release v0.2.1 preperation (#212)

* bump version

* pass json data

* CI setup

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* add coverage

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.github/workflows/test.yaml

@@ -0,0 +1,43 @@
+name: tests
+
+on:
+  push:
+    branches: [main]
+  pull_request:
+  schedule:
+    - cron: "14 3 * * 1" # at 03:14 on Monday.
+
+jobs:
+  pytest:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version:
+          - "3.11"
+          - "3.10"
+          - 3.9
+        os:
+          - ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v2
+      - name: Install Poetry
+        run: |
+          pipx install poetry
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v3
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: "poetry"
+      - name: Install package
+        run: |
+          poetry install --no-interaction
+      - name: Pytest
+        run: |
+          poetry run coverage run -m pytest -vv
+          poetry run coverage xml
+      - name: Upload coverage reports to Codecov
+        uses: codecov/codecov-action@v3
+        env:
+          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "zndraw"
-version = "0.2.0"
+version = "0.2.1"
 description = ""
 authors = ["zincwarecode <[email protected]>"]
 license = "Apache-2.0"
@@ -24,6 +24,8 @@ pandas = "^2.0.3"
 
 [tool.poetry.group.dev.dependencies]
 pre-commit = "^3.3.3"
+pytest = "^7.4.2"
+coverage = "^7.3.1"
 
 [build-system]
 requires = ["poetry-core"]

zndraw/app.py

@@ -131,7 +131,11 @@ def modifier_run(data):
     # modifier = available_methods[data["name"]](**data["params"])
     print(f"modifier:run {modifier = }")
     atoms_list = modifier.run(
-        atom_ids=data["selection"], atoms=atoms, points=points, segments=segments
+        atom_ids=data["selection"],
+        atoms=atoms,
+        points=points,
+        segments=segments,
+        json_data=data["atoms"] if "atoms" in data else None,
     )
     io.emit("atoms:clear", int(data["step"]) + 1)
     for idx, atoms in tqdm.tqdm(enumerate(atoms_list)):