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Finish viewer and calculation workflows#242

Merged
newtontech merged 7 commits into
masterfrom
agent/issue-238-viewer-workflows
Jul 16, 2026
Merged

Finish viewer and calculation workflows#242
newtontech merged 7 commits into
masterfrom
agent/issue-238-viewer-workflows

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@newtontech

@newtontech newtontech commented Jul 16, 2026

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Summary

  • ship the production 3Dmol viewer editing surface with constraints, undo/redo, supercells, trajectories, export, and bounded source writeback
  • wire the viewer through the compute worker, structure cache, and incremental parser; keep full editing through 10,000 atoms and use deterministic read-only LOD above that threshold
  • connect calculator, Jobs, analyzer, result, cancellation, restart, trajectory, and export paths to real handlers
  • vendor required visualization runtime assets, verify them in the packaged VSIX, and add desktop/narrow source and packaged visual smoke coverage
  • incorporate the completed issue Harden the newtontech.openqc 0.0.1 release and dependency pipeline #236 release pipeline through d14151c so package identity and release gates stay consistent
  • synchronize README, CHANGELOG, and agent memory with the shipped behavior

Tests

  • make format
  • make lint (passes with one existing non-error curly warning in src/agent/OpenQCToolRegistry.ts)
  • make typecheck
  • make test (95 suites, 1712 passed, 2 skipped; 91.26% statements)
  • make check (including production audit: 0 vulnerabilities)
  • Python bridge unittest discovery (27 passed)
  • VSIX package + verification (596 files, 2.92 MiB)
  • release checksum and CycloneDX SBOM generation
  • source desktop/narrow visual smoke
  • packaged VSIX desktop/narrow visual smoke

Local validation ran on the available Node 26 runtime because the installed Node 22 binary was killed by the host before startup; CI and release workflows enforce Node 22.

Fixes #238

@newtontech
newtontech merged commit 5a1c109 into master Jul 16, 2026
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Finish large-structure viewer and calculation workflow integration

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