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chore(deps): bump @molcrafts/molrs to 0.0.14 + io/overlay/runtime cleanup#20

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Roy-Kid merged 2 commits into
MolCrafts:masterfrom
Roy-Kid:feat/molrs-0.0.14-and-cleanup
Apr 26, 2026
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chore(deps): bump @molcrafts/molrs to 0.0.14 + io/overlay/runtime cleanup#20
Roy-Kid merged 2 commits into
MolCrafts:masterfrom
Roy-Kid:feat/molrs-0.0.14-and-cleanup

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@Roy-Kid Roy-Kid commented Apr 26, 2026

Summary

  • Bumps @molcrafts/molrs from ^0.0.12 to ^0.0.14. The only breaking
    change in 0.0.13 is the LAMMPSDumpReader rename to LAMMPSTrajReader;
    this PR adopts the new name in core/src/io/reader.ts and
    core/tests/test_wasm.ts.
  • Bundles the in-flight refactors that grew alongside the bump so master
    lands in one coherent state instead of two interleaved series.

Changes by area

@molcrafts/molvis-core

  • io: replace normalize_coords with a column-based atom_coords
    helper plus a lazy frame reader (lazy_reader.test.ts,
    data_source_modifier.test.ts).
  • overlays: revamp the mark_atom overlay flow (composite mark + new
    types).
  • commands: refactor commands/index, frame, mark_atom, and
    place_molecule around the updated entity_source / scene_index
    plumbing.
  • rpc: move buildFrame / buildBox tests from page/ to
    core/tests/serialization.test.ts, where the helpers actually live
    since b5dca14 (recovers coverage that was orphaned at that move).
  • Misc trajectory / scene-index / modifier / pipeline cleanup.

vsc-ext

  • Split pathUtils.ts into pure helpers (type-only vscode import) and
    a new activeUri.ts that owns the runtime vscode.window dependency.
    This lets pathUtils unit tests load outside the extension host.
  • Tighten tsconfig.test.json include glob so it only pulls in files
    the unit tests actually exercise — fixes the rootDir violation
    triggered by @molvis/core/io/formats resolving to core/src/io/.
  • Rename rslib.{extension,webview}.config.ts.mts for proper ESM
    resolution.

page

  • Drop the orphaned test_wasm_serialization.ts (the helpers moved to
    core in b5dca14). Add --passWithNoTests so an empty page test suite
    exits cleanly.

molvis (Python)

  • New molvis.runtime module + tests.
  • scene / commands/overlay / commands/catalog updates wired
    through to the new runtime.
  • Drop the install_widget_stubs leftover from test_control /
    test_video (the modules they import no longer require it).

Tooling

  • biome.json: ignore .venv, .rslib, out, out-test so a fresh
    checkout matches the CI environment.
  • Format package.json per Biome's expectation (workspaces array
    inline).

Test plan

  • npx biome check — 0 errors, 14 warnings (all configured warn)
  • npm run typecheck — core + page + vsc-ext all green
  • npm run test:core — 382 / 382 passed
  • npm run test:vsc-ext — 6 / 6 passed (mocha unit tests now load
    the split pathUtils without vscode runtime)
  • npm run test:python — 98 passed, 2 skipped (PIL / ffmpeg
    optional)
  • npm run build:all — core dist + page bundle (→
    python/src/molvis/dist/) + vsc-ext extension & webview all
    green; molrs_bg.wasm bundled at the new 0.0.14 SHA.

🤖 Generated with Claude Code

Roy-Kid and others added 2 commits April 26, 2026 15:02
…anup

Bump @molcrafts/molrs ^0.0.12 → ^0.0.14 across the workspace and rebuild
package-lock.json. The only breaking change in molrs 0.0.13 is the
LAMMPSDumpReader rename to LAMMPSTrajReader; reader.ts and test_wasm.ts
adopt the new name. Beyond the bump, this batches in-flight refactors
that landed alongside the upgrade so master has a single coherent
state.

core
  - io: replace normalize_coords with a column-based atom_coords helper
    and a lazy frame reader, with new tests
  - overlays: revamp mark_atom overlay flow + types/composite mark
  - commands: refactor commands/index, frame, mark_atom, place_molecule
    around the new entity_source / scene_index plumbing
  - rpc: move buildFrame/buildBox tests from page/ to core/tests, where
    the helpers actually live since b5dca14
  - misc: trajectory, scene_index, modifiers (slice/wrap PBC),
    pipeline/data_source_modifier touch-ups

vsc-ext
  - split pathUtils into pure helpers (type-only vscode import) and a
    new activeUri.ts that owns the runtime vscode.window dependency,
    so unit tests can load pathUtils outside the extension host
  - tighten tsconfig.test.json include glob to only the files unit
    tests need (fixes rootDir / @molvis/core resolution)
  - rename rslib config files .ts → .mts for proper ESM resolution

page
  - drop the orphaned test_wasm_serialization (helpers moved to core);
    pass --passWithNoTests so the empty test suite exits clean

python
  - new molvis.runtime module + tests
  - overlay/scene/catalog updates wired through to the new runtime
  - drop the install_widget_stubs leftover from test_control/test_video

tooling
  - biome: ignore .venv, .rslib, out, out-test (CI-clean checkout
    matches local DX); fix package.json formatting

Verification
  - npx biome check: 0 errors, 14 warnings (all configured warn)
  - npm run typecheck: core + page + vsc-ext all green
  - npm run test:core: 382/382
  - npm run test:vsc-ext: 6/6
  - npm run test:python: 98 passed, 2 skipped (PIL/ffmpeg optional)
  - npm run build:all: core dist + page bundle + vsc-ext extension &
    webview all green

Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
Bumps all workspaces (core, page, vsc-ext, root, python) from 0.0.4 to 0.0.5
and reconciles package-lock.json. Also narrows the page right sidebar's
default width from 21% to 13% (with minSize 14% → 10% so the new default
isn't clamped).

v0.0.4 only partially shipped: PyPI and the VS Marketplace published, but
the npm core release failed three times due to a package-lock.json drift
that was fixed afterwards by MolCrafts#19. Re-tagging v0.0.4 cannot recover that
because PyPI/Marketplace reject same-version republishes — 0.0.5 is the
first version number where all three platforms can land aligned.
@Roy-Kid Roy-Kid merged commit 7fd4324 into MolCrafts:master Apr 26, 2026
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