Commit Graph

9019 Commits

Author SHA1 Message Date
Alexander Rose
93a3eba66d Merge pull request #1834 from molstar/fix-aromatic-ring-hybridization
Fix aromatic ring detection not accounting for hybridization
2026-05-30 21:43:10 -07:00
Alexander Rose
41b8584fb7 Merge branch 'master' of https://github.com/molstar/molstar into fix-aromatic-ring-hybridization 2026-05-30 21:40:31 -07:00
Alexander Rose
523b17dfde Merge pull request #1824 from sbittrich/master
Non-covalent interactions: detect and visualize water bridges
2026-05-30 21:38:35 -07:00
Alexander Rose
c47b4d6078 Merge pull request #1833 from molstar/cam-anim-params
Add axis param to camera spin/rock animation
2026-05-30 21:32:01 -07:00
Alexander Rose
b94073b96f Merge branch 'master' of https://github.com/molstar/molstar into cam-anim-params 2026-05-30 21:27:45 -07:00
Alexander Rose
905eb3ec2f add default for backwards compatibility 2026-05-30 21:26:28 -07:00
Sebastian
3ae72e5c60 generic bridge visuals 2026-05-29 10:55:48 +02:00
Alexander Rose
055dfd4946 Merge pull request #1840 from giagitom/fix-premul-rgb
Fix exported image artifacts on transparent background
2026-05-26 21:58:08 -07:00
Sebastian
2601d2ba63 decouple water bridges from hbond detection 2026-05-26 16:35:38 +02:00
Sebastian
340806d774 generalized support of interaction bridges 2026-05-26 16:06:14 +02:00
Sebastian
18ad848de2 Merge remote-tracking branch 'upstream/master'
# Conflicts:
#	CHANGELOG.md
2026-05-26 13:57:53 +02:00
giagitom
9de8334af5 Fix exported image artifacts on transparent background 2026-05-26 13:05:24 +02:00
Alexander Rose
57580a5e6b Merge pull request #1836 from giagitom/fix-cel-shading-ambient-color
Fix cel-shaded ambient color being stripped to luminance
2026-05-23 21:50:07 -07:00
giagitom
7da4a85459 Fix cel-shaded ambient color being stripped to luminance 2026-05-19 16:43:00 +02:00
Alexander Rose
b7c380fd90 Merge branch 'master' of https://github.com/molstar/molstar into fix-aromatic-ring-hybridization 2026-05-17 22:21:57 -07:00
Alexander Rose
bcd304d058 header 2026-05-17 22:19:04 -07:00
Alexander Rose
fd50a8f8e0 Fix aromatic ring detection not accounting for hybridization 2026-05-17 22:17:55 -07:00
Alexander Rose
27f251e8e4 Merge pull request #1832 from molstar/ssao-multi-fix
Fix SSAO half/quarter resolution textures for multi-scale
2026-05-17 20:15:09 -07:00
Alexander Rose
8d2a44983e remove superfluous enableAnimation param 2026-05-16 22:29:55 -07:00
Alexander Rose
f806ac1444 Add axis param to camera spin/rock animation 2026-05-16 22:25:55 -07:00
Alexander Rose
63a585d88a Merge pull request #1830 from josemduarte/ms-fix-omitwater
Fix ModelServer bugs for omitWater param in surroundingLigands endpoint
2026-05-16 22:24:58 -07:00
Alexander Rose
a4b5a16fcd Merge branch 'master' into ms-fix-omitwater 2026-05-16 22:22:42 -07:00
Alexander Rose
86bf859a63 Fix SSAO half/quarter resolution textures for multi-scale 2026-05-16 22:15:12 -07:00
Alexander Rose
1b8117d3f1 Fix Volume and Isosurface getBoundingSphere ignoring instances 2026-05-10 17:18:18 -07:00
Alexander Rose
400e2bbc45 Merge pull request #1822 from corredD/codex/dot-morton-spheres 2026-05-10 08:42:22 -07:00
Jose Duarte
e2e26c7e9c Updating changelog 2026-05-09 22:28:38 -07:00
Jose Duarte
5ca9020cbf mol-model: fix water leak in surroundingLigands query
Co-Authored-By: Claude Opus 4.7 <noreply@anthropic.com>
2026-05-09 22:21:49 -07:00
Jose Duarte
ea4c411d5c model-server: fix omit_water boolean parsing for REST GET requests
Co-Authored-By: Claude Opus 4.7 <noreply@anthropic.com>
2026-05-09 22:21:49 -07:00
Alexander Rose
ba7e3fe827 Merge branch 'master' of https://github.com/molstar/molstar into pr/corredD/1822 2026-05-09 16:03:21 -07:00
Alexander Rose
8f20571a17 Merge pull request #1827 from molstar/camera-changed-event
Camera helpers
2026-05-09 16:02:30 -07:00
Alexander Rose
c25a4247e6 Merge branch 'master' of https://github.com/molstar/molstar into camera-changed-event 2026-05-09 15:57:47 -07:00
Alexander Rose
1071d3d8ba Merge pull request #1828 from molstar/instance-granularity-improvements
Instance granularity improvements
2026-05-09 15:56:36 -07:00
Alexander Rose
e8dc046570 Merge branch 'master' of https://github.com/molstar/molstar into instance-granularity-improvements 2026-05-09 15:54:00 -07:00
Alexander Rose
27f9c2aa67 Merge pull request #1829 from molstar/mesoscale-preset
Mesoscale preset
2026-05-09 15:53:29 -07:00
Alexander Rose
a4962231c8 revert 2026-05-09 15:51:05 -07:00
Alexander Rose
8833f29ce5 Merge branch 'master' of https://github.com/molstar/molstar into mesoscale-preset 2026-05-09 15:44:01 -07:00
Alexander Rose
40b6038380 type tweak 2026-05-09 15:43:04 -07:00
Armando Pellegrini
59e16e0187 Fix State.dispose() not invoking transformer dispose for live cells (#1826)
`Transformer.Definition.dispose` is documented as "automatically called
on deleting an object," but `State.dispose()` only disposed its own event
subjects and action manager — it never iterated still-live cells to call
their per-transformer dispose. Cells holding GL buffers, mesh data, etc.
only had their dispose fired on explicit deletion (e.g. `clear()`), so
any consumer that called `plugin.dispose()` without first awaiting
`plugin.clear()` retained the callback chain, the GL buffers it points
at, and any closures captured by it.

In a long-running single-page app where the user navigates between
routes that mount/unmount a Mol* viewer, this leaked roughly 25–50 MB
of process RSS per cycle even with `plugin.dispose()` correctly called.
A 20-cycle E2E mount/unmount harness on a 1AKE structure measured a
+541 MB RSS / +266 MB JS-heap delta in the unconditional-`dispose()`
case; calling `await plugin.clear()` before `plugin.dispose()` halved
the residual leak, confirming the per-cell dispose path was missing on
the unconditional `dispose()` route.

This change walks the cell tree once (post-order via the existing
`StateTree.doPostOrder` helper) and invokes the per-transformer dispose
for every still-live cell, swallowing+warning on errors so a single
faulty transformer can't prevent siblings from cleaning up. The
existing per-cell `dispose` helper is reused for consistency with
`updateNode`/`findDeletes` semantics.

Tests cover: chained transformers, sibling subtrees, throwing-dispose
isolation, and transformers without a dispose definition.

Also adds `useDefineForClassFields: false` to the jest esbuild
transform so tests can construct `State` (the `TransientTree` parameter
property + class field pattern relies on legacy class-field semantics,
which `tsc` honors via `target: es2018` but esbuild's default `esnext`
target does not).

Fixes #1825

Co-authored-by: Armando Pellegrini <tech.tools@boltz.bio>
2026-05-09 22:17:38 +02:00
Alexander Rose
ca5a50bd53 changelog 2026-05-09 12:36:38 -07:00
Alexander Rose
bccf54fabe avoid extra allocations 2026-05-09 12:36:32 -07:00
Alexander Rose
57a790544c Add mesoscale representation preset 2026-05-09 12:31:26 -07:00
Alexander Rose
df0669598c Add presets option to ObjectList param definition 2026-05-09 12:31:11 -07:00
Alexander Rose
fb912036af Merge branch 'master' of https://github.com/molstar/molstar into pr/corredD/1822 2026-05-09 08:25:26 -07:00
Alexander Rose
9efb5cd126 Add Camera.changed event and rotation/translation setter/getter 2026-05-09 08:24:26 -07:00
Alexander Rose
08a56ad6ab Instance granularity improvements
- Add `instanceGranularity: 'auto'` as a memory guard
- Honor `instanceGranularity` in `Visual.getLoci`
2026-05-09 08:10:58 -07:00
Sebastian
2c2bd6adda tweak wb labels 2026-05-06 16:06:33 +02:00
Sebastian
b010298acb fix merge 2026-05-06 15:27:45 +02:00
Sebastian
7033a1e0b2 Merge remote-tracking branch 'upstream/master'
# Conflicts:
#	CHANGELOG.md
2026-05-06 15:23:35 +02:00
Sebastian
8ad617acdf fix refinement 2026-05-06 15:20:34 +02:00
Sebastian
31ab6aa93e iterator improv 2026-05-06 11:32:50 +02:00