       - name: Test tutorials as notebooks
         run: pixi run notebook-tests

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/.github/workflows/release-pr.yaml

@@ -1,10 +1,16 @@
-# This workflow creates an automated release PR from `develop` into `main`.
+# This workflow creates an automated release PR from `develop` into `master`.
 #
 # Usage:
 #   - Triggered manually via workflow_dispatch.
 #   - Creates a PR titled "Release: merge develop into master".
 #   - Adds the label "[maintainer] auto-pull-request" so it is excluded from changelogs.
 #   - The PR body makes clear that this is automation only (no review needed).
+#
+# Required repo config:
+# https://github.com/organizations/easyscience/settings/secrets/actions
+# https://github.com/organizations/easyscience/settings/variables/actions
+# - Actions secret:   EASYSCIENCE_APP_KEY  (GitHub App private key PEM)
+# - Actions variable: EASYSCIENCE_APP_ID   (GitHub App ID)
 
 name: Release PR (develop -> master)
 
@@ -13,7 +19,7 @@ on:
   workflow_dispatch:
 
 permissions:
-  contents: write
+  contents: read
   pull-requests: write
 
 # Set the environment variables to be used in all jobs defined in this workflow
@@ -24,10 +30,18 @@ jobs:
   create-pull-request:
     runs-on: ubuntu-latest
     steps:
+      - name: Create GitHub App installation token
+        id: app-token
+        uses: actions/create-github-app-token@v2
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
       - name: Checkout develop branch
         uses: actions/checkout@v5
         with:
           ref: develop
+          token: ${{ steps.app-token.outputs.token }}
 
       - name: Create PR from develop to ${{ env.DEFAULT_BRANCH }}
         run: |
@@ -36,8 +50,8 @@ jobs:
             --head develop \
             --title "Release: merge develop into ${{ env.DEFAULT_BRANCH }}" \
             --label "[maintainer] auto-pull-request" \
-            --body "⚠️ This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from \`develop\` into \`${{ env.DEFAULT_BRANCH }}\`.
+            --body "This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from \`develop\` into \`${{ env.DEFAULT_BRANCH }}\`.
 
             It is labeled \`[maintainer] auto-pull-request\` and is excluded from release notes and version bump logic."
         env:
-          GITHUB_TOKEN: ${{ secrets.GH_API_PERSONAL_ACCESS_TOKEN }}
+          GH_TOKEN: ${{ steps.app-token.outputs.token }}

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: easydiffraction
-Version: 0.9.1
+Version: 0.10.0
 Summary: Diffraction data analysis
 Project-URL: homepage, https://easydiffraction.org
 Project-URL: documentation, https://docs.easydiffraction.org/lib

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/src/easydiffraction/analysis/analysis.py

@@ -501,10 +501,23 @@ class Analysis:
         """Execute fitting using the selected mode, calculator and
         minimizer.
 
+        This method performs the optimization but does not display
+        results automatically. Call :meth:`show_fit_results` after
+        fitting to see a summary of the fit quality and parameter
+        values.
+
         In 'single' mode, fits each experiment independently. In
         'joint' mode, performs a simultaneous fit across experiments
         with weights.
-            Sets :attr:`fit_results` on success.
+
+        Sets :attr:`fit_results` on success, which can be accessed
+        programmatically
+        (e.g., ``analysis.fit_results.reduced_chi_square``).
+
+        Example::
+
+            project.analysis.fit()
+            project.analysis.show_fit_results()  # Display results
         """
         sample_models = self.project.sample_models
         if not sample_models:
@@ -554,6 +567,30 @@ class Analysis:
         # After fitting, get the results
         self.fit_results = self.fitter.results
 
+    def show_fit_results(self) -> None:
+        """Display a summary of the fit results.
+
+        Renders the fit quality metrics (reduced χ², R-factors) and a
+        table of fitted parameters with their starting values, final
+        values, and uncertainties.
+
+        This method should be called after :meth:`fit` completes. If no
+        fit has been performed yet, a warning is logged.
+
+        Example::
+
+            project.analysis.fit()
+            project.analysis.show_fit_results()
+        """
+        if not hasattr(self, 'fit_results') or self.fit_results is None:
+            log.warning('No fit results available. Run fit() first.')
+            return
+
+        sample_models = self.project.sample_models
+        experiments = self.project.experiments
+
+        self.fitter._process_fit_results(sample_models, experiments)
+
     def _update_categories(self, called_by_minimizer=False) -> None:
         """Update all categories owned by Analysis.
 

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/src/easydiffraction/analysis/fitting.py

@@ -37,6 +37,10 @@ class Fitter:
     ) -> None:
         """Run the fitting process.
 
+        This method performs the optimization but does not display
+        results. Use :meth:`show_fit_results` on the Analysis object
+        to display the fit results after fitting is complete.
+
         Args:
             sample_models: Collection of sample models.
             experiments: Collection of experiments.
@@ -66,15 +70,17 @@ class Fitter:
         # Perform fitting
         self.results = self.minimizer.fit(params, objective_function)
 
-        # Post-fit processing
-        self._process_fit_results(sample_models, experiments)
-
     def _process_fit_results(
         self,
         sample_models: SampleModels,
         experiments: Experiments,
     ) -> None:
-        """Collect reliability inputs and display results after fitting.
+        """Collect reliability inputs and display fit results.
+
+        This method is typically called by
+        :meth:`Analysis.show_fit_results` rather than directly. It
+        calculates R-factors and other metrics, then renders them to
+        the console.
 
         Args:
             sample_models: Collection of sample models.

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/src/easydiffraction/utils/logging.py

@@ -554,8 +554,8 @@ class ConsolePrinter:
     def section(cls, title: str) -> None:
         """Formats a section header with bold green text."""
         full_title = f'{title.upper()}'
-        line = '━' * len(full_title)
-        formatted = f'[bold green]\n{line}\n{full_title}\n{line}[/bold green]'
+        line = '—' * len(full_title)
+        formatted = f'[bold green]{line}\n{full_title}\n{line}[/bold green]'
         if not in_jupyter():
             formatted = f'\n{formatted}'
         cls._console.print(formatted)
@@ -566,7 +566,7 @@ class ConsolePrinter:
         and padding.
         """
         width = ConsoleManager._detect_width()
-        symbol = '─'
+        symbol = '—'
         full_title = f' {title.upper()} '
         pad_len = (width - len(full_title)) // 2
         padding = symbol * pad_len

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/tests/unit/easydiffraction/analysis/test_analysis.py

@@ -82,3 +82,56 @@ def test_fit_modes_show_and_switch_to_joint(monkeypatch, capsys):
     out2 = capsys.readouterr().out
     assert 'Current fit mode changed to' in out2
     assert a.fit_mode == 'joint'
+
+
+def test_show_fit_results_warns_when_no_results(capsys):
+    """Test that show_fit_results logs a warning when fit() has not been run."""
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names([]))
+
+    # Ensure fit_results is not set
+    assert not hasattr(a, 'fit_results') or a.fit_results is None
+
+    a.show_fit_results()
+    out = capsys.readouterr().out
+    assert 'No fit results available' in out
+
+
+def test_show_fit_results_calls_process_fit_results(monkeypatch):
+    """Test that show_fit_results delegates to fitter._process_fit_results."""
+    from easydiffraction.analysis.analysis import Analysis
+
+    # Track if _process_fit_results was called
+    process_called = {'called': False, 'args': None}
+
+    def mock_process_fit_results(sample_models, experiments):
+        process_called['called'] = True
+        process_called['args'] = (sample_models, experiments)
+
+    # Create a mock project with sample_models and experiments
+    class MockProject:
+        sample_models = object()
+        experiments = object()
+        _varname = 'proj'
+
+        class experiments_cls:
+            names = []
+
+        experiments = experiments_cls()
+
+    project = MockProject()
+    project.sample_models = object()
+    project.experiments.names = []
+
+    a = Analysis(project=project)
+
+    # Set up fit_results so show_fit_results doesn't return early
+    a.fit_results = object()
+
+    # Mock the fitter's _process_fit_results method
+    monkeypatch.setattr(a.fitter, '_process_fit_results', mock_process_fit_results)
+
+    a.show_fit_results()
+
+    assert process_called['called'], '_process_fit_results should be called'

easydiffraction-0.10.0/tests/unit/easydiffraction/analysis/test_fitting.py

@@ -0,0 +1,92 @@
+# SPDX-FileCopyrightText: 2021-2025 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-License-Identifier: BSD-3-Clause
+
+def test_module_import():
+    import easydiffraction.analysis.fitting as MUT
+
+    expected_module_name = 'easydiffraction.analysis.fitting'
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_fitter_early_exit_when_no_params(capsys, monkeypatch):
+    from easydiffraction.analysis.fitting import Fitter
+
+    class DummyCollection:
+        free_parameters = []
+
+        def __init__(self):
+            self._names = ['e1']
+
+        @property
+        def names(self):
+            return self._names
+
+    class DummyMin:
+        tracker = type('T', (), {'track': staticmethod(lambda a, b: a)})()
+
+        def fit(self, params, obj):
+            return None
+
+    f = Fitter()
+    # Avoid creating a real minimizer
+    f.minimizer = DummyMin()
+    f.fit(sample_models=DummyCollection(), experiments=DummyCollection())
+    out = capsys.readouterr().out
+    assert 'No parameters selected for fitting' in out
+
+
+def test_fitter_fit_does_not_call_process_fit_results(monkeypatch):
+    """Test that Fitter.fit() does not automatically call _process_fit_results.
+
+    The display of results is now the responsibility of Analysis.show_fit_results().
+    """
+    from easydiffraction.analysis.fitting import Fitter
+
+    process_called = {'called': False}
+
+    class DummyParam:
+        value = 1.0
+        _fit_start_value = None
+
+    class DummyCollection:
+        free_parameters = [DummyParam()]
+
+        def __init__(self):
+            self._names = ['e1']
+
+        @property
+        def names(self):
+            return self._names
+
+    class MockFitResults:
+        pass
+
+    class DummyMin:
+        tracker = type('T', (), {'track': staticmethod(lambda a, b: a)})()
+
+        def fit(self, params, obj):
+            return MockFitResults()
+
+        def _sync_result_to_parameters(self, params, engine_params):
+            pass
+
+    f = Fitter()
+    f.minimizer = DummyMin()
+
+    # Track if _process_fit_results is called
+    original_process = f._process_fit_results
+
+    def mock_process(*args, **kwargs):
+        process_called['called'] = True
+        return original_process(*args, **kwargs)
+
+    monkeypatch.setattr(f, '_process_fit_results', mock_process)
+
+    f.fit(sample_models=DummyCollection(), experiments=DummyCollection())
+
+    assert not process_called['called'], (
+        'Fitter.fit() should not call _process_fit_results automatically. '
+        'Use Analysis.show_fit_results() instead.'
+    )
+    assert f.results is not None, 'Fitter.fit() should still set results'

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/tests/unit/easydiffraction/utils/test_utils.py

@@ -189,6 +189,7 @@ def test_get_version_for_url_released(monkeypatch):
     assert MUT._get_version_for_url() == '0.8.0.post1'
 
 
+@pytest.mark.filterwarnings('ignore:Failed to fetch tutorials index:UserWarning')
 def test_fetch_tutorials_index_returns_empty_on_error(monkeypatch):
     import easydiffraction.utils.utils as MUT
 

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/tutorials/ed-1.py

@@ -60,6 +60,10 @@ project.experiments.add(cif_path=expt_path)
 # in the input CIF files, are refined by default.
 project.analysis.fit()
 
+# %%
+# Show fit results summary
+project.analysis.show_fit_results()
+
 # %%
 project.experiments.show_names()
 

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/tutorials/ed-10.py

@@ -83,6 +83,7 @@ project.experiments['pdf'].peak.sharp_delta_2.free = True
 # %%
 project.analysis.current_calculator = 'pdffit'
 project.analysis.fit()
+project.analysis.show_fit_results()
 
 # %% [markdown]
 # ## Plot Measured vs Calculated

{easydiffraction-0.9.1 → easydiffraction-0.10.0}/tutorials/ed-11.py

@@ -96,6 +96,7 @@ experiment.peak.sharp_delta_2.free = True
 # %%
 project.analysis.current_calculator = 'pdffit'
 project.analysis.fit()
+project.analysis.show_fit_results()
 
 # %% [markdown]
 # ## Plot Measured vs Calculated