add tests and github workflow

superstar54 · Feb 23, 2024 · d52e2c7 · d52e2c7
1 parent 04d2839
commit d52e2c7
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Showing 15 changed files with 650 additions and 31 deletions.
diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml
@@ -0,0 +1,119 @@
+name: Test
+
+on: [push, pull_request]
+
+jobs:
+  docs:
+    name: Documentation
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: 3.11
+          cache: 'pip'
+          cache-dependency-path: |
+            **/requirements*.txt
+      - name: Install dependencies
+        run: |
+          sudo apt-get install -y pandoc
+          python -m pip install --upgrade pip
+          python -m pip install -e .
+          python -m pip install -r ./docs/requirements.txt
+      - name: Build docs
+        run: |
+          cd docs/source
+          python -m sphinx -T -E -b html -d ../build/doctrees -D language=en . ../build/html
+
+  python:
+    name: Python
+    runs-on: ubuntu-latest
+    strategy:
+      max-parallel: 4
+      matrix:
+        python-version: ['3.8', '3.9', '3.10', '3.11']
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: 'pip'
+          cache-dependency-path: |
+            **/setup.cfg
+            **/requirements*.txt
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e .
+          pip install "pytest<8"
+      - name: Test with pytest
+        run: |
+          cd tests
+          pytest
+
+
+  ui-test:
+    name: Visual Regression
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.11'
+          cache: 'pip'
+          cache-dependency-path: |
+            **/setup.cfg
+            **/requirements*.txt
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          python -m pip install -U jupyterlab==4.0.0 jupyter-packaging~=0.10
+          pip install -e .
+
+      - name: Install Test Dependencies
+        run: |
+          jlpm --immutable
+          npx playwright install chromium
+        working-directory: ui-tests
+
+      - name: Execute integration tests
+        shell: bash -l {0}
+        working-directory: ui-tests
+        run: |
+          npx playwright test
+
+      - name: Upload Playwright Test assets
+        if: always()
+        uses: actions/upload-artifact@v3
+        with:
+          name: test-assets
+          path: |
+            ui-tests/test-results
+
+      - name: Upload Playwright Test report
+        if: always()
+        uses: actions/upload-artifact@v3
+        with:
+          name: test-report
+          path: |
+            ui-tests/playwright-report
+
+      - name: Update snapshots
+        if: failure()
+        working-directory: ui-tests
+        run: |
+          jlpm test:update
+
+      - name: Upload updated snapshots
+        if: failure()
+        uses: actions/upload-artifact@v3
+        with:
+          name: updated-snapshots
+          path: ui-tests/tests
diff --git a/.gitignore b/.gitignore
@@ -128,9 +128,37 @@ dmypy.json
 # Pyre type checker
 .pyre/
 
+# javascript
+docs/man/*.gz
+docs/source/api/generated
+docs/source/.cache
+*.doit.db
+_contents
+node_modules
+*.py[co]
+__pycache__
+*.egg-info
+*~
+*.bak
+.ipynb_checkpoints
+.tox
+.DS_Store
+\#*#
+.#*
+.coverage
+.xunit.xml
+.tern-project
+npm-debug.log
+.pytest_cache
+.vscode/*
+!.vscode/extensions.json
+
 #
 *.pdf
 tests/work
 /tests/**/*.png
 *.xyz
 test.ipynb
+
+tests/notebooks/test-results
+tests/notebooks/playwright-report
diff --git a/docs/source/index.rst b/docs/source/index.rst
@@ -21,6 +21,7 @@ A widget to visualize and interact with atomistic structures in Jupyter Notebook
    measurement
    isosurface
    vector_field
+   selection
 
 
 Indices and tables

diff --git a/docs/source/isosurface.rst b/docs/source/isosurface.rst
@@ -34,6 +34,6 @@ For the ``isoSetting``:
    - mode=other: Only the given isosurface is drawn.
 
 
-.. tips::
+.. tip::
 
    Support for multiple isosurfaces with individual properties (isovalue and color).
diff --git a/examples/example.ipynb b/examples/example.ipynb
@@ -12,22 +12,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 1,
    "id": "e37d2ab4",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "eef4e918f93c44799cb17074cf84a5a2",
+       "model_id": "d31269ccc1ae420d9df9e9e437141111",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
        "WeasWidget(atomScales=[1, 1, 1, 1, 1, 1, 1, 1, 1, 1], atoms={'species': {'S': ['S', 16], 'O': ['O', 8], 'C': […"
       ]
      },
-     "execution_count": 4,
+     "execution_count": 1,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -76,7 +76,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 2,
    "id": "40d7764b",
    "metadata": {},
    "outputs": [
@@ -86,7 +86,7 @@
        "Atoms(symbols='SOC2H6', pbc=False)"
       ]
      },
-     "execution_count": 5,
+     "execution_count": 2,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -129,7 +129,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 3,
    "id": "add547b0",
    "metadata": {},
    "outputs": [],
@@ -149,7 +149,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 4,
    "id": "c2dddf63",
    "metadata": {},
    "outputs": [],
@@ -169,7 +169,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 5,
    "id": "d53f98f5-5683-438e-9393-04900505f0f8",
    "metadata": {
     "tags": []
@@ -191,7 +191,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": 6,
    "id": "c4dcca10-f4b5-4495-8767-24f844e9e760",
    "metadata": {
     "tags": []
@@ -203,7 +203,7 @@
        "[]"
       ]
      },
-     "execution_count": 9,
+     "execution_count": 6,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -222,7 +222,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 7,
    "id": "05651abf-6e18-43a6-a653-709f8c72bb27",
    "metadata": {},
    "outputs": [],
@@ -241,22 +241,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 8,
    "id": "d362b850-867b-4784-83f1-a92eb1372df0",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "8d084ebe9d104ec8bab0f5f889ec1ada",
+       "model_id": "d3547ce9f65741319b4d584c3c85fcd9",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
        "WeasWidget(atomScales=[1, 1, 1, 1, 1, 1], atoms={'species': {'Ti': ['Ti', 22], 'O': ['O', 8]}, 'cell': [4.6532…"
       ]
      },
-     "execution_count": 11,
+     "execution_count": 8,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -287,22 +287,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 9,
    "id": "532678cc-afb6-4262-bcb7-2cf3bde67e87",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "bd97be30828849d9a1e746c1146a0974",
+       "model_id": "0bcfba23318e40fc88ea0f97f77353ae",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
        "WeasWidget(atomScales=[1, 1, 1, 1, 1, 1, 1, 1, 1, 1], atoms=[{'species': {'S': ['S', 16], 'O': ['O', 8], 'C': …"
       ]
      },
-     "execution_count": 12,
+     "execution_count": 9,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -333,22 +333,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 10,
    "id": "e5380bfa-2d6f-4961-8a15-9eb7bd64c54e",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "0e7658976e9d4f80aa1dc610473b15b3",
+       "model_id": "cc79055786c84dbdacbd346ca6460e17",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
        "WeasWidget(atomScales=[1, 1, 1], atoms={'species': {'O': ['O', 8], 'H': ['H', 1]}, 'cell': [10.222218836840568…"
       ]
      },
-     "execution_count": 1,
+     "execution_count": 10,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -375,22 +375,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 11,
    "id": "aa2ade62-65e6-49cc-8721-124f57b1e9ce",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "98ddae9e23ac4a04a309ba8238e969e8",
+       "model_id": "5990e1ae9d464efeacf998e1f0ed940a",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
        "WeasWidget(atomScales=[1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1], atoms={'species': {'…"
       ]
      },
-     "execution_count": 2,
+     "execution_count": 11,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -408,12 +408,21 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 59,
+   "execution_count": 14,
    "id": "fdb10de0-e02b-4488-a710-d81303a490d7",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Atoms(symbols='Au16C2H4', pbc=False, cell=[[5.769991334482228, 0.0, 0.0], [2.884995667241114, 4.996959075277683, 0.0], [0.0, 0.0, 17.066767294881018]])\n"
+     ]
+    }
+   ],
    "source": [
     "au111_co = viewer.to_ase()\n",
+    "print(au111_co)\n",
     "au111_co.write(\"au111_co.xyz\")"
    ]
   },