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106 Commits

Author SHA1 Message Date
Alexander Rose
2b2dfd9245 4.4.0 2024-06-30 15:35:36 -07:00
Alexander Rose
678790efa3 changelog 2024-06-30 15:32:59 -07:00
Alexander Rose
a121c5e2cd fix missing unit.kind check 2024-06-30 13:31:09 -07:00
Alexander Rose
47b242244e schema updates 2024-06-30 13:25:30 -07:00
Alexander Rose
2b9d3fd33a packge updates 2024-06-30 13:25:18 -07:00
Alexander Rose
81404036a2 Merge pull request #1182 from corredD/driver_tour
Mesoscale Explorer Driver tour
2024-06-30 13:15:40 -07:00
Alexander Rose
e2dc15cf0f cleanup, fixes & changelog 2024-06-30 13:14:58 -07:00
Ludovic Autin
365a91879f clean up 2024-06-30 10:10:06 -07:00
Ludovic Autin
e47e0eb51a Merge branch 'master' into driver_tour 2024-06-30 10:02:31 -07:00
Alexander Rose
390046e38f Merge pull request #1184 from JonStargaryen/master
Remove support for density data from edmaps.rcsb.org
2024-06-29 22:27:01 -07:00
Sebastian Bittrich
b8eb5191a2 rm support for edmaps.rcsb.org, closes #1127 2024-06-28 11:16:53 -07:00
ludovic autin
4cc416ca28 driver is in the extra folder of molstar.github.io 2024-06-27 11:38:30 -07:00
ludovic autin
f4b2458390 Merge branch 'master' into driver_tour 2024-06-27 10:02:39 -07:00
David Sehnal
1cad6eef74 doNotDisposeCanvas3DContext option in PluginContext.dispose (#1180)
* doNotDisposeCanvas3DContext option in PluginContext

* header
2024-06-27 15:45:05 +02:00
Alexander Rose
2923be6006 Merge pull request #1175 from corredD/list_tours
file holdng the molx available tour.
2024-06-26 21:26:14 -07:00
ludovic autin
70959641a1 Merge branch 'master' into driver_tour
# Conflicts:
#	src/apps/mesoscale-explorer/ui/panels.tsx
#	src/apps/mesoscale-explorer/ui/states.tsx
2024-06-26 10:35:43 -07:00
ludovic autin
051608f56c file holdng the molx available tour. 2024-06-24 13:13:32 -07:00
Alexander Rose
71c1a4e85b Merge pull request #1167 from corredD/ME_quick_style
Mesoscale Explorer Quick Style
2024-06-23 22:30:13 -07:00
Alexander Rose
ba06c9e413 changelog 2024-06-23 22:29:23 -07:00
Ludovic Autin
8e4dfd1ffd default collapsed for structure measurement like the quickstyle. 2024-06-23 17:59:53 -07:00
Ludovic Autin
fac8aa529f spelling + shiny style 2024-06-23 17:51:57 -07:00
Ludovic Autin
d35b4b5e62 Merge branch 'master' into ME_quick_style 2024-06-23 17:13:38 -07:00
Alexander Rose
dd1789478b Merge pull request #1161 from corredD/me_snapshot_descrption
Mesoscale Explorer Snapshot Description
2024-06-23 17:01:33 -07:00
Alexander Rose
af27a00a01 changelog 2024-06-23 17:00:55 -07:00
Ludovic Autin
17cea8f99c not sure why this changes was not in the merge. 2024-06-23 16:14:14 -07:00
Ludovic Autin
4f6d5a7dc7 Merge branch 'master' into me_snapshot_descrption
# Conflicts:
#	src/apps/mesoscale-explorer/ui/panels.tsx
use custom snapshotDescription
2024-06-23 16:08:23 -07:00
ludovic autin
857972653e Merge branch 'molstar:master' into ME_quick_style 2024-06-23 15:47:32 -07:00
Alexander Rose
98ff0f5c55 Merge pull request #1169 from molstar/customize-snapshot-desc
Ability to customize snapshot description component
2024-06-23 15:20:13 -07:00
Alexander Rose
43803a91ea Merge pull request #1170 from molstar/cel-shading-artifacts
cel-shading artifacts
2024-06-23 15:19:13 -07:00
Alexander Rose
8a1bab8bcb Merge pull request #1171 from giagitom/clean_solidInterior_transparent_cylinders
Clean solid interior transparent cylinders
2024-06-23 15:18:55 -07:00
Ludovic Autin
17a47faaff Merge branch 'master' into ME_quick_style2
# Conflicts:
#	src/apps/mesoscale-explorer/ui/panels.tsx
2024-06-23 15:10:14 -07:00
Ludovic Autin
f793167e91 cleanup, fix cel-shading spelling 2024-06-23 15:06:16 -07:00
giagitom
d1c2c8e837 Updated headers and changelog 2024-06-23 23:42:27 +02:00
giagitom
5d7ef8196e Merge branch 'master' of https://github.com/molstar/molstar into clean_solidInterior_transparent_cylinders 2024-06-23 23:39:21 +02:00
giagitom
e0715cbf5c clean solidInterior transparent cylinders 2024-06-23 23:33:11 +02:00
Alexander Rose
1af8522de3 cel-shading artifacts
- clamp metalness & roughness to look better
2024-06-23 14:30:53 -07:00
Alexander Rose
c6becd5741 Merge pull request #1166 from corredD/ME_select_behavior
Mesoscale Explorer mouse select behavior
2024-06-23 14:06:58 -07:00
Alexander Rose
0ca368f29f changelog 2024-06-23 14:06:45 -07:00
Alexander Rose
5039a448ad cleanup 2024-06-23 13:44:23 -07:00
Ludovic Autin
9ef38f02c9 code fix, and make sure style stay when changing color scheme in the tree. 2024-06-23 10:41:00 -07:00
dsehnal
66f4ff1140 fix types 2024-06-23 18:48:25 +02:00
dsehnal
cc077656a9 ability to customize snapshot description component 2024-06-23 18:30:31 +02:00
Ludovic Autin
3ef1a2ec0a remove gamma, and use exposure instead. Expose renderer/trackball advance settings in left panel.
only expose couple of quick-style.
2024-06-22 13:04:31 -07:00
ludovic autin
144bf6954e apply gamma only if > 1 2024-06-21 11:39:40 -07:00
ludovic autin
50e5538148 - Fixed shadow fallof
- Add Gamma effect
- Quick Style UI default / illustrative cell shading / DOF plastic
2024-06-21 11:32:13 -07:00
ludovic autin
efe95f92c7 also added the StructureMeasurementsControls in the right panel below the selection. 2024-06-21 10:16:06 -07:00
ludovic autin
09f858a755 mouse left click on label with snapsot key load the snapshot. mouse hover label with protein name highlight entities with the same name 2024-06-21 09:48:51 -07:00
ludovic autin
e7082d4ccc focusinfo and other ID 2024-06-19 10:44:19 -07:00
ludovic autin
732a8f4bd0 Merge branch 'master' into driver_tour
# Conflicts:
#	src/apps/mesoscale-explorer/ui/entities.tsx
#	src/apps/mesoscale-explorer/ui/panels.tsx
2024-06-19 10:00:32 -07:00
ludovic autin
82ca06b29e use MesoMarkdownAnchor for the focusInfo 2024-06-19 09:26:01 -07:00
ludovic autin
a05429f13f Merge branch 'master' into me_snapshot_descrption
# Conflicts:
#	src/apps/mesoscale-explorer/data/state.ts
#	src/apps/mesoscale-explorer/ui/entities.tsx
#	src/apps/mesoscale-explorer/ui/panels.tsx
2024-06-19 09:21:29 -07:00
Alexander Rose
377de7ad40 Merge pull request #1118 from giagitom/quantized-light
Add quantized lighting option
2024-06-18 21:50:48 -07:00
Alexander Rose
74f4d00c8d changelog 2024-06-18 21:50:21 -07:00
Alexander Rose
be3825372e lint fix 2024-06-18 21:47:12 -07:00
Alexander Rose
d62c5c9050 Merge pull request #1157 from corredD/me_selection_description
Mesoscale explorer entities selection description
2024-06-18 21:45:21 -07:00
ludovic autin
9ba5112beb revert base css class, create the custom css class in me app style.css .msp-snapshot-description-me 2024-06-17 10:15:16 -07:00
ludovic autin
048658ee39 min,max text size 2024-06-17 09:50:42 -07:00
ludovic autin
2918081dd9 Merge branch 'master' into me_selection_description 2024-06-17 09:43:03 -07:00
ludovic autin
1a67868c07 Merge branch 'master' into me_snapshot_descrption 2024-06-17 09:42:35 -07:00
Alexander Rose
525dfaddd2 add cel-shading
- celShaded geometry parameter
- celSteps renderer parameter
2024-06-16 12:45:06 -07:00
Alexander Rose
8aa12c0d31 Merge branch 'master' of https://github.com/molstar/molstar into pr/giagitom/1118 2024-06-15 14:25:47 -07:00
Alexander Rose
8cb464a686 Merge pull request #1159 from molstar/plddt-bfactor
support reading score from B-factor in pLDDT color theme
2024-06-15 14:24:09 -07:00
Alexander Rose
e0371d7e32 Update src/extensions/model-archive/quality-assessment/color/plddt.ts
Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-15 14:22:43 -07:00
Ludovic Autin
e7da6bc194 duplicate preventDefault, rename function 2024-06-15 10:32:14 -07:00
ludovic autin
933869b5e1 Update src/apps/mesoscale-explorer/ui/entities.tsx
Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-15 10:21:19 -07:00
Ludovic Autin
5d6adc46fe simplify get info(). fix import 2024-06-15 10:08:00 -07:00
ludovic autin
b8a98efcaf Update src/apps/mesoscale-explorer/ui/entities.tsx
Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-15 10:03:58 -07:00
ludovic autin
53b358f70a Update src/apps/mesoscale-explorer/ui/entities.tsx
Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-15 10:03:34 -07:00
ludovic autin
bce9e5b0ad Update src/apps/mesoscale-explorer/data/mmcif/model.ts
Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-15 10:03:06 -07:00
ludovic autin
cf7f9d6aba lint 2024-06-14 11:05:02 -07:00
ludovic autin
6af1bc5def snapshot description customized component to support more advanced markdown command for highlighting and selection 2024-06-14 10:57:00 -07:00
ludovic autin
936808e271 using driver.js 1.3.1 design an introductory tour of the user interface. 2024-06-14 10:30:54 -07:00
ludovic autin
8b985d0424 rename the descriptino holder; separate from the selection UIComponent and create its own component. Change its position to below the tree. 2024-06-14 09:40:05 -07:00
ludovic autin
b290cf121a Merge branch 'master' into me_selection_description 2024-06-14 08:57:30 -07:00
Alexander Rose
89df6cec42 support reading score from B-factor in pLDDT color theme 2024-06-13 23:28:14 -07:00
Alexander Rose
fc5fc7fcdb Merge pull request #1134 from molstar/occlusion-fixes
fixes for SSAO edge artifacts
2024-06-13 23:22:17 -07:00
Alexander Rose
a1de5bb304 Merge branch 'master' of https://github.com/molstar/molstar into occlusion-fixes 2024-06-13 23:17:14 -07:00
Alexander Rose
25c8a41e91 selection description tweaks 2024-06-13 22:54:34 -07:00
ludovic autin
959249b572 added getCellDescription to generate the markdown for the given cell. For mmCIF files use the entity row info to genereate a description. 2024-06-13 11:16:55 -07:00
Alexander Rose
44610b8b1a update cif schema 2024-06-12 21:50:49 -07:00
Alexander Rose
4070453209 Merge branch 'master' of https://github.com/molstar/molstar into pr/corredD/1157 2024-06-12 21:48:10 -07:00
Alexander Rose
cf2193f4fc Merge pull request #1156 from corredD/me_camera_behavior
mesoscale explorer centerOnly behavior
2024-06-12 21:41:46 -07:00
Alexander Rose
bfc0a3d1fe changelog 2024-06-12 21:41:28 -07:00
Alexander Rose
53a2155d8c Merge branch 'master' of https://github.com/molstar/molstar into pr/corredD/1156 2024-06-12 21:40:04 -07:00
Alexander Rose
f22121521b Merge pull request #1152 from corredD/me_illustrative
enable illustrative color scheme in the tree
2024-06-12 19:52:20 -07:00
Alexander Rose
755655d067 add illustrative coloring option 2024-06-12 19:45:53 -07:00
ludovic autin
41ab186fd2 ME - entities can have description text retriev in the file in the entity field or in the manifest. The descripion appear for the current selection in the left panel and in the tips when mouse hove in the viewport. The markdown will use the same handling as the Snapshot description defined in the me_ui_label PR. 2024-06-12 12:37:35 -07:00
ludovic autin
9039c653cb centerOnly toggle is actually used. Its is exposed as a Key toggle 'c'. How can we expose all the MesoFocusLociProps in the UI ? So that user can easily toggle the centerOnly and change the transition duration... 2024-06-12 11:00:44 -07:00
ludovic autin
dde3f4ecff Merge branch 'master' into me_illustrative 2024-06-12 09:39:31 -07:00
ludovic autin
64cd05cc14 hide toggle in custom type 2024-06-11 10:24:18 -07:00
David Sehnal
593e8f4993 Improve camera interpolation (#1153)
* improve camera interpolation

* typos
2024-06-11 14:19:19 +02:00
ludovic autin
d2d9eb622f preset illustrative: false, 2024-06-10 10:11:27 -07:00
ludovic autin
ce9883517f illustrative scheme as a boolean. 2024-06-10 09:56:15 -07:00
Ludovic Autin
bc2afe1d68 Merge commit '5a2ee03b48e1822c8843d65eb18d578af0579b9f' into me_illustrative 2024-06-08 09:09:23 -07:00
Alexander Rose
5a2ee03b48 lint fix 2024-06-07 22:38:26 -07:00
ludovic autin
2d86c76788 no multispace 2024-06-07 16:56:51 -07:00
ludovic autin
7f8995a4d8 " 2024-06-07 16:50:01 -07:00
ludovic autin
64ab8bf78d enable illustrative color scheme in the tree 2024-06-07 16:44:29 -07:00
Alexander Rose
bf9663e177 handle near clip in ssao-blur 2024-06-06 23:09:02 -07:00
David Sehnal
fb729446e2 Adjust quick styles panel (#1143)
* adjust quick styles panel

* header

* Update src/mol-plugin-ui/structure/quick-styles.tsx

Co-authored-by: Paul Pillot <116235895+papillot@users.noreply.github.com>

---------

Co-authored-by: Paul Pillot <116235895+papillot@users.noreply.github.com>
2024-06-05 08:56:37 +02:00
Neli Fonseca
3e4082bf6e Decompress gzip volume (#1146)
* Created DecompressGzip transformer to render map.gz volumes correctly

* Updated changelog

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Update src/mol-plugin-state/transforms/data.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Fixes bug and updated changelog

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Update src/apps/viewer/app.ts

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>

* Handle deflateData into string

* Update src/apps/viewer/app.ts

* Update src/mol-plugin-state/transforms/data.ts

---------

Co-authored-by: David Sehnal <dsehnal@users.noreply.github.com>
2024-06-04 12:14:49 +02:00
Alexander Rose
7148c7197b fixes for SSAO edge artifacts
- add `reuseOcclusion` parameter to multi-sample pass
- add `blurBias` parameter to occlusion pass
2024-05-16 23:48:57 -07:00
Gianluca Tomasello
0d9d173ef4 Merge branch 'master' into quantized-light 2024-05-13 21:02:21 +02:00
giagitom
6eaf8e1911 Adding tweaks 2024-05-13 20:59:42 +02:00
giagitom
5c882f1aa5 Added author in headers 2024-05-06 16:19:43 +02:00
giagitom
2320518b87 Add quantized lighting option 2024-05-06 14:58:42 +02:00
65 changed files with 1731 additions and 618 deletions

View File

@@ -5,6 +5,41 @@ Note that since we don't clearly distinguish between a public and private interf
## [Unreleased]
## [v4.4.0] - 2023-06-30
- Clean `solidInterior` transparent cylinders
- Create a transformer to deflate compressed data
- Adjust Quick Styles panel button labels
- Improve camera interpolation code (interpolate camera rotation instead of just position)
- Mesoscale Explorer
- Add `illustrative` coloring option
- Press 'C' to toggle between center and zoom & center on click
- Add entities selection description
- Clicking a leaf node in the right panel tree will center each instance in turn
- Add measurement controls to right panel
- Mouse left click on label with snapshot key will load snapshot
- Mouse hover over label with protein name highlight entities with the same name
- Custom ViewportSnapshotDescription with custom MarkdowAnchor
- \# other snapshots with a given key \[...](#key)
- i highlight a protein with a given NAME \[...](iNAME)
- g highlight a group with a given group type and group name \[...](ggrouptype.groupname)
- h URLs with a given link \[...](http...)
- Snapshot description panel window size and text can be resized and hidden with new icons
- Add styles controls to right panel
- Add viewport settings to left panel
- Add app info component to left panel with interactive tour and doc link
- Fixes SSAO edge artifacts (#1122)
- Add `reuseOcclusion` parameter to multi-sample pass
- Add `blurDepthBias` parameter to occlusion pass
- Handle near clip in SSAO blur
- Support reading score from B-factor in pLDDT color theme
- Add Cel-shading support
- `celShaded` geometry parameter
- `celSteps` renderer parameter
- Add the ability to customize the Snapshot Description component via `PluginUISpec.components.viewport.snapshotDescription`
- Add `doNotDisposeCanvas3DContext` option to `PluginContext.dispose`
- Remove support for density data from edmaps.rcsb.org
## [v4.3.0] - 2023-05-26
- Fix State Snapshots export animation (#1140)

View File

@@ -107,6 +107,7 @@ entity.id
entity.type
entity.src_method
entity.pdbx_description
entity.pdbx_parent_entity_id
entity.formula_weight
entity.pdbx_number_of_molecules
entity.details
1 atom_sites.entry_id
107 entity_poly.nstd_linkage entity_poly.type
108 entity_poly.nstd_monomer entity_poly.nstd_linkage
109 entity_poly.pdbx_seq_one_letter_code entity_poly.nstd_monomer
110 entity_poly.pdbx_seq_one_letter_code
111 entity_poly.pdbx_seq_one_letter_code_can
112 entity_poly.pdbx_strand_id
113 entity_poly.pdbx_target_identifier

607
package-lock.json generated

File diff suppressed because it is too large Load Diff

View File

@@ -1,6 +1,6 @@
{
"name": "molstar",
"version": "4.3.0",
"version": "4.4.0",
"description": "A comprehensive macromolecular library.",
"homepage": "https://github.com/molstar/molstar#readme",
"repository": {
@@ -107,7 +107,8 @@
"Christian Dominguez <christian.99dominguez@gmail.com>",
"Cai Huiyu <szmun.caihy@gmail.com>",
"Ryan DiRisio <rjdiris@gmail.com>",
"Dušan Veľký <dvelky@mail.muni.cz>"
"Dušan Veľký <dvelky@mail.muni.cz>",
"Neli Fonseca <neli@ebi.ac.uk>"
],
"license": "MIT",
"devDependencies": {
@@ -115,15 +116,15 @@
"@types/gl": "^6.0.5",
"@types/pngjs": "^6.0.5",
"@types/jest": "^29.5.12",
"@types/react": "^18.3.1",
"@types/react": "^18.3.3",
"@types/react-dom": "^18.3.0",
"@typescript-eslint/eslint-plugin": "^7.8.0",
"@typescript-eslint/parser": "^7.8.0",
"@typescript-eslint/eslint-plugin": "^7.14.1",
"@typescript-eslint/parser": "^7.14.1",
"benchmark": "^2.1.4",
"concurrently": "^8.2.2",
"cpx2": "^7.0.1",
"crypto-browserify": "^3.12.0",
"css-loader": "^7.1.1",
"css-loader": "^7.1.2",
"eslint": "^8.57.0",
"extra-watch-webpack-plugin": "^1.0.3",
"file-loader": "^6.2.0",
@@ -136,14 +137,14 @@
"raw-loader": "^4.0.2",
"react": "^18.3.1",
"react-dom": "^18.3.1",
"sass": "^1.76.0",
"sass": "^1.77.6",
"sass-loader": "^14.2.1",
"simple-git": "^3.24.0",
"simple-git": "^3.25.0",
"stream-browserify": "^3.0.0",
"style-loader": "^4.0.0",
"ts-jest": "^29.1.2",
"typescript": "^5.4.5",
"webpack": "^5.91.0",
"ts-jest": "^29.1.5",
"typescript": "^5.5.2",
"webpack": "^5.92.1",
"webpack-cli": "^5.1.4"
},
"dependencies": {
@@ -151,9 +152,9 @@
"@types/benchmark": "^2.1.5",
"@types/compression": "1.7.5",
"@types/express": "^4.17.21",
"@types/node": "^18.19.31",
"@types/node": "^18.19.39",
"@types/node-fetch": "^2.6.11",
"@types/swagger-ui-dist": "3.30.4",
"@types/swagger-ui-dist": "3.30.5",
"argparse": "^2.0.1",
"body-parser": "^1.20.2",
"compression": "^1.7.4",
@@ -161,13 +162,13 @@
"express": "^4.19.2",
"h264-mp4-encoder": "^1.0.12",
"immer": "^10.1.1",
"immutable": "^4.3.5",
"immutable": "^4.3.6",
"io-ts": "^2.2.21",
"node-fetch": "^2.7.0",
"react-markdown": "^9.0.1",
"rxjs": "^7.8.1",
"swagger-ui-dist": "^5.17.2",
"tslib": "^2.6.2",
"swagger-ui-dist": "^5.17.14",
"tslib": "^2.6.3",
"util.promisify": "^1.1.2",
"xhr2": "^0.2.1"
},

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2020-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2020-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -46,6 +46,7 @@ function occlusionStyle(plugin: PluginContext) {
...plugin.canvas3d!.props.postprocessing,
occlusion: { name: 'on', params: {
blurKernelSize: 15,
blurDepthBias: 0.5,
multiScale: { name: 'off', params: {} },
radius: 5,
bias: 0.8,

View File

@@ -30,6 +30,7 @@ import { Asset } from '../../mol-util/assets';
import { AnimateCameraSpin } from '../../mol-plugin-state/animation/built-in/camera-spin';
import { AnimateCameraRock } from '../../mol-plugin-state/animation/built-in/camera-rock';
import { AnimateStateSnapshots } from '../../mol-plugin-state/animation/built-in/state-snapshots';
import { MesoViewportSnapshotDescription } from './ui/entities';
export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
export { setDebugMode, setProductionMode, setTimingMode, consoleStats } from '../../mol-util/debug';
@@ -47,6 +48,7 @@ export type MesoscaleExplorerState = {
examples?: ExampleEntry[],
graphicsMode: GraphicsMode,
stateRef?: string,
driver?: any,
stateCache: { [k: string]: any },
}
@@ -90,7 +92,8 @@ const DefaultMesoscaleExplorerOptions = {
emdbProvider: PluginConfig.Download.DefaultEmdbProvider.defaultValue,
saccharideCompIdMapType: 'default' as SaccharideCompIdMapType,
graphicsMode: 'quality' as GraphicsMode
graphicsMode: 'quality' as GraphicsMode,
driver: undefined
};
type MesoscaleExplorerOptions = typeof DefaultMesoscaleExplorerOptions;
@@ -170,6 +173,9 @@ export class MesoscaleExplorer {
right: RightPanel,
},
remoteState: 'none',
viewport: {
snapshotDescription: MesoViewportSnapshotDescription,
}
},
config: [
[PluginConfig.General.DisableAntialiasing, o.disableAntialiasing],
@@ -208,6 +214,11 @@ export class MesoscaleExplorer {
let examples: MesoscaleExplorerState['examples'] = undefined;
try {
examples = await plugin.fetch({ url: './examples/list.json', type: 'json' }).run();
// extend the array with file tour.json if it exists
const tour = await plugin.fetch({ url: './examples/tour.json', type: 'json' }).run();
if (tour) {
examples = examples?.concat(tour);
}
} catch (e) {
console.log(e);
}
@@ -215,6 +226,7 @@ export class MesoscaleExplorer {
(plugin.customState as MesoscaleExplorerState) = {
examples,
graphicsMode: o.graphicsMode,
driver: o.driver,
stateCache: {},
};

View File

@@ -11,10 +11,12 @@ import { ButtonsType, ModifiersKeys } from '../../../mol-util/input/input-observ
import { Binding } from '../../../mol-util/binding';
import { PluginCommands } from '../../../mol-plugin/commands';
import { Sphere3D } from '../../../mol-math/geometry';
import { StructureElement } from '../../../mol-model/structure';
const B = ButtonsType;
const M = ModifiersKeys;
const Trigger = Binding.Trigger;
const Key = Binding.TriggerKey;
const DefaultMesoFocusLociBindings = {
clickCenter: Binding([
@@ -23,13 +25,14 @@ const DefaultMesoFocusLociBindings = {
clickCenterFocus: Binding([
Trigger(B.Flag.Secondary, M.create()),
], 'Camera center and focus', 'Click element using ${triggers}'),
keyCenterOnly: Binding([Key('C')], 'Center Only Toggle', 'Press ${triggers}'),
};
const MesoFocusLociParams = {
export const MesoFocusLociParams = {
minRadius: PD.Numeric(8, { min: 1, max: 50, step: 1 }),
extraRadius: PD.Numeric(4, { min: 1, max: 50, step: 1 }, { description: 'Value added to the bounding-sphere radius of the Loci' }),
durationMs: PD.Numeric(250, { min: 0, max: 1000, step: 1 }, { description: 'Camera transition duration' }),
centerOnly: PD.Boolean(true, { description: 'Keep current camera distance' }),
bindings: PD.Value(DefaultMesoFocusLociBindings, { isHidden: true }),
};
type MesoFocusLociProps = PD.Values<typeof MesoFocusLociParams>
@@ -47,25 +50,45 @@ export const MesoFocusLoci = PluginBehavior.create<MesoFocusLociProps>({
const sphere = Loci.getBoundingSphere(loci) || Sphere3D();
const { clickCenter, clickCenterFocus } = this.params.bindings;
const { durationMs, extraRadius, minRadius } = this.params;
const { durationMs, extraRadius, minRadius, centerOnly } = this.params;
const radius = Math.max(sphere.radius + extraRadius, minRadius);
if (Binding.match(clickCenter, button, modifiers)) {
// left mouse button
if (Loci.isEmpty(current.loci)) {
PluginCommands.Camera.Reset(this.ctx, { });
return;
}
const snapshot = canvas3d.camera.getCenter(sphere.center);
canvas3d.requestCameraReset({ durationMs, snapshot });
if (StructureElement.Loci.is(current.loci)) {
if (centerOnly) {
const snapshot = canvas3d.camera.getCenter(sphere.center);
canvas3d.requestCameraReset({ durationMs, snapshot });
} else {
this.ctx.managers.camera.focusSphere(sphere, this.params);
}
}
} else if (Binding.match(clickCenterFocus, button, modifiers)) {
// right mouse button
if (Loci.isEmpty(current.loci)) {
PluginCommands.Camera.Reset(this.ctx, { });
return;
}
if (centerOnly) {
const snapshot = canvas3d.camera.getCenter(sphere.center, radius);
canvas3d.requestCameraReset({ durationMs, snapshot });
} else {
this.ctx.managers.camera.focusSphere(sphere, this.params);
}
}
});
const snapshot = canvas3d.camera.getCenter(sphere.center, radius);
canvas3d.requestCameraReset({ durationMs, snapshot });
this.subscribeObservable(this.ctx.behaviors.interaction.key, ({ code, key, modifiers }) => {
if (!this.ctx.canvas3d) return;
const b = { ...DefaultMesoFocusLociBindings, ...this.params.bindings };
const { centerOnly } = this.params;
if (Binding.matchKey(b.keyCenterOnly, code, modifiers, key)) {
this.params.centerOnly = !centerOnly;
}
});
}

View File

@@ -16,12 +16,16 @@ import { StateTreeSpine } from '../../../mol-state/tree/spine';
import { Representation } from '../../../mol-repr/representation';
import { MarkerAction } from '../../../mol-util/marker-action';
import { PluginContext } from '../../../mol-plugin/context';
import { MesoscaleState, expandAllGroups, getCellDescription, getEveryEntity } from '../data/state';
const B = ButtonsType;
const M = ModifiersKeys;
const Trigger = Binding.Trigger;
const DefaultMesoSelectLociBindings = {
click: Binding([
Trigger(B.Flag.Primary, M.create())
], 'Click', 'Click element using ${triggers}'),
clickToggleSelect: Binding([
Trigger(B.Flag.Primary, M.create({ shift: true })),
Trigger(B.Flag.Primary, M.create({ control: true })),
@@ -63,15 +67,36 @@ export const MesoSelectLoci = PluginBehavior.create<MesoSelectLociProps>({
this.subscribeObservable(this.ctx.behaviors.interaction.click, ({ current, button, modifiers }) => {
if (!this.ctx.canvas3d || this.ctx.isBusy) return;
const { clickToggleSelect } = this.params.bindings;
const { click, clickToggleSelect } = this.params.bindings;
if (Binding.match(clickToggleSelect, button, modifiers)) {
if (Loci.isEmpty(current.loci)) {
this.ctx.managers.interactivity.lociSelects.deselectAll();
return;
}
const loci = Loci.normalize(current.loci, modifiers.control ? 'entity' : 'chain');
this.ctx.managers.interactivity.lociSelects.toggle({ loci }, false);
if (StructureElement.Loci.is(current.loci)) {
const cell = this.ctx.helpers.substructureParent.get(current.loci.structure);
const d = getCellDescription(cell!);
MesoscaleState.set(this.ctx, { focusInfo: `${d}` });
}
}
if (Binding.match(click, button, modifiers)) {
if (Loci.isEmpty(current.loci)) {
MesoscaleState.set(this.ctx, { focusInfo: '', filter: '' });
return;
}
const snapshotKey = current.repr?.props?.snapshotKey?.trim() ?? '';
if (snapshotKey) {
this.ctx.managers.snapshot.applyKey(snapshotKey);
} else {
if (StructureElement.Loci.is(current.loci)) {
const cell = this.ctx.helpers.substructureParent.get(current.loci.structure);
const d = getCellDescription(cell!);
MesoscaleState.set(this.ctx, { focusInfo: `${d}`, filter: `${cell?.obj?.label}` });
expandAllGroups(this.ctx);
}
}
}
});
this.ctx.managers.interactivity.lociSelects.addProvider(this.lociMarkProvider);
@@ -87,22 +112,41 @@ export const MesoSelectLoci = PluginBehavior.create<MesoSelectLociProps>({
this.ctx.managers.interactivity.lociHighlights.clearHighlights();
return;
}
if (modifiers.control) {
this.ctx.managers.interactivity.lociHighlights.highlightOnly({ repr: current.repr, loci: EveryLoci }, false);
} else {
const loci = Loci.normalize(current.loci, 'chain');
this.ctx.managers.interactivity.lociHighlights.highlightOnly({ repr: current.repr, loci }, false);
if (StructureElement.Loci.is(current.loci)) {
if (modifiers.control) {
this.ctx.managers.interactivity.lociHighlights.highlightOnly({ repr: current.repr, loci: EveryLoci }, false);
} else {
const loci = Loci.normalize(current.loci, 'chain');
this.ctx.managers.interactivity.lociHighlights.highlightOnly({ repr: current.repr, loci }, false);
}
}
}
if (Loci.isEmpty(current.loci)) {
this.ctx.behaviors.labels.highlight.next({ labels: [] });
this.ctx.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
} else {
const labels: string[] = [];
if (StructureElement.Loci.is(current.loci)) {
const cell = this.ctx.helpers.substructureParent.get(current.loci.structure);
labels.push(cell?.obj?.label || 'Unknown');
const d = getCellDescription(cell!);
labels.push(d);
} else {
const loci = Loci.normalize(current.loci, this.ctx.managers.interactivity.props.granularity);
if (loci.kind === 'group-loci') {
if ('shape' in current.loci && current.loci.shape.geometry.kind === 'text') {
const qname = current.repr?.props.customText;
// highlight protein with same name
const entities = getEveryEntity(this.ctx, qname);
for (const r of entities) {
const repr = r.obj?.data.repr;
if (repr) {
this.ctx.canvas3d?.mark({ repr, loci: EveryLoci }, MarkerAction.Highlight);
}
}
}
labels.push(loci.shape.getLabel(0, 0));
}
}
this.ctx.behaviors.labels.highlight.next({ labels });
}

View File

@@ -161,15 +161,12 @@ const CellpackStructure = PluginStateTransform.BuiltIn({
const unitsByEntity = getUnitsByEntity(parent);
const units = unitsByEntity.get(idx) || [];
// if (!unitsByEntity.get(idx)) {
// console.log(entities.data.pdbx_description.value(idx));
// }
const structure = Structure.create(units);
const description = entities.data.pdbx_description.value(idx)[0] || 'model';
const label = description.split('.').at(-1) || a.label;
return new PSO.Molecule.Structure(structure, { label, description: `${a.description}` });
const description_label = entities.data.pdbx_description.value(idx)[0] || 'model';
const label = description_label.split('.').at(-1) || a.label;
const description = entities.data.pdbx_parent_entity_id.value(idx) || label;
return new PSO.Molecule.Structure(structure, { label, description: description }); // `${a.description}`
});
},
dispose({ b }) {

View File

@@ -12,7 +12,7 @@ import { SpacefillRepresentationProvider } from '../../../../mol-repr/structure/
import { StateObjectRef, StateObjectSelector, StateBuilder } from '../../../../mol-state';
import { Color } from '../../../../mol-util/color';
import { ColorNames } from '../../../../mol-util/color/names';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getDistinctGroupColors, getGraphicsModeProps, getMesoscaleGroupParams } from '../state';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getDistinctGroupColors, getGraphicsModeProps, getMesoscaleGroupParams, updateColors } from '../state';
import { CellpackAssembly, CellpackStructure } from './model';
function getSpacefillParams(color: Color, sizeFactor: number, graphics: GraphicsMode, merge?: boolean) {
@@ -96,12 +96,12 @@ export async function createCellpackHierarchy(plugin: PluginContext, trajectory:
const compRoot = await state.build()
.toRoot()
.applyOrUpdateTagged('group:comp:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `comp:`, label: 'compartment', color: { type: 'custom', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:comp:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.applyOrUpdateTagged('group:comp:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `comp:`, label: 'compartment', color: { type: 'custom', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:comp:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.commit();
const funcRoot = await state.build()
.toRoot()
.applyOrUpdateTagged('group:func:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `func:`, label: 'function', color: { type: 'custom', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:func:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.applyOrUpdateTagged('group:func:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `func:`, label: 'function', color: { type: 'custom', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:func:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.commit();
if (entities._rowCount > 1) {
@@ -159,7 +159,7 @@ export async function createCellpackHierarchy(plugin: PluginContext, trajectory:
parent.cell!.state.isCollapsed = false;
const group = await state.build()
.to(parent)
.applyOrUpdateTagged(`group:comp:${n}`, MesoscaleGroup, { ...groupParams, root: parent === compRoot, index: colorIdx, tag: `comp:${n}`, label, color: { type: 'generate', value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `comp:${p}`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.applyOrUpdateTagged(`group:comp:${n}`, MesoscaleGroup, { ...groupParams, root: parent === compRoot, index: colorIdx, tag: `comp:${n}`, label, color: { type: 'generate', illustrative: false, value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `comp:${p}`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.commit({ revertOnError: true });
compGroups.set(n, group);
}
@@ -171,7 +171,7 @@ export async function createCellpackHierarchy(plugin: PluginContext, trajectory:
const color = colorIdx !== undefined ? baseFuncColors[colorIdx] : ColorNames.white;
const group = await state.build()
.to(funcRoot)
.applyOrUpdateTagged(`group:func:${f}`, MesoscaleGroup, { ...groupParams, index: colorIdx, tag: `func:${f}`, label: f, color: { type: 'custom', value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'func:', state: { isCollapsed: true, isHidden: groupParams.hidden } })
.applyOrUpdateTagged(`group:func:${f}`, MesoscaleGroup, { ...groupParams, index: colorIdx, tag: `func:${f}`, label: f, color: { type: 'custom', illustrative: false, value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'func:', state: { isCollapsed: true, isHidden: groupParams.hidden } })
.commit({ revertOnError: true });
funcGroups.set(f, group);
}
@@ -201,6 +201,9 @@ export async function createCellpackHierarchy(plugin: PluginContext, trajectory:
.apply(StructureRepresentation3D, getSpacefillParams(color, sizeFactor, graphicsMode), { tags: [`comp:${n}`, `func:${f}`] });
}
await build.commit();
const values = { type: 'group-generate', value: ColorNames.white, lightness: 0, alpha: 1 };
const options = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 }, celShaded: true, };
await updateColors(plugin, values, options);
} catch (e) {
console.error(e);
plugin.log.error(e);

View File

@@ -76,6 +76,7 @@ const StructureFromGeneric = PluginStateTransform.BuiltIn({
params: {
instances: PD.Value<GenericInstances<Asset>>(EmptyInstances),
label: PD.Optional(PD.Text('')),
description: PD.Optional(PD.Text('')),
cellSize: PD.Numeric(500, { min: 0, max: 10000, step: 100 }),
}
})({
@@ -111,7 +112,7 @@ const StructureFromGeneric = PluginStateTransform.BuiltIn({
structure = assembler.getStructure();
}
const props = { label, description: Structure.elementDescription(structure) };
const props = { label, description: params.description || Structure.elementDescription(structure) };
return new SO.Molecule.Structure(structure, props);
});
},

View File

@@ -124,7 +124,7 @@ export async function createGenericHierarchy(plugin: PluginContext, file: Asset.
async function addGroup(g: GenericGroup, cell: StateObjectSelector, parent: string) {
const group = await state.build()
.to(cell)
.apply(MesoscaleGroup, { ...groupParams, index: undefined, tag: `${g.root}:${g.id}`, label: g.label || g.id, color: { type: 'custom', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: [`group:${g.root}:${g.id}`, g.root === parent ? `${g.root}:` : `${g.root}:${parent}`], state: { isCollapsed: true, isHidden: groupParams.hidden } })
.apply(MesoscaleGroup, { ...groupParams, index: undefined, tag: `${g.root}:${g.id}`, label: g.label || g.id, description: g.description, color: { type: 'custom', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: [`group:${g.root}:${g.id}`, g.root === parent ? `${g.root}:` : `${g.root}:${parent}`], state: { isCollapsed: true, isHidden: groupParams.hidden } })
.commit();
if (g.children) {
@@ -137,7 +137,7 @@ export async function createGenericHierarchy(plugin: PluginContext, file: Asset.
for (const r of manifest.roots) {
const root = await state.build()
.toRoot()
.apply(MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `${r.id}:`, label: r.label || r.id, color: { type: 'custom', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `group:${r.id}:`, state: { isCollapsed: false, isHidden: groupParams.hidden } })
.apply(MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `${r.id}:`, label: r.label || r.id, description: r.description, color: { type: 'custom', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `group:${r.id}:`, state: { isCollapsed: false, isHidden: groupParams.hidden } })
.commit();
if (r.children) {
@@ -193,11 +193,12 @@ export async function createGenericHierarchy(plugin: PluginContext, file: Asset.
const file = Asset.File(new File([t], ent.file));
const color = ColorNames.skyblue;
const label = ent.label || ent.file.split('.')[0];
const sizeFactor = ent.sizeFactor || 1;
const tags = ent.groups.map(({ id, root }) => `${root}:${id}`);
const instances = ent.instances && getAssetInstances(ent.instances);
const description = ent.description;
const label = ent.label || ent.file.split('.')[0];
build = build
.toRoot()
.apply(ReadFile, { file, label, isBinary });
@@ -233,7 +234,7 @@ export async function createGenericHierarchy(plugin: PluginContext, file: Asset.
build = build
.apply(ModelFromTrajectory, { modelIndex: 0 })
.apply(StructureFromGeneric, { instances, label })
.apply(StructureFromGeneric, { instances, label, description })
.apply(StructureRepresentation3D, getSpacefillParams(color, sizeFactor, graphicsMode, clipVariant), { tags });
} else if (['ply'].includes(info.ext)) {
if (['ply'].includes(info.ext)) {
@@ -250,9 +251,9 @@ export async function createGenericHierarchy(plugin: PluginContext, file: Asset.
}
await build.commit();
const rootId = `${manifest.roots[0].id}:`;
const values = { type: 'group-generate', value: ColorNames.white, lightness: 0, alpha: 1 };
await updateColors(plugin, values, rootId, '');
const options = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 }, celShaded: true, };
await updateColors(plugin, values, options);
} catch (e) {
console.error(e);
plugin.log.error(e);

View File

@@ -186,9 +186,10 @@ const MmcifStructure = PluginStateTransform.BuiltIn({
} else {
structure = Structure.create(units);
}
// could also use _struct_ref.pdbx_db_accession to point to uniprot with _struct_ref.db_name == UNP
const label = entities.data.pdbx_description.value(idx).join(', ') || 'model';
return new PSO.Molecule.Structure(structure, { label, description: `${a.description}` });
const description = `*Entity id* ${entities.data.id.value(idx)} *src_method* ${entities.data.src_method.value(idx)} *type* ${entities.data.type.value(idx)}`;
return new PSO.Molecule.Structure(structure, { label, description: description });
});
},
update({ newParams, oldParams }) {

View File

@@ -13,7 +13,7 @@ import { StateObjectRef, StateObjectSelector, StateBuilder } from '../../../../m
import { Clip } from '../../../../mol-util/clip';
import { Color } from '../../../../mol-util/color';
import { ColorNames } from '../../../../mol-util/color/names';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getDistinctGroupColors, getGraphicsModeProps, getMesoscaleGroupParams } from '../state';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getDistinctGroupColors, getGraphicsModeProps, getMesoscaleGroupParams, updateColors } from '../state';
import { MmcifAssembly, MmcifStructure } from './model';
function getSpacefillParams(color: Color, scaleFactor: number, graphics: GraphicsMode, clipVariant: Clip.Variant) {
@@ -114,7 +114,7 @@ export async function createMmcifHierarchy(plugin: PluginContext, trajectory: St
const entRoot = await state.build()
.toRoot()
.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'custom', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'custom', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.commit();
const getEntityType = (i: number) => {
@@ -148,7 +148,7 @@ export async function createMmcifHierarchy(plugin: PluginContext, trajectory: St
const color = colorIdx !== undefined ? baseEntColors[colorIdx] : ColorNames.white;
const group = await state.build()
.to(entRoot)
.applyOrUpdateTagged(`group:ent:${t}`, MesoscaleGroup, { ...groupParams, index: colorIdx, tag: `ent:${t}`, label: t, color: { type: 'generate', value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.applyOrUpdateTagged(`group:ent:${t}`, MesoscaleGroup, { ...groupParams, index: colorIdx, tag: `ent:${t}`, label: t, color: { type: 'generate', illustrative: false, value: color, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.commit({ revertOnError: true });
entGroups.set(t, group);
}
@@ -172,6 +172,9 @@ export async function createMmcifHierarchy(plugin: PluginContext, trajectory: St
.apply(StructureRepresentation3D, getSpacefillParams(color, scaleFactor, graphicsMode, clipVariant), { tags: [`ent:${t}`] });
}
await build.commit();
const values = { type: 'group-generate', value: ColorNames.white, lightness: 0, alpha: 1 };
const options = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 }, celShaded: true, };
await updateColors(plugin, values, options);
} catch (e) {
console.error(e);
plugin.log.error(e);

View File

@@ -39,8 +39,10 @@ const StructureFromPetworld = PluginStateTransform.BuiltIn({
const { frame } = s.model.sourceData.data;
const pdbx_model = frame.categories.pdbx_model.getField('name')!;
const pdbx_description = frame.categories.pdbx_model.getField('description')!;
const description = pdbx_description ? pdbx_description.str(params.modelIndex) : Structure.elementDescription(s);
const label = pdbx_model.str(params.modelIndex);
const props = { label, description: Structure.elementDescription(s) };
const props = { label, description: description };
return new SO.Molecule.Structure(s, props);
});
},

View File

@@ -11,7 +11,7 @@ import { SpacefillRepresentationProvider } from '../../../../mol-repr/structure/
import { StructureRepresentation3D } from '../../../../mol-plugin-state/transforms/representation';
import { PluginContext } from '../../../../mol-plugin/context';
import { PluginStateObject } from '../../../../mol-plugin-state/objects';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getGraphicsModeProps, getMesoscaleGroupParams } from '../state';
import { GraphicsMode, MesoscaleGroup, MesoscaleState, getDistinctBaseColors, getGraphicsModeProps, getMesoscaleGroupParams, updateColors } from '../state';
import { ColorNames } from '../../../../mol-util/color/names';
import { MmcifFormat } from '../../../../mol-model-formats/structure/mmcif';
import { Task } from '../../../../mol-task';
@@ -97,12 +97,12 @@ export async function createPetworldHierarchy(plugin: PluginContext, trajectory:
const group = await state.build()
.toRoot()
.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'generate', value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.applyOrUpdateTagged('group:ent:', MesoscaleGroup, { ...groupParams, root: true, index: -1, tag: `ent:`, label: 'entity', color: { type: 'generate', illustrative: false, value: ColorNames.white, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: 'group:ent:', state: { isCollapsed: false, isHidden: groupParams.hidden } })
.commit({ revertOnError: true });
await state.build()
.to(group)
.applyOrUpdateTagged(`group:ent:mem`, MesoscaleGroup, { ...groupParams, index: undefined, tag: `ent:mem`, label: 'Membrane', color: { type: 'uniform', value: ColorNames.lightgrey, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.applyOrUpdateTagged(`group:ent:mem`, MesoscaleGroup, { ...groupParams, index: undefined, tag: `ent:mem`, label: 'Membrane', color: { type: 'uniform', illustrative: false, value: ColorNames.lightgrey, variability: 20, shift: 0, lightness: 0, alpha: 1, emissive: 0 } }, { tags: `ent:`, state: { isCollapsed: true, isHidden: groupParams.hidden } })
.commit();
const colors = getDistinctBaseColors(other.length, 0);
@@ -124,6 +124,9 @@ export async function createPetworldHierarchy(plugin: PluginContext, trajectory:
.apply(StructureRepresentation3D, getSpacefillParams(colors[i], graphicsMode), { tags: [`ent:`] });
}
await build.commit();
const values = { type: 'group-generate', value: ColorNames.white, lightness: 0, alpha: 1 };
const options = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 }, celShaded: true, };
await updateColors(plugin, values, options);
} catch (e) {
console.error(e);
plugin.log.error(e);

View File

@@ -24,6 +24,7 @@ import { SpacefillRepresentationProvider } from '../../../mol-repr/structure/rep
import { assertUnreachable } from '../../../mol-util/type-helpers';
import { MesoscaleExplorerState } from '../app';
import { saturate } from '../../../mol-math/interpolate';
import { Material } from '../../../mol-util/material';
function getHueRange(hue: number, variability: number) {
let min = hue - variability;
@@ -106,6 +107,7 @@ export function getDistinctBaseColors(count: number, shift: number, props?: Part
export const ColorParams = {
type: PD.Select('generate', PD.arrayToOptions(['generate', 'uniform', 'custom'])),
illustrative: PD.Boolean(false, { description: 'Illustrative style', hideIf: p => p.type === 'custom' }),
value: PD.Color(Color(0xFFFFFF), { hideIf: p => p.type === 'custom' }),
variability: PD.Numeric(20, { min: 1, max: 180, step: 1 }, { hideIf: p => p.type !== 'generate' }),
shift: PD.Numeric(0, { min: 0, max: 100, step: 1 }, { hideIf: p => !p.type.includes('generate') }),
@@ -119,6 +121,7 @@ export const ColorValueParam = PD.Color(Color(0xFFFFFF));
export const RootParams = {
type: PD.Select('custom', PD.arrayToOptions(['group-generate', 'group-uniform', 'generate', 'uniform', 'custom'])),
illustrative: PD.Boolean(false, { description: 'Illustrative style', hideIf: p => p.type === 'custom' }),
value: PD.Color(Color(0xFFFFFF), { hideIf: p => p.type !== 'uniform' }),
variability: PD.Numeric(20, { min: 1, max: 180, step: 1 }, { hideIf: p => p.type !== 'group-generate' }),
shift: PD.Numeric(0, { min: 0, max: 100, step: 1 }, { hideIf: p => !p.type.includes('generate') }),
@@ -132,6 +135,10 @@ export const LightnessParams = {
};
export const DimLightness = 6;
export const IllustrativeParams = {
illustrative: PD.Boolean(false, { description: 'Illustrative style' }),
};
export const OpacityParams = {
alpha: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
};
@@ -140,11 +147,24 @@ export const EmissiveParams = {
emissive: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }),
};
export const celShaded = {
celShaded: PD.Boolean(false, { description: 'Cel Shading light for stylized rendering of representations' })
};
export type celShadedProps = PD.Values<typeof celShaded>;
export const PatternParams = {
frequency: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
amplitude: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
};
export const StyleParams = {
ignoreLight: PD.Boolean(false, { description: 'Ignore light for stylized rendering of representations' }),
materialStyle: Material.getParam(),
celShaded: PD.Boolean(false, { description: 'Cel Shading light for stylized rendering of representations' }),
};
export const LodParams = {
lodLevels: Spheres.Params.lodLevels,
cellSize: Spheres.Params.cellSize,
@@ -250,6 +270,7 @@ export const MesoscaleGroupParams = {
index: PD.Value<number>(-1, { isHidden: true }),
tag: PD.Value<string>('', { isHidden: true }),
label: PD.Value<string>('', { isHidden: true }),
description: PD.Value<string>('', { isHidden: true }),
hidden: PD.Boolean(false),
color: PD.Group(RootParams),
lightness: PD.Numeric(0, { min: -6, max: 6, step: 0.1 }),
@@ -271,7 +292,7 @@ export const MesoscaleGroup = PluginStateTransform.BuiltIn({
})({
apply({ a, params }, plugin: PluginContext) {
return Task.create('Apply Mesoscale Group', async () => {
return new MesoscaleGroupObject({}, { label: params.label });
return new MesoscaleGroupObject({}, { label: params.label, description: params.description });
});
},
});
@@ -360,7 +381,10 @@ export const MesoscaleStateParams = {
filter: PD.Value<string>('', { isHidden: true }),
graphics: PD.Select('quality', PD.arrayToOptions(['ultra', 'quality', 'balanced', 'performance', 'custom'] as GraphicsMode[])),
description: PD.Value<string>('', { isHidden: true }),
focusInfo: PD.Value<string>('', { isHidden: true }),
link: PD.Value<string>('', { isHidden: true }),
textSizeDescription: PD.Numeric(14, { min: 1, max: 100, step: 1 }, { isHidden: true }),
index: PD.Value<number>(-1, { isHidden: true })
};
export class MesoscaleStateObject extends PSO.Create<MesoscaleState>({ name: 'Mesoscale State', typeClass: 'Object' }) { }
@@ -447,7 +471,7 @@ export function getAllGroups(plugin: PluginContext, tag?: string) {
return _getAllGroups(plugin, tag, []);
}
export function getAllLeafGroups(plugin: PluginContext, tag: string) {
export function getAllLeafGroups(plugin: PluginContext, tag: string | undefined) {
const allGroups = getAllGroups(plugin, tag);
allGroups.sort((a, b) => a.params?.values.index - b.params?.values.index);
return allGroups.filter(g => {
@@ -481,7 +505,8 @@ function getFilterMatcher(filter: string) {
: new RegExp(escapeRegExp(filter), 'gi');
}
export function getFilteredEntities(plugin: PluginContext, tag: string, filter: string) {
export function getFilteredEntities(plugin: PluginContext, tag: string | undefined, filter: string | undefined) {
if (!filter) return getEntities(plugin, tag);
const matcher = getFilterMatcher(filter);
return getEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
}
@@ -498,21 +523,42 @@ export function getAllEntities(plugin: PluginContext, tag?: string) {
return _getAllEntities(plugin, tag, []);
}
export function getAllFilteredEntities(plugin: PluginContext, tag: string, filter: string) {
export function getAllFilteredEntities(plugin: PluginContext, tag: string | undefined, filter: string | undefined) {
if (!filter) return getAllEntities(plugin, tag);
const matcher = getFilterMatcher(filter);
return getAllEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
}
export function getEveryEntity(plugin: PluginContext, filter?: string, tag?: string) {
if (filter) {
const matcher = getFilterMatcher(filter);
return getAllEntities(plugin, tag).filter(c => getEntityLabel(plugin, c).match(matcher) !== null);
} else {
return getAllEntities(plugin, tag);
}
}
export function getEntityLabel(plugin: PluginContext, cell: StateObjectCell) {
return StateObjectRef.resolve(plugin.state.data, cell.transform.parent)?.obj?.label || 'Entity';
}
//
export function getCellDescription(cell: StateObjectCell) {
// markdown style for description
return '**' + cell?.obj?.label + '**\n\n' + cell?.obj?.description;
}
export async function updateColors(plugin: PluginContext, values: PD.Values, tag: string, filter: string) {
export function getEntityDescription(plugin: PluginContext, cell: StateObjectCell) {
const s = StateObjectRef.resolve(plugin.state.data, cell.transform.parent);
const d = getCellDescription(s!);
return d;
}
export async function updateColors(plugin: PluginContext, values: PD.Values, options?: PD.Values, tag?: string, filter?: string) {
const update = plugin.state.data.build();
const { type, value, shift, lightness, alpha, emissive } = values;
const { type, illustrative, value, shift, lightness, alpha, emissive } = values;
const doLighting = (options !== undefined);
const { ignoreLight, materialStyle: material, celShaded } = options ? options : { ignoreLight: true, materialStyle: { metalness: 0, roughness: 0.2, bumpiness: 0 }, celShaded: false };
if (type === 'group-generate' || type === 'group-uniform') {
const groups = getAllLeafGroups(plugin, tag);
const baseColors = getDistinctBaseColors(groups.length, shift);
@@ -531,11 +577,19 @@ export async function updateColors(plugin: PluginContext, values: PD.Values, tag
const c = type === 'group-generate' ? groupColors[j] : baseColors[i];
update.to(entities[j]).update(old => {
if (old.type) {
old.colorTheme.params.value = c;
old.colorTheme.params.lightness = lightness;
if (illustrative) {
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: c, lightness: lightness } } } };
} else {
old.colorTheme = { name: 'uniform', params: { value: c, lightness: lightness } };
}
old.type.params.alpha = alpha;
old.type.params.xrayShaded = alpha < 1 ? 'inverted' : false;
old.type.params.emissive = emissive;
if (doLighting) {
old.type.params.ignoreLight = ignoreLight;
old.type.params.material = material;
old.type.params.celShaded = celShaded;
}
} else if (old.coloring) {
old.coloring.params.color = c;
old.coloring.params.lightness = lightness;
@@ -548,6 +602,7 @@ export async function updateColors(plugin: PluginContext, values: PD.Values, tag
update.to(g.transform.ref).update(old => {
old.color.type = type === 'group-generate' ? 'generate' : 'uniform';
old.color.illustrative = illustrative;
old.color.value = baseColors[i];
old.color.lightness = lightness;
old.color.alpha = alpha;
@@ -566,11 +621,19 @@ export async function updateColors(plugin: PluginContext, values: PD.Values, tag
const c = type === 'generate' ? groupColors[j] : value;
update.to(entities[j]).update(old => {
if (old.type) {
old.colorTheme.params.value = c;
old.colorTheme.params.lightness = lightness;
if (illustrative) {
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: c, lightness: lightness } } } };
} else {
old.colorTheme = { name: 'uniform', params: { value: c, lightness: lightness } };
}
old.type.params.alpha = alpha;
old.type.params.xrayShaded = alpha < 1 ? 'inverted' : false;
old.type.params.emissive = emissive;
if (doLighting) {
old.type.params.ignoreLight = ignoreLight;
old.type.params.material = material;
old.type.params.celShaded = celShaded;
}
} else if (old.coloring) {
old.coloring.params.color = c;
old.coloring.params.lightness = lightness;
@@ -585,6 +648,7 @@ export async function updateColors(plugin: PluginContext, values: PD.Values, tag
for (const o of others) {
update.to(o).update(old => {
old.color.type = type === 'generate' ? 'custom' : 'uniform';
old.color.illustrative = illustrative;
old.color.value = value;
old.color.lightness = lightness;
old.color.alpha = alpha;
@@ -603,3 +667,17 @@ export function expandAllGroups(plugin: PluginContext) {
}
}
};
export async function updateReprParams(plugin: PluginContext, options: PD.Values) {
const update = plugin.state.data.build();
const { ignoreLight, materialStyle: material, celShaded } = options;
const entities = getAllEntities(plugin);
for (let j = 0; j < entities.length; ++j) {
update.to(entities[j]).update(old => {
old.type.params.ignoreLight = ignoreLight;
old.type.params.material = material;
old.type.params.celShaded = celShaded;
});
}
await update.commit();
}

View File

@@ -4,6 +4,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
<link rel="icon" href="./favicon.ico" type="image/x-icon">
<link rel="stylesheet" href="./extras/driver.css"/>
<title>Mol* Mesoscale Explorer</title>
<style>
* {
@@ -38,8 +39,11 @@
</head>
<body>
<div id="app"></div>
<script src="./extras/driver.js.iife.js"></script>
<script type="text/javascript" src="./molstar.js"></script>
<script type="text/javascript">
const driver = window.driver ? window.driver.js.driver() : undefined;
function getParam(name, regex) {
var r = new RegExp(name + '=' + '(' + regex + ')[&]?', 'i');
return decodeURIComponent(((window.location.search || '').match(r) || [])[1] || '');
@@ -64,6 +68,7 @@
allowMajorPerformanceCaveat: allowMajorPerformanceCaveat,
powerPreference: powerPreference || 'high-performance',
graphicsMode: graphicsMode || 'quality',
driver: driver
}).then(me => {
var example = getParam('example', '[^&]+').trim();
if (example) {
@@ -98,4 +103,4 @@
</script>
<!-- __MOLSTAR_ANALYTICS__ -->
</body>
</html>
</html>

View File

@@ -24,6 +24,7 @@ $logo-background: rgba(0,0,0,0.75);
}
@import 'mol-plugin-ui/skin/base/base';
@import 'mol-plugin-ui/skin/base/variables';
a {
color: $font-color;
@@ -31,3 +32,35 @@ a {
color: $hover-font-color;
}
}
.msp-snapshot-description-me {
background: rgba(red($default-background), green($default-background), blue($default-background), 0.5);
position: absolute;
height: 50vh; // 50% of the viewport height
left: 0;
top: $control-spacing + $row-height;
padding: (0.66 * $control-spacing) $control-spacing;
resize: both; /* Allows resizing in both directions */
overflow: auto; /* Adjust as needed */
a {
text-decoration: underline;
cursor: pointer;
color: $font-color;
}
ul, ol {
padding-left: $control-spacing + 4px;
}
&.hidden {
display: none;
}
&.shown {
display: block; // or 'flex', 'grid', etc. depending on your layout
}
}

View File

@@ -4,9 +4,9 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { PluginUIComponent } from '../../../mol-plugin-ui/base';
import { PluginReactContext, PluginUIComponent } from '../../../mol-plugin-ui/base';
import { Button, ControlGroup, IconButton } from '../../../mol-plugin-ui/controls/common';
import { ArrowDropDownSvg, ArrowRightSvg, CloseSvg, VisibilityOffOutlinedSvg, VisibilityOutlinedSvg, ContentCutSvg, BrushSvg, SearchSvg } from '../../../mol-plugin-ui/controls/icons';
import { ArrowDropDownSvg, ArrowRightSvg, CloseSvg, VisibilityOffOutlinedSvg, VisibilityOutlinedSvg, ContentCutSvg, BrushSvg, SearchSvg, TooltipTextSvg, TooltipTextOutlineSvg, PlusBoxSvg, MinusBoxSvg } from '../../../mol-plugin-ui/controls/icons';
import { PluginCommands } from '../../../mol-plugin/commands';
import { State, StateObjectCell, StateSelection, StateTransformer } from '../../../mol-state';
import { ParameterControls, ParameterMappingControl, ParamOnChange, SelectControl } from '../../../mol-plugin-ui/controls/parameters';
@@ -18,14 +18,17 @@ import { CombinedColorControl } from '../../../mol-plugin-ui/controls/color';
import { MarkerAction } from '../../../mol-util/marker-action';
import { EveryLoci, Loci } from '../../../mol-model/loci';
import { deepEqual } from '../../../mol-util';
import { ColorValueParam, ColorParams, ColorProps, DimLightness, LightnessParams, LodParams, MesoscaleGroup, MesoscaleGroupProps, OpacityParams, SimpleClipParams, SimpleClipProps, createClipMapping, getClipObjects, getDistinctGroupColors, RootParams, MesoscaleState, getRoots, getAllGroups, getAllLeafGroups, getFilteredEntities, getAllFilteredEntities, getGroups, getEntities, getAllEntities, getEntityLabel, updateColors, getGraphicsModeProps, GraphicsMode, MesoscaleStateParams, setGraphicsCanvas3DProps, PatternParams, expandAllGroups, EmissiveParams } from '../data/state';
import React from 'react';
import { ColorValueParam, ColorParams, ColorProps, DimLightness, LightnessParams, LodParams, MesoscaleGroup, MesoscaleGroupProps, OpacityParams, SimpleClipParams, SimpleClipProps, createClipMapping, getClipObjects, getDistinctGroupColors, RootParams, MesoscaleState, getRoots, getAllGroups, getAllLeafGroups, getFilteredEntities, getAllFilteredEntities, getGroups, getEntities, getAllEntities, getEntityLabel, updateColors, getGraphicsModeProps, GraphicsMode, MesoscaleStateParams, setGraphicsCanvas3DProps, PatternParams, expandAllGroups, EmissiveParams, IllustrativeParams, getCellDescription, getEntityDescription, getEveryEntity } from '../data/state';
import React, { useState } from 'react';
import { MesoscaleExplorerState } from '../app';
import { StructureElement } from '../../../mol-model/structure/structure/element';
import { PluginStateObject as PSO } from '../../../mol-plugin-state/objects';
import { Structure } from '../../../mol-model/structure';
import { PluginContext } from '../../../mol-plugin/context';
import { Sphere3D } from '../../../mol-math/geometry';
import { MesoFocusLoci } from '../behavior/camera';
import Markdown from 'react-markdown';
import { combineLatest } from 'rxjs';
function centerLoci(plugin: PluginContext, loci: Loci, durationMs = 250) {
const { canvas3d } = plugin;
@@ -60,6 +63,7 @@ export class ModelInfo extends PluginUIComponent<{}, { isDisabled: boolean }> {
if (!state.description && !state.link) return;
return {
selectionDescription: state.focusInfo,
description: state.description,
link: state.link,
};
@@ -68,7 +72,7 @@ export class ModelInfo extends PluginUIComponent<{}, { isDisabled: boolean }> {
render() {
const info = this.info;
return info && <>
<div className='msp-help-text'>
<div id='modelinfo' className='msp-help-text'>
<div>{info.description}</div>
<div><a href={info.link} target='_blank'>Source</a></div>
</div>
@@ -101,17 +105,20 @@ export class SelectionInfo extends PluginUIComponent<{}, { isDisabled: boolean }
}
get info() {
const info: { label: string, key: string }[] = [];
const infos: { label: string, key: string, description?: string }[] = [];
this.plugin.managers.structure.selection.entries.forEach((e, k) => {
if (StructureElement.Loci.is(e.selection) && !StructureElement.Loci.isEmpty(e.selection)) {
const cell = this.plugin.helpers.substructureParent.get(e.selection.structure);
info.push({
const { entities } = e.selection.structure.model;
const description = entities.data.pdbx_description.value(0)[0] || 'model';
infos.push({
description: description,
label: cell?.obj?.label || 'Unknown',
key: k,
});
}
});
return info;
return infos;
}
find(label: string) {
@@ -133,31 +140,40 @@ export class SelectionInfo extends PluginUIComponent<{}, { isDisabled: boolean }
const loci = Structure.toStructureElementLoci(e.selection.structure);
centerLoci(this.plugin, loci);
const cell = this.plugin.helpers.substructureParent.get(loci.structure);
const d = getCellDescription(cell!); // '### ' + cell?.obj?.label + '\n\n' + cell?.obj?.description;
MesoscaleState.set(this.plugin, { focusInfo: `${d}` });
}
get selection() {
const info = this.info;
const help_selection = <><div>Use <i>ctrl+left</i> to select entities, either on the 3D canvas or in the tree below</div><div>Use <i>shift+left</i> to select individual chain on the 3D canvas</div></>;
if (!info.length) return <>
<div className='msp-help-text'>
<div>Use <i>ctrl+left click</i> to select entities, either on the 3D canvas or in the tree below</div>
<div id='seleinfo' className='msp-help-text'>
{help_selection}
</div>
</>;
return <>
{info.map((entry, index) => {
const label = <Button className={`msp-btn-tree-label`} noOverflow disabled={this.state.isDisabled}
onClick={() => this.center(entry.key)}
>
<span title={entry.label}>{entry.label}</span>
</Button>;
const find = <IconButton svg={SearchSvg} toggleState={false} disabled={this.state.isDisabled} small onClick={() => this.find(entry.label)} />;
const remove = <IconButton svg={CloseSvg} toggleState={false} disabled={this.state.isDisabled} onClick={() => this.remove(entry.key)} />;
return <div key={index} className={`msp-flex-row`} style={{ margin: `1px 5px 1px ${1 * 10 + 5}px` }}>
{label}
{find}
{remove}
</div>;
})}
<div id='seleinfo'>
{info.map((entry, index) => {
const label = <Button className={`msp-btn-tree-label`} noOverflow disabled={this.state.isDisabled}
onClick={() => this.center(entry.key)}
>
<span title={entry.label}>
{entry.label}
</span>
</Button>;
const find = <IconButton svg={SearchSvg} toggleState={false} disabled={this.state.isDisabled} small onClick={() => this.find(entry.label)} />;
const remove = <IconButton svg={CloseSvg} toggleState={false} disabled={this.state.isDisabled} onClick={() => this.remove(entry.key)} />;
return <>
<div key={index} className={`msp-flex-row`} style={{ margin: `1px 5px 1px ${1 * 10 + 5}px` }}>
{label}
{find}
{remove}
</div>
</>;
})};
</div>
</>;
}
@@ -216,7 +232,7 @@ export class SelectionInfo extends PluginUIComponent<{}, { isDisabled: boolean }
renderStyle() {
const style = this.style || '';
return <div style={{ margin: '5px', marginBottom: '10px' }}>
return <div id='selestyle' style={{ margin: '5px', marginBottom: '10px' }}>
<SelectControl name={'Style'} param={SelectionStyleParam} value={style} onChange={(e) => { this.setStyle(e.value); }} />
</div>;
}
@@ -229,6 +245,192 @@ export class SelectionInfo extends PluginUIComponent<{}, { isDisabled: boolean }
}
}
export function MesoMarkdownAnchor({ href, children, element }: { href?: string, children?: any, element?: any }) {
const plugin = React.useContext(PluginReactContext);
if (!href) return element;
// Decode the href to handle encoded spaces and other characters
const decodedHref = href ? decodeURIComponent(href) : '';
const handleHover = (e: React.MouseEvent<HTMLAnchorElement, MouseEvent>) => {
e.preventDefault();
if (decodedHref.startsWith('i')) {
plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
const query_names = decodedHref.substring(1).split(',');
for (const query_name of query_names) {
const entities = getEveryEntity(plugin, query_name);
for (const r of entities) {
const repr = r.obj?.data.repr;
if (repr) {
plugin.canvas3d?.mark({ repr, loci: EveryLoci }, MarkerAction.Highlight);
}
}
}
} else if (decodedHref.startsWith('g')) {
plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
const qindex = decodedHref.indexOf('.');
const query = decodedHref.substring(1, qindex) + ':';
const query_names = decodedHref.substring(qindex + 1).split(',');
for (const query_name of query_names) {
const e = getAllEntities(plugin, query + query_name);
for (const r of e) {
const repr = r.obj?.data.repr;
if (repr) {
plugin.canvas3d?.mark({ repr, loci: EveryLoci }, MarkerAction.Highlight);
}
}
}
}
};
const handleLeave = (e: React.MouseEvent<HTMLAnchorElement, MouseEvent>) => {
// Implement your hover off logic here
// Example: Perform an action if the href starts with 'h'
if (decodedHref.startsWith('i') || decodedHref.startsWith('g')) {
// Example hover off action
e.preventDefault();
plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
}
};
const handleClick = (e: React.MouseEvent<HTMLAnchorElement, MouseEvent>) => {
e.preventDefault();
if (href.startsWith('#')) {
plugin.managers.snapshot.applyKey(decodedHref.substring(1));
} else if (decodedHref.startsWith('i')) {
plugin.managers.interactivity.lociSelects.deselectAll();
plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
const query_names = decodedHref.substring(1).split(',');
for (const query_name of query_names) {
const entities = getFilteredEntities(plugin, '', query_name);
for (const r of entities) {
const repr = r.obj?.data.repr;
if (repr) {
plugin.canvas3d?.mark({ repr, loci: EveryLoci }, MarkerAction.Highlight);
}
const cell = r as StateObjectCell<PSO.Molecule.Structure.Representation3D | PSO.Shape.Representation3D> | undefined;
if (!(cell?.obj?.data.sourceData instanceof Structure)) {
return;
}
const loci = Structure.toStructureElementLoci(cell.obj.data.sourceData);
plugin.managers.interactivity.lociSelects.toggle({ loci }, false);
}
}
} else if (decodedHref.startsWith('g')) {
plugin.managers.interactivity.lociSelects.deselectAll();
plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
const qindex = decodedHref.indexOf('.');
const query = decodedHref.substring(1, qindex) + ':';
const query_names = decodedHref.substring(qindex + 1).split(',');
for (const query_name of query_names) {
const entities = getAllEntities(plugin, query + query_name);
for (const r of entities) {
const repr = r.obj?.data.repr;
if (repr) {
plugin.canvas3d?.mark({ repr, loci: EveryLoci }, MarkerAction.Highlight);
}
const cell = r as StateObjectCell<PSO.Molecule.Structure.Representation3D | PSO.Shape.Representation3D> | undefined;
if (!(cell?.obj?.data.sourceData instanceof Structure)) return;
const loci = Structure.toStructureElementLoci(cell.obj.data.sourceData);
plugin.managers.interactivity.lociSelects.toggle({ loci }, false);
}
}
} else {
// open the link in a new tab
window.open(decodedHref, '_blank');
}
};
if (decodedHref[0] === '#') {
return <a href={decodedHref[0]} onMouseOver={handleHover} onClick={handleClick}>{children}</a>;
}
if (decodedHref[0] === 'i' || decodedHref[0] === 'g') {
return <a href={decodedHref[0]} onMouseLeave={handleLeave} onMouseOver={handleHover} onClick={handleClick}>{children}</a>;
}
if (decodedHref[0] === 'h') {
return <a href={decodedHref[0]} onClick={handleClick} rel='noopener noreferrer'>{children}</a>;
}
return element;
}
export function MesoViewportSnapshotDescription() {
let tSize = 14;
const plugin = React.useContext(PluginReactContext);
if (MesoscaleState.has(plugin)) {
const state = MesoscaleState.get(plugin);
tSize = state.textSizeDescription;
}
const [_, setV] = React.useState(0);
const [isShown, setIsShown] = useState(true);
const [textSize, setTextSize] = useState(tSize);
const toggleVisibility = () => {
setIsShown(!isShown);
};
const increaseTextSize = () => {
setTextSize(prevSize => Math.min(prevSize + 2, 50)); // Increase the text size by 2px, but not above 50px
};
const decreaseTextSize = () => {
setTextSize(prevSize => Math.max(prevSize - 2, 2)); // Decrease the text size by 2px, but not below 2px
};
React.useEffect(() => {
const sub = plugin.managers.snapshot.events.changed.subscribe(() => setV(v => v + 1));
return () => sub.unsubscribe();
}, [plugin]);
const current = plugin.managers.snapshot.state.current;
if (!current) return null;
const e = plugin.managers.snapshot.getEntry(current)!;
if (!e?.description?.trim()) return null;
if (MesoscaleState.has(plugin)) {
MesoscaleState.set(plugin, { textSizeDescription: textSize });
}
const showInfo = <IconButton svg={isShown ? TooltipTextSvg : TooltipTextOutlineSvg} flex='20px' onClick={toggleVisibility} title={isShown ? 'Hide Description' : 'Show Description'}/>;
const increasePoliceSize = <IconButton svg={PlusBoxSvg} flex='20px' onClick={increaseTextSize} title='Bigger Text' />;
const decreasePoliceSize = <IconButton svg={MinusBoxSvg} flex='20px' onClick={decreaseTextSize} title='Smaller Text' />;
return (
<>
<div id='snapinfoctrl' className="msp-state-snapshot-viewport-controls" style={{ marginRight: '30px' }}>
{showInfo}{increasePoliceSize}{decreasePoliceSize}
</div>
<div id='snapinfo' className={`msp-snapshot-description-me ${isShown ? 'shown' : 'hidden'}`} style={{ fontSize: `${textSize}px` }}>
{<Markdown skipHtml={false} components={{ a: MesoMarkdownAnchor }}>{e.description}</Markdown>}
</div>
</>
);
}
export class FocusInfo extends PluginUIComponent<{}, { isDisabled: boolean }> {
componentDidMount() {
this.subscribe(combineLatest([
this.plugin.state.data.behaviors.isUpdating,
this.plugin.managers.structure.selection.events.changed
]), ([isUpdating]) => {
if (!isUpdating) this.forceUpdate();
});
}
get info() {
let focusInfo = '';
if (MesoscaleState.has(this.plugin)) {
const state = MesoscaleState.get(this.plugin);
if (state.focusInfo) focusInfo = state.focusInfo;
}
return focusInfo;
}
render() {
const focusInfo = this.info;
const description = (focusInfo !== '') ? <Markdown skipHtml components={{ a: MesoMarkdownAnchor }}>{focusInfo}</Markdown> : '';
return <>
<div id='focusinfo' className='msp-help-text'>
{description}
</div>
</>;
}
}
export class EntityControls extends PluginUIComponent<{}, { isDisabled: boolean }> {
filterRef = React.createRef<HTMLInputElement>();
prevFilter = '';
@@ -336,7 +538,7 @@ export class EntityControls extends PluginUIComponent<{}, { isDisabled: boolean
renderGraphics() {
const graphics = this.graphics;
return <div style={{ margin: '5px', marginBottom: '10px' }}>
return <div id='graphicsquality' style={{ margin: '5px', marginBottom: '10px' }}>
<SelectControl name={'Graphics'} param={MesoscaleStateParams.graphics} value={`${graphics}`} onChange={(e) => { this.setGraphics(e.value); }} />
</div>;
}
@@ -363,7 +565,7 @@ export class EntityControls extends PluginUIComponent<{}, { isDisabled: boolean
return <>
{this.renderGraphics()}
<div className={`msp-flex-row msp-control-row`} style={{ margin: '5px', marginBottom: '10px' }}>
<div id='searchtree' className={`msp-flex-row msp-control-row`} style={{ margin: '5px', marginBottom: '10px' }}>
<input type='text' ref={this.filterRef}
value={filter}
placeholder='Search'
@@ -373,10 +575,12 @@ export class EntityControls extends PluginUIComponent<{}, { isDisabled: boolean
/>
<IconButton svg={CloseSvg} toggleState={false} disabled={disabled} onClick={() => this.setFilter('')} />
</div>
{options.length > 1 && <div style={{ margin: '5px', marginBottom: '10px' }}>
{options.length > 1 && <div id='grouptree' style={{ margin: '5px', marginBottom: '10px' }}>
<SelectControl name={'Group By'} param={groupParam} value={`${groupBy}`} onChange={(e) => { this.setGroupBy(parseInt(e.value)); }} />
</div>}
<GroupNode filter={filter} cell={root} depth={0} />
<div id='tree' style={{ position: 'relative', overflowY: 'auto', borderBottom: '1px solid #000', maxHeight: '600px' }}>
<GroupNode filter={filter} cell={root} depth={0} />
</div>
</>;
}
}
@@ -435,6 +639,12 @@ export class GroupNode extends Node<{ filter: string }, { isCollapsed: boolean,
this.setState({ action: this.state.action === 'root' ? undefined : 'root' });
};
showInfo = (e: React.MouseEvent<HTMLElement>) => {
e.preventDefault();
const d = getCellDescription(this.cell); // '### ' + this.cell?.obj?.label + '\n\n' + this.cell?.obj?.description;
MesoscaleState.set(this.plugin, { focusInfo: `${d}` });
};
highlight = (e: React.MouseEvent<HTMLElement>) => {
e.preventDefault();
this.plugin.canvas3d?.mark({ loci: EveryLoci }, MarkerAction.RemoveHighlight);
@@ -493,7 +703,7 @@ export class GroupNode extends Node<{ filter: string }, { isCollapsed: boolean,
updateColor = (values: ColorProps) => {
const update = this.plugin.state.data.build();
const { value, type, lightness, alpha, emissive } = values;
const { value, illustrative, type, lightness, alpha, emissive } = values;
const entities = this.filteredEntities;
@@ -507,8 +717,11 @@ export class GroupNode extends Node<{ filter: string }, { isCollapsed: boolean,
const c = type === 'generate' ? groupColors[i] : value;
update.to(entities[i]).update(old => {
if (old.type) {
old.colorTheme.params.value = c;
old.colorTheme.params.lightness = lightness;
if (illustrative) {
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: c, lightness } } } };
} else {
old.colorTheme = { name: 'uniform', params: { value: c, lightness } };
}
old.type.params.alpha = alpha;
old.type.params.xrayShaded = alpha < 1 ? 'inverted' : false;
old.type.params.emissive = emissive;
@@ -536,7 +749,7 @@ export class GroupNode extends Node<{ filter: string }, { isCollapsed: boolean,
};
updateRoot = async (values: PD.Values) => {
await updateColors(this.plugin, values, this.cell.params?.values.tag, this.props.filter);
await updateColors(this.plugin, values, undefined, this.cell.params?.values.tag, this.props.filter);
const update = this.plugin.state.data.build();
@@ -655,6 +868,7 @@ export class GroupNode extends Node<{ filter: string }, { isCollapsed: boolean,
const label = <Button className={`msp-btn-tree-label`} noOverflow disabled={disabled}
onMouseEnter={this.highlight}
onMouseLeave={this.clearHighlight}
onClick={this.showInfo}
>
<span title={groupLabel}>{groupLabel}</span>
</Button>;
@@ -774,18 +988,63 @@ export class EntityNode extends Node<{}, { action?: 'color' | 'clip', isDisabled
if (e.ctrlKey) {
this.toggleSelect(e);
} else {
this.center(e);
const d = getEntityDescription(this.plugin, this.cell);
if (this.cell?.obj?.data.sourceData.state.models.length !== 0) {
const repr = this.cell?.obj?.data.repr;
if (repr) {
// for fiber need to think how to handle.
const aloci = repr.getAllLoci()[0];
const locis = Loci.normalize(aloci, 'chainInstances') as StructureElement.Loci;
const nChain = aloci.structure.state.unitSymmetryGroups.length;
let index = MesoscaleState.get(this.plugin).index + 1;
if (index * nChain >= locis.elements.length) index = 0;
const elems = locis.elements.slice(index * nChain, ((index + 1) * nChain)); // end index is not included
const loci = StructureElement.Loci(aloci.structure, elems);
const sphere = Loci.getBoundingSphere(loci) || Sphere3D();
const state = this.plugin.state.behaviors;
const selections = state.select(StateSelection.Generators.ofTransformer(MesoFocusLoci));
const params = selections.length === 1 ? selections[0].obj?.data.params : undefined;
if (!params.centerOnly) {
this.plugin.managers.camera.focusSphere(sphere, params);
} else {
const snapshot = this.plugin.canvas3d?.camera.getCenter(sphere.center);
this.plugin.canvas3d?.requestCameraReset({ durationMs: params.durationMs, snapshot });
}
MesoscaleState.set(this.plugin, { index: index, focusInfo: `${d}` });
}
} else {
this.center(e);
MesoscaleState.set(this.plugin, { focusInfo: `${d}` });
}
}
};
get colorValue(): Color | undefined {
return this.cell.transform.params?.colorTheme?.params.value ?? this.cell.transform.params?.coloring?.params.color;
if (this.cell.transform.params?.colorTheme?.params.value) {
return this.cell.transform.params?.colorTheme?.params.value;
} else if (this.cell.transform.params?.colorTheme?.name === 'illustrative') {
return this.cell.transform.params?.colorTheme?.params.style.params.value;
} else {
return this.cell.transform.params?.colorTheme?.params.value ?? this.cell.transform.params?.coloring?.params.color;
}
}
get illustrativeValue(): { illustrative: boolean } | undefined {
return {
illustrative: (this.cell.transform.params?.colorTheme?.name === 'illustrative')
};
}
get lightnessValue(): { lightness: number } | undefined {
return {
lightness: this.cell.transform.params?.colorTheme?.params.lightness ?? this.cell.transform.params?.coloring?.params.lightness ?? 0
};
if (this.cell.transform.params?.colorTheme?.name === 'illustrative') {
return {
lightness: this.cell.transform.params?.colorTheme?.params.style.params.lightness ?? 0
};
} else {
return {
lightness: this.cell.transform.params?.colorTheme?.params.lightness ?? this.cell.transform.params?.coloring?.params.lightness ?? 0
};
}
}
get opacityValue(): { alpha: number } | undefined {
@@ -838,7 +1097,11 @@ export class EntityNode extends Node<{}, { action?: 'color' | 'clip', isDisabled
}
update.to(this.ref).update(old => {
if (old.colorTheme) {
old.colorTheme.params.value = value;
if (old.colorTheme.name === 'illustrative') {
old.colorTheme.params.style.params.value = value;
} else {
old.colorTheme.params.value = value;
}
} else if (old.coloring) {
old.coloring.params.color = value;
}
@@ -846,10 +1109,26 @@ export class EntityNode extends Node<{}, { action?: 'color' | 'clip', isDisabled
update.commit();
};
updateIllustrative = (values: PD.Values) => {
return this.plugin.build().to(this.ref).update(old => {
if (old.colorTheme) {
if (old.colorTheme.name !== 'illustrative' && values.illustrative) {
old.colorTheme = { name: 'illustrative', params: { style: { name: 'uniform', params: { value: old.colorTheme.params.value, lightness: old.colorTheme.params.lightness } } } };
} else if (old.colorTheme.name === 'illustrative' && !values.illustrative) {
old.colorTheme = { name: 'uniform', params: { value: old.colorTheme.params.style.params.value, lightness: old.colorTheme.params.style.params.lightness } };
}
}
}).commit();
};
updateLightness = (values: PD.Values) => {
return this.plugin.build().to(this.ref).update(old => {
if (old.colorTheme) {
old.colorTheme.params.lightness = values.lightness;
if (old.colorTheme.name === 'illustrative') {
old.colorTheme.params.style.params.lightness = values.lightness;
} else {
old.colorTheme.params.lightness = values.lightness;
}
} else if (old.coloring) {
old.coloring.params.lightness = values.lightness;
}
@@ -924,6 +1203,7 @@ export class EntityNode extends Node<{}, { action?: 'color' | 'clip', isDisabled
const depth = this.props.depth;
const colorValue = this.colorValue;
const lightnessValue = this.lightnessValue;
const illustrativeValue = this.illustrativeValue;
const opacityValue = this.opacityValue;
const emissiveValue = this.emissiveValue;
const lodValue = this.lodValue;
@@ -953,6 +1233,7 @@ export class EntityNode extends Node<{}, { action?: 'color' | 'clip', isDisabled
<ControlGroup header='Color' initialExpanded={true} hideExpander={true} hideOffset={true} onHeaderClick={this.toggleColor}
topRightIcon={CloseSvg} noTopMargin childrenClassName='msp-viewport-controls-panel-controls'>
<CombinedColorControl param={ColorValueParam} value={colorValue ?? Color(0xFFFFFF)} onChange={this.updateColor} name='color' hideNameRow />
<ParameterControls params={IllustrativeParams} values={illustrativeValue} onChangeValues={this.updateIllustrative} />
<ParameterControls params={LightnessParams} values={lightnessValue} onChangeValues={this.updateLightness} />
<ParameterControls params={OpacityParams} values={opacityValue} onChangeValues={this.updateOpacity} />
<ParameterControls params={EmissiveParams} values={emissiveValue} onChangeValues={this.updateEmissive} />

View File

@@ -5,20 +5,63 @@
*/
import { Mp4EncoderUI } from '../../../extensions/mp4-export/ui';
import { PluginUIComponent } from '../../../mol-plugin-ui/base';
import { CollapsableControls, CollapsableState, PluginUIComponent } from '../../../mol-plugin-ui/base';
import { SectionHeader } from '../../../mol-plugin-ui/controls/common';
import { ParameterControls } from '../../../mol-plugin-ui/controls/parameters';
import { PluginCommands } from '../../../mol-plugin/commands';
import { StructureMeasurementsControls } from '../../../mol-plugin-ui/structure/measurements';
import { MesoscaleExplorerState } from '../app';
import { MesoscaleState } from '../data/state';
import { EntityControls, ModelInfo, SelectionInfo } from './entities';
import { LoaderControls, ExampleControls, SessionControls, SnapshotControls, DatabaseControls } from './states';
import { EntityControls, FocusInfo, ModelInfo, SelectionInfo } from './entities';
import { LoaderControls, ExampleControls, SessionControls, SnapshotControls, DatabaseControls, MesoQuickStylesControls, ExplorerInfo } from './states';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { TuneSvg } from '../../../mol-plugin-ui/controls/icons';
import { RendererParams } from '../../../mol-gl/renderer';
import { TrackballControlsParams } from '../../../mol-canvas3d/controls/trackball';
const Spacer = () => <div style={{ height: '2em' }} />;
const ViewportParams = {
renderer: PD.Group(RendererParams),
trackball: PD.Group(TrackballControlsParams),
};
class ViewportSettingsUI extends CollapsableControls<{}, {}> {
protected defaultState(): CollapsableState {
return {
header: 'Viewport Settings',
isCollapsed: true,
brand: { accent: 'cyan', svg: TuneSvg }
};
}
protected renderControls(): JSX.Element | null {
return <>
{this.plugin.canvas3d && this.plugin.canvas3dContext && <>
<ParameterControls params={ViewportParams} values={this.plugin.canvas3d.props} onChange={this.setSettings} />
</>}
</>;
}
private setSettings = (p: { param: PD.Base<any>, name: string, value: any }) => {
PluginCommands.Canvas3D.SetSettings(this.plugin, { settings: { [p.name]: p.value } });
};
componentDidMount() {
this.subscribe(this.plugin.events.canvas3d.settingsUpdated, () => this.forceUpdate());
this.subscribe(this.plugin.layout.events.updated, () => this.forceUpdate());
}
}
export class LeftPanel extends PluginUIComponent {
render() {
const customState = this.plugin.customState as MesoscaleExplorerState;
return <div className='msp-scrollable-container'>
{customState.driver && <>
<ExplorerInfo />
<Spacer />
</>}
<SectionHeader title='Database' />
<DatabaseControls />
<Spacer />
@@ -42,6 +85,7 @@ export class LeftPanel extends PluginUIComponent {
<Spacer />
<Mp4EncoderUI />
<ViewportSettingsUI />
</div>;
}
}
@@ -59,6 +103,13 @@ export class RightPanel extends PluginUIComponent<{}, { isDisabled: boolean }> {
);
}
get hasFocusInfo() {
return (
MesoscaleState.has(this.plugin) &&
!!(MesoscaleState.get(this.plugin).focusInfo !== '')
);
}
componentDidMount() {
this.subscribe(this.plugin.state.data.behaviors.isUpdating, v => {
this.setState({ isDisabled: v });
@@ -89,10 +140,18 @@ export class RightPanel extends PluginUIComponent<{}, { isDisabled: boolean }> {
<SectionHeader title='Selection' />
<SelectionInfo />
<Spacer />
<StructureMeasurementsControls initiallyCollapsed={true}/>
</>
<MesoQuickStylesControls />
<Spacer />
<SectionHeader title='Entities' />
<EntityControls />
<Spacer />
{this.hasFocusInfo && <>
<SectionHeader title='Focus Info' />
<FocusInfo />
<Spacer />
</>}
</div>;
}
}
}

View File

@@ -1,15 +1,17 @@
/**
* Copyright (c) 2022-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import Markdown from 'react-markdown';
import { MmcifFormat } from '../../../mol-model-formats/structure/mmcif';
import { MmcifProvider } from '../../../mol-plugin-state/formats/trajectory';
import { StructureComponentManager } from '../../../mol-plugin-state/manager/structure/component';
import { PluginStateObject } from '../../../mol-plugin-state/objects';
import { PluginUIComponent } from '../../../mol-plugin-ui/base';
import { Button, ExpandGroup } from '../../../mol-plugin-ui/controls/common';
import { GetAppSvg, Icon, OpenInBrowserSvg } from '../../../mol-plugin-ui/controls/icons';
import { Button, ExpandGroup, IconButton } from '../../../mol-plugin-ui/controls/common';
import { GetAppSvg, HelpOutlineSvg, MagicWandSvg, TourSvg, Icon, OpenInBrowserSvg } from '../../../mol-plugin-ui/controls/icons';
import { CollapsableControls, PluginUIComponent } from '../../../mol-plugin-ui/base';
import { ApplyActionControl } from '../../../mol-plugin-ui/state/apply-action';
import { LocalStateSnapshotList, LocalStateSnapshotParams, LocalStateSnapshots } from '../../../mol-plugin-ui/state/snapshots';
import { PluginCommands } from '../../../mol-plugin/commands';
@@ -24,7 +26,7 @@ import { createCellpackHierarchy } from '../data/cellpack/preset';
import { createGenericHierarchy } from '../data/generic/preset';
import { createMmcifHierarchy } from '../data/mmcif/preset';
import { createPetworldHierarchy } from '../data/petworld/preset';
import { MesoscaleState, MesoscaleStateObject, setGraphicsCanvas3DProps } from '../data/state';
import { MesoscaleState, MesoscaleStateObject, setGraphicsCanvas3DProps, updateColors } from '../data/state';
function adjustPluginProps(ctx: PluginContext) {
ctx.managers.interactivity.setProps({ granularity: 'chain' });
@@ -77,6 +79,7 @@ function adjustPluginProps(ctx: PluginContext) {
radius: 5,
bias: 1,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
@@ -269,7 +272,7 @@ export class DatabaseControls extends PluginUIComponent {
}
render() {
return <div style={{ margin: '5px' }}>
return <div id='database' style={{ margin: '5px' }}>
<ApplyActionControl state={this.plugin.state.data} action={LoadDatabase} nodeRef={this.plugin.state.data.tree.root.ref} applyLabel={'Load'} hideHeader />
</div>;
}
@@ -281,7 +284,7 @@ export class LoaderControls extends PluginUIComponent {
}
render() {
return <div style={{ margin: '5px' }}>
return <div id='loader' style={{ margin: '5px' }}>
<ApplyActionControl state={this.plugin.state.data} action={LoadModel} nodeRef={this.plugin.state.data.tree.root.ref} applyLabel={'Load'} hideHeader />
</div>;
}
@@ -293,7 +296,7 @@ export class ExampleControls extends PluginUIComponent {
}
render() {
return <div style={{ margin: '5px' }}>
return <div id='example' style={{ margin: '5px' }}>
<ApplyActionControl state={this.plugin.state.data} action={LoadExample} nodeRef={this.plugin.state.data.tree.root.ref} applyLabel={'Load'} hideHeader />
</div>;
}
@@ -330,7 +333,7 @@ export class SessionControls extends PluginUIComponent {
};
render() {
return <div style={{ margin: '5px' }}>
return <div id='session' style={{ margin: '5px' }}>
<div className='msp-flex-row'>
<Button icon={GetAppSvg} onClick={this.downloadToFileZip} title='Download the state.'>
Download
@@ -346,14 +349,14 @@ export class SessionControls extends PluginUIComponent {
export class SnapshotControls extends PluginUIComponent<{}> {
render() {
return <div style={{ margin: '5px' }}>
<div style={{ marginBottom: '10px' }}>
<div id='snaplist' style={{ marginBottom: '10px' }}>
<LocalStateSnapshotList />
</div>
<div style={{ marginBottom: '10px' }}>
<div id='snap' style={{ marginBottom: '10px' }}>
<LocalStateSnapshots />
</div>
<div style={{ marginBottom: '10px' }}>
<div id='snapoption' style={{ marginBottom: '10px' }}>
<ExpandGroup header='Snapshot Options' initiallyExpanded={false}>
<LocalStateSnapshotParams />
</ExpandGroup>
@@ -361,3 +364,497 @@ export class SnapshotControls extends PluginUIComponent<{}> {
</div>;
}
}
export class ExplorerInfo extends PluginUIComponent<{}, { isDisabled: boolean, showHelp: boolean }> {
state = {
isDisabled: false,
showHelp: false
};
componentDidMount() {
this.subscribe(this.plugin.state.data.behaviors.isUpdating, v => {
this.setState({ isDisabled: v });
});
this.subscribe(this.plugin.state.events.cell.stateUpdated, e => {
if (!this.state.isDisabled && MesoscaleState.has(this.plugin) && MesoscaleState.ref(this.plugin) === e.ref) {
this.forceUpdate();
}
});
}
setupDriver = () => {
// setup the tour of the interface
const driver = (this.plugin.customState as MesoscaleExplorerState).driver;
if (!driver) return;
driver.setSteps([
// Left panel
{ element: '#explorerinfo', popover: { title: 'Explorer Header Info', description: 'This section displays the explorer header with version information, documentation access, and tour navigation. Use the right and left arrow keys to navigate the tour.', side: 'left', align: 'start' } },
{ element: '#database', popover: { title: 'Import from PDB', description: 'Load structures directly from PDB and PDB-DEV databases.', side: 'bottom', align: 'start' } },
{ element: '#loader', popover: { title: 'Import from File', description: 'Load local files (.molx, .molj, .zip, .cif, .bcif) using this option.', side: 'bottom', align: 'start' } },
{ element: '#example', popover: { title: 'Example Models and Tours', description: 'Select from a range of example models and tours provided.', side: 'left', align: 'start' } },
{ element: '#session', popover: { title: 'Session Management', description: 'Download the current session in .molx format.', side: 'top', align: 'start' } },
{ element: '#snaplist', popover: { title: 'Snapshot List', description: 'View and manage the list of snapshots. You can reorder them and edit their titles, keys, and descriptions. Snapshot states cannot be edited.', side: 'right', align: 'start' } },
{ element: '#snap', popover: { title: 'Add Snapshot', description: 'Save the current state (e.g., camera position, color, visibility, etc.) in a snapshot with an optional title, key, and description.', side: 'right', align: 'start' } },
{ element: '#snapoption', popover: { title: 'Snapshot Options', description: 'These options are saved in the snapshot. Set them before adding a snapshot to see their effect during animation playback.', side: 'right', align: 'start' } },
{ element: '#exportanimation', popover: { title: 'Export Animation', description: 'Create movies or scenes with rocking, rotating, or snapshots animations.', side: 'right', align: 'start' } },
{ element: '#viewportsettings', popover: { title: 'Viewport Settings', description: 'Advanced settings for the renderer and trackball.', side: 'right', align: 'start' } },
// Viewport
{ element: '#snapinfo', popover: { title: 'Snapshot Description', description: 'Save the current state (e.g., camera position, color, visibility, etc.) in a snapshot with an optional title, key, and description.', side: 'right', align: 'start' } },
{ element: '#snapinfoctrl', popover: { title: 'Snapshot Description Control', description: 'Control the visibility and text size of the snapshot description widget.', side: 'right', align: 'start' } },
// Right panel
{ element: '#modelinfo', popover: { title: 'Model Information', description: 'Summary information about the model, if available.', side: 'right', align: 'start' } },
{ element: '#selestyle', popover: { title: 'Selection Style', description: 'Choose the rendering style for entity selection accessed via Shift/Ctrl mouse. Options include: Color & Outline, Color, Outline.', side: 'right', align: 'start' } },
{ element: '#seleinfo', popover: { title: 'Selection List', description: 'View the current list of selected entities.', side: 'right', align: 'start' } },
{ element: '#measurements', popover: { title: 'Measurements', description: 'Use this widget to create labels, measure distances, angles, dihedral orientations, and planes for the selected entities.', side: 'right', align: 'start' } },
{ element: '#quickstyles', popover: { title: 'Quick Styles', description: 'Change between a selection of style presets.', side: 'right', align: 'start' } },
{ element: '#graphicsquality', popover: { title: 'Graphics Quality', description: 'Adjust the overall graphics quality. Lower quality improves performance. Options are: Ultra, Quality (Default), Balanced, Performance, Custom. Custom settings use the Culling & LOD values set in the Tree.', side: 'right', align: 'start' } },
{ element: '#searchtree', popover: { title: 'Search', description: 'Filter the entity tree based on your queries.', side: 'right', align: 'start' } },
{ element: '#grouptree', popover: { title: 'Group By', description: 'Change the grouping of the hierarchy tree, e.g., group by instance or by compartment.', side: 'right', align: 'start' } },
{ element: '#tree', popover: { title: 'Tree Hierarchy', description: 'View the hierarchical tree of entity types in the model.', side: 'right', align: 'start' } },
{ element: '#focusinfo', popover: { title: 'Selection Description', description: 'Detailed information about the current selection, if present in the loaded file.', side: 'right', align: 'start' } },
{ popover: { title: 'Happy Exploring!', description: 'Thats all! Go ahead and start exploring or creating mesoscale tours.' } }
]);
driver.refresh();
};
openHelp = () => {
// open a new page with the documentation
window.open('https://molstar.org/me/docs', '_blank');
};
toggleHelp = () => {
const driver = (this.plugin.customState as MesoscaleExplorerState).driver;
if (!driver || !driver.hasNextStep()) {
this.setupDriver();
}
this.setState({ showHelp: !this.state.showHelp }, () => {
if (this.state.showHelp && driver) {
driver.drive(); // start at 0
}
});
};
render() {
const driver = (this.plugin.customState as MesoscaleExplorerState).driver;
if (!driver) return;
const legend = `## Welcome to Mol* Mesoscale Explorer`;
const help = <IconButton svg={HelpOutlineSvg} toggleState={false} small onClick={this.openHelp} title='Open the Documentation' />;
const tour = <IconButton svg={TourSvg} toggleState={false} small onClick={this.toggleHelp} title='Start the interactive tour' />;
return <>
<div id='explorerinfo' style={{ paddingLeft: 4 }} className='msp-help-text'>
<Markdown>{legend}</Markdown>
{tour}{help}
</div>
</>;
}
}
export class MesoQuickStylesControls extends CollapsableControls {
defaultState() {
return {
isCollapsed: true,
header: 'Quick Styles',
brand: { accent: 'gray' as const, svg: MagicWandSvg }
};
}
renderControls() {
return <>
<MesoQuickStyles />
</>;
}
}
export class MesoQuickStyles extends PluginUIComponent {
state = {
celShaded: false,
};
default_color_values = {
type: 'group-generate',
illustrative: false,
value: [1, 1, 1, 1],
variability: 20,
shift: 0,
lightness: 0,
alpha: 1,
emissive: 0
};
illustrative_color_values = {
type: 'group-generate',
illustrative: true,
value: [1, 1, 1, 1],
variability: 20,
shift: 0,
lightness: 0,
alpha: 1,
emissive: 0
};
async default() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.1,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: {
name: 'on',
params: {
bias: 0.6,
maxDistance: 80,
steps: 3,
tolerance: 1.0,
}
},
outline: {
name: 'on',
params: {
scale: 1,
threshold: 0.15,
color: Color(0x000000),
includeTransparent: false,
}
},
dof: { name: 'off', params: {} },
}
});
const loptions = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 } };
const options = { ...loptions, celShaded: false, };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.default_color_values, options);
}
async celshading() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.5,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1.5,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: {
name: 'on',
params: {
bias: 0.4,
maxDistance: 256,
steps: 64,
tolerance: 1.0,
}
},
outline: { name: 'off', params: {} },
dof: { name: 'off', params: {} },
}
});
// ignore Light
const loptions = { ignoreLight: false, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 } };
const options = { ...loptions, celShaded: true, };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.default_color_values, options);
}
async stylizedDof() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.1,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1.3,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: {
name: 'on',
params: {
bias: 0.4,
maxDistance: 256,
steps: 64,
tolerance: 1.0,
}
},
outline: { name: 'off', params: {} },
dof: {
name: 'on',
params: {
blurSize: 9,
blurSpread: 1.0,
inFocus: 0.0,
PPM: 200.0,
center: 'camera-target',
mode: 'sphere',
}
}
}
});
// ignore Light
const loptions = { ignoreLight: false, materialStyle: { metalness: 0, roughness: 0.2, bumpiness: 0 } };
const options = { ...loptions, celShaded: false };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.default_color_values, options);
}
async illustrative() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.5,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1.5,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: {
name: 'on',
params: {
bias: 0.4,
maxDistance: 256,
steps: 64,
tolerance: 1.0,
}
},
outline: {
name: 'on',
params: {
scale: 1,
threshold: 0.15,
color: Color(0x000000),
includeTransparent: false,
}
},
dof: { name: 'off', params: {} },
}
});
// ignore Light
const loptions = { ignoreLight: true, materialStyle: { metalness: 0, roughness: 1.0, bumpiness: 0 } };
const options = { ...loptions, celShaded: false, };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.illustrative_color_values, options);
}
async shiny() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.5,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1.3,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: { name: 'off', params: {} },
outline: { name: 'off', params: {} },
dof: { name: 'off', params: {} },
}
});
// ignore Light
const loptions = { ignoreLight: false, materialStyle: { metalness: 0, roughness: 0.2, bumpiness: 0 } };
const options = { ...loptions, celShaded: false };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.default_color_values, options);
}
async stylized() {
if (!this.plugin.canvas3d) return;
this.plugin.canvas3d.setProps({
renderer: {
exposure: 1.1,
},
postprocessing: {
occlusion: {
name: 'on',
params: {
samples: 32,
multiScale: {
name: 'on',
params: {
levels: [
{ radius: 2, bias: 1.0 },
{ radius: 5, bias: 1.0 },
{ radius: 8, bias: 1.0 },
{ radius: 11, bias: 1.0 },
],
nearThreshold: 10,
farThreshold: 1500,
}
},
radius: 5,
bias: 1.3,
blurKernelSize: 11,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}
},
shadow: {
name: 'on',
params: {
bias: 0.4,
maxDistance: 256,
steps: 64,
tolerance: 1.0,
}
},
outline: {
name: 'on',
params: {
scale: 1,
threshold: 0.15,
color: Color(0x000000),
includeTransparent: false,
}
},
dof: { name: 'off', params: {} },
}
});
// ignore Light
const loptions = { ignoreLight: false, materialStyle: { metalness: 0, roughness: 0.2, bumpiness: 0 } };
const options = { ...loptions, celShaded: false };
await this.plugin.managers.structure.component.setOptions(loptions as StructureComponentManager.Options);
await updateColors(this.plugin, this.illustrative_color_values, options);
}
render() {
return <>
<div className='msp-flex-row'>
<Button noOverflow title='Applies default representation preset and sets outline and occlusion effects to default' onClick={() => this.default()} style={{ width: 'auto' }}>
Default
</Button>
<Button noOverflow title='Applies celShading' onClick={() => this.celshading()} style={{ width: 'auto' }}>
Cel-shaded
</Button>
<Button noOverflow title='Applies illustrative colors preset' onClick={() => this.illustrative()} style={{ width: 'auto' }}>
Illustrative
</Button>
</div>
<div className='msp-flex-row'>
<Button noOverflow title='Apply shiny material to default' onClick={() => this.shiny()} style={{ width: 'auto' }}>
Shiny
</Button>
<Button noOverflow title='Enable shiny material, outline, and illustrative colors' onClick={() => this.stylized()} style={{ width: 'auto' }}>
Shiny-Illustrative
</Button>
<Button noOverflow title='Enable DOF and shiny material' onClick={() => this.stylizedDof()} style={{ width: 'auto' }}>
Shiny-DOF
</Button>
</div>
</>;
}
}

View File

@@ -3,6 +3,7 @@
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Neli Fonseca <neli@ebi.ac.uk>
*/
import { ANVILMembraneOrientation } from '../../extensions/anvil/behavior';
@@ -423,6 +424,34 @@ export class Viewer {
});
}
loadFullResolutionEMDBMap(emdbId: string, options: { isoValue: Volume.IsoValue, color?: Color }) {
const plugin = this.plugin;
const numericId = parseInt(emdbId.toUpperCase().replace('EMD-', ''));
const url = `https://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-${numericId}/map/emd_${numericId}.map.gz`;
return plugin.dataTransaction(async () => {
const data = await plugin.build().toRoot()
.apply(StateTransforms.Data.Download, { url, isBinary: true, label: emdbId }, { state: { isGhost: true } })
.apply(StateTransforms.Data.DeflateData)
.commit();
const parsed = await plugin.dataFormats.get('ccp4')!.parse(plugin, data, { entryId: emdbId });
const firstVolume = (parsed.volume || parsed.volumes[0]) as StateObjectSelector<PluginStateObject.Volume.Data>;
if (!firstVolume?.isOk) throw new Error('Failed to parse any volume.');
const volume: StateObjectSelector<PluginStateObject.Volume.Data> = parsed.volumes?.[0] ?? parsed.volume;
await plugin.build()
.to(volume)
.apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data!, {
type: 'isosurface',
typeParams: { alpha: 1, isoValue: options.isoValue },
color: 'uniform',
colorParams: { value: options.color ?? Color(0x33BB33) }
}))
.commit();
});
}
/**
* @example
* viewer.loadTrajectory({

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -33,6 +33,7 @@ const Canvas3DPresets = {
radius: 5,
bias: 0.8,
blurKernelSize: 15,
blurDepthBias: 0.5,
resolutionScale: 1,
color: Color(0x000000),
}

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2021-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Mandar Deshpande <mandar@ebi.ac.uk>
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
@@ -41,8 +41,13 @@ export function PLDDTConfidenceColorTheme(ctx: ThemeDataContext, props: PD.Value
const getColor = (location: StructureElement.Location): Color => {
const { unit, element } = location;
if (!Unit.isAtomic(unit)) return DefaultColor;
const qualityAssessment = QualityAssessmentProvider.get(unit.model).value;
const score = qualityAssessment?.pLDDT?.get(unit.model.atomicHierarchy.residueAtomSegments.index[element]) ?? -1;
let score = qualityAssessment?.pLDDT?.get(unit.model.atomicHierarchy.residueAtomSegments.index[element]);
if (typeof score !== 'number') {
score = unit.model.atomicConformation.B_iso_or_equiv.value(element);
}
if (score < 0) {
return DefaultColor;
} else if (score <= 50) {
@@ -74,7 +79,7 @@ export function PLDDTConfidenceColorTheme(ctx: ThemeDataContext, props: PD.Value
preferSmoothing: true,
color,
props,
description: 'Assigns residue colors according to the pLDDT Confidence score.',
description: 'Assigns residue colors according to the pLDDT Confidence score. If no Model Archive quality assessment score is available, the B-factor value is used instead.',
legend: ConfidenceColorLegend
};
}
@@ -86,7 +91,7 @@ export const PLDDTConfidenceColorThemeProvider: ColorTheme.Provider<PLDDTConfide
factory: PLDDTConfidenceColorTheme,
getParams: getPLDDTConfidenceColorThemeParams,
defaultValues: PD.getDefaultValues(getPLDDTConfidenceColorThemeParams({})),
isApplicable: (ctx: ThemeDataContext) => !!ctx.structure?.models.some(m => QualityAssessment.isApplicable(m, 'pLDDT')),
isApplicable: (ctx: ThemeDataContext) => !!ctx.structure?.models.some(m => QualityAssessment.isApplicable(m, 'pLDDT') || m.atomicConformation.B_iso_or_equiv.isDefined),
ensureCustomProperties: {
attach: async (ctx: CustomProperty.Context, data: ThemeDataContext) => {
if (data.structure) {

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2018-2019 Mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018-2024 Mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
@@ -87,22 +87,48 @@ class CameraTransitionManager {
namespace CameraTransitionManager {
export type TransitionFunc = (out: Camera.Snapshot, t: number, source: Camera.Snapshot, target: Camera.Snapshot) => void
const _rot = Quat.identity();
const _rotUp = Quat.identity();
const _rotDist = Quat.identity();
const _sourcePosition = Vec3();
const _targetPosition = Vec3();
export function defaultTransition(out: Camera.Snapshot, t: number, source: Camera.Snapshot, target: Camera.Snapshot): void {
Camera.copySnapshot(out, target);
// Rotate up
Quat.slerp(_rot, Quat.Identity, Quat.rotationTo(_rot, source.up, target.up), t);
Vec3.transformQuat(out.up, source.up, _rot);
Quat.slerp(_rotUp, Quat.Identity, Quat.rotationTo(_rotUp, source.up, target.up), t);
Vec3.transformQuat(out.up, source.up, _rotUp);
// Lerp target, position & radius
Vec3.lerp(out.target, source.target, target.target, t);
Vec3.lerp(out.position, source.position, target.position, t);
// Interpolate distance
const distSource = Vec3.distance(source.target, source.position);
const distTarget = Vec3.distance(target.target, target.position);
const dist = lerp(distSource, distTarget, t);
// Rotate between source and targer direction
Vec3.sub(_sourcePosition, source.position, source.target);
Vec3.normalize(_sourcePosition, _sourcePosition);
Vec3.sub(_targetPosition, target.position, target.target);
Vec3.normalize(_targetPosition, _targetPosition);
Quat.rotationTo(_rotDist, _sourcePosition, _targetPosition);
Quat.slerp(_rotDist, Quat.Identity, _rotDist, t);
Vec3.transformQuat(_sourcePosition, _sourcePosition, _rotDist);
Vec3.scale(_sourcePosition, _sourcePosition, dist);
Vec3.add(out.position, out.target, _sourcePosition);
// Interpolate radius
out.radius = lerp(source.radius, target.radius, t);
// TODO take change of `clipFar` into account
out.radiusMax = lerp(source.radiusMax, target.radiusMax, t);
// Lerp fov & fog
// Interpolate fov & fog
out.fov = lerp(source.fov, target.fov, t);
out.fog = lerp(source.fog, target.fog, t);
}

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -54,6 +54,7 @@ export const MultiSampleParams = {
mode: PD.Select('temporal', [['off', 'Off'], ['on', 'On'], ['temporal', 'Temporal']]),
sampleLevel: PD.Numeric(2, { min: 0, max: 5, step: 1 }, { description: 'Take level^2 samples.' }),
reduceFlicker: PD.Boolean(true, { description: 'Reduce flicker in "temporal" mode.' }),
reuseOcclusion: PD.Boolean(true, { description: 'Reuse occlusion data. It is faster but has some artefacts.' }),
};
export type MultiSampleProps = PD.Values<typeof MultiSampleParams>
@@ -161,7 +162,7 @@ export class MultiSamplePass {
ValueCell.update(compose.values.uWeight, sampleWeight);
// render scene
if (i === 0) {
if (i === 0 || !props.multiSample.reuseOcclusion) {
drawPass.postprocessing.setOcclusionOffset(0, 0);
} else {
drawPass.postprocessing.setOcclusionOffset(
@@ -252,7 +253,7 @@ export class MultiSamplePass {
camera.update();
// render scene
if (sampleIndex === 0) {
if (sampleIndex === 0 || !props.multiSample.reuseOcclusion) {
drawPass.postprocessing.setOcclusionOffset(0, 0);
} else {
drawPass.postprocessing.setOcclusionOffset(

View File

@@ -206,6 +206,7 @@ const SsaoBlurSchema = {
uKernel: UniformSpec('f[]'),
dOcclusionKernelSize: DefineSpec('number'),
uBlurDepthBias: UniformSpec('f'),
uBlurDirectionX: UniformSpec('f'),
uBlurDirectionY: UniformSpec('f'),
@@ -227,6 +228,7 @@ function getSsaoBlurRenderable(ctx: WebGLContext, ssaoDepthTexture: Texture, dir
uKernel: ValueCell.create(getBlurKernel(15)),
dOcclusionKernelSize: ValueCell.create(15),
uBlurDepthBias: ValueCell.create(0.5),
uBlurDirectionX: ValueCell.create(direction === 'horizontal' ? 1 : 0),
uBlurDirectionY: ValueCell.create(direction === 'vertical' ? 1 : 0),
@@ -374,6 +376,7 @@ export const PostprocessingParams = {
radius: PD.Numeric(5, { min: 0, max: 20, step: 0.1 }, { description: 'Final occlusion radius is 2^x', hideIf: p => p?.multiScale.name === 'on' }),
bias: PD.Numeric(0.8, { min: 0, max: 3, step: 0.1 }),
blurKernelSize: PD.Numeric(15, { min: 1, max: 25, step: 2 }),
blurDepthBias: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }),
resolutionScale: PD.Numeric(1, { min: 0.1, max: 1, step: 0.05 }, { description: 'Adjust resolution of occlusion calculation' }),
color: PD.Color(Color(0x000000)),
}),
@@ -650,6 +653,9 @@ export class PostprocessingPass {
ValueCell.update(this.ssaoBlurFirstPassRenderable.values.uInvProjection, invProjection);
ValueCell.update(this.ssaoBlurSecondPassRenderable.values.uInvProjection, invProjection);
ValueCell.update(this.ssaoBlurFirstPassRenderable.values.uBlurDepthBias, props.occlusion.params.blurDepthBias);
ValueCell.update(this.ssaoBlurSecondPassRenderable.values.uBlurDepthBias, props.occlusion.params.blurDepthBias);
if (this.ssaoBlurFirstPassRenderable.values.dOrthographic.ref.value !== orthographic) {
needsUpdateSsaoBlur = true;
ValueCell.update(this.ssaoBlurFirstPassRenderable.values.dOrthographic, orthographic);

View File

@@ -168,6 +168,7 @@ export namespace Cylinders {
sizeAspectRatio: PD.Numeric(1, { min: 0, max: 3, step: 0.01 }),
doubleSided: PD.Boolean(false, BaseGeometry.CustomQualityParamInfo),
ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory),
celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
xrayShaded: PD.Select<boolean | 'inverted'>(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory),
transparentBackfaces: PD.Select('off', PD.arrayToOptions(['off', 'on', 'opaque'] as const), BaseGeometry.ShadingCategory),
solidInterior: PD.Boolean(true, BaseGeometry.ShadingCategory),
@@ -259,6 +260,7 @@ export namespace Cylinders {
uSizeFactor: ValueCell.create(props.sizeFactor * props.sizeAspectRatio),
uDoubleSided: ValueCell.create(props.doubleSided),
dIgnoreLight: ValueCell.create(props.ignoreLight),
dCelShaded: ValueCell.create(props.celShaded),
dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'),
dTransparentBackfaces: ValueCell.create(props.transparentBackfaces),
dSolidInterior: ValueCell.create(props.solidInterior),
@@ -279,6 +281,7 @@ export namespace Cylinders {
ValueCell.updateIfChanged(values.uSizeFactor, props.sizeFactor * props.sizeAspectRatio);
ValueCell.updateIfChanged(values.uDoubleSided, props.doubleSided);
ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight);
ValueCell.updateIfChanged(values.dCelShaded, props.celShaded);
ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off');
ValueCell.updateIfChanged(values.dTransparentBackfaces, props.transparentBackfaces);
ValueCell.updateIfChanged(values.dSolidInterior, props.solidInterior);

View File

@@ -148,6 +148,7 @@ export namespace DirectVolume {
export const Params = {
...BaseGeometry.Params,
ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory),
celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
xrayShaded: PD.Select<boolean | 'inverted'>(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory),
controlPoints: PD.LineGraph([
Vec2.create(0.19, 0.0), Vec2.create(0.2, 0.05), Vec2.create(0.25, 0.05), Vec2.create(0.26, 0.0),
@@ -272,6 +273,7 @@ export namespace DirectVolume {
dAxisOrder: ValueCell.create(directVolume.axisOrder.ref.value.join('')),
dIgnoreLight: ValueCell.create(props.ignoreLight),
dCelShaded: ValueCell.create(props.celShaded),
dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'),
};
}
@@ -285,6 +287,7 @@ export namespace DirectVolume {
function updateValues(values: DirectVolumeValues, props: PD.Values<Params>) {
BaseGeometry.updateValues(values, props);
ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight);
ValueCell.updateIfChanged(values.dCelShaded, props.celShaded);
ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off');
const controlPoints = getControlPointsFromVec2Array(props.controlPoints);

View File

@@ -628,6 +628,7 @@ export namespace Mesh {
flipSided: PD.Boolean(false, BaseGeometry.ShadingCategory),
flatShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory),
celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
xrayShaded: PD.Select<boolean | 'inverted'>(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory),
transparentBackfaces: PD.Select('off', PD.arrayToOptions(['off', 'on', 'opaque'] as const), BaseGeometry.ShadingCategory),
bumpFrequency: PD.Numeric(0, { min: 0, max: 10, step: 0.1 }, BaseGeometry.ShadingCategory),
@@ -713,6 +714,7 @@ export namespace Mesh {
dFlatShaded: ValueCell.create(props.flatShaded),
dFlipSided: ValueCell.create(props.flipSided),
dIgnoreLight: ValueCell.create(props.ignoreLight),
dCelShaded: ValueCell.create(props.celShaded),
dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'),
dTransparentBackfaces: ValueCell.create(props.transparentBackfaces),
uBumpFrequency: ValueCell.create(props.bumpFrequency),
@@ -734,6 +736,7 @@ export namespace Mesh {
ValueCell.updateIfChanged(values.dFlatShaded, props.flatShaded);
ValueCell.updateIfChanged(values.dFlipSided, props.flipSided);
ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight);
ValueCell.updateIfChanged(values.dCelShaded, props.celShaded);
ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off');
ValueCell.updateIfChanged(values.dTransparentBackfaces, props.transparentBackfaces);
ValueCell.updateIfChanged(values.uBumpFrequency, props.bumpFrequency);

View File

@@ -247,6 +247,7 @@ export namespace Spheres {
sizeFactor: PD.Numeric(1, { min: 0, max: 10, step: 0.1 }),
doubleSided: PD.Boolean(false, BaseGeometry.CustomQualityParamInfo),
ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory),
celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
xrayShaded: PD.Select<boolean | 'inverted'>(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory),
transparentBackfaces: PD.Select('off', PD.arrayToOptions(['off', 'on', 'opaque'] as const), BaseGeometry.ShadingCategory),
solidInterior: PD.Boolean(true, BaseGeometry.ShadingCategory),
@@ -346,6 +347,7 @@ export namespace Spheres {
uSizeFactor: spheres.shaderData.sizeFactor,
uDoubleSided: ValueCell.create(props.doubleSided),
dIgnoreLight: ValueCell.create(props.ignoreLight),
dCelShaded: ValueCell.create(props.celShaded),
dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'),
dTransparentBackfaces: ValueCell.create(props.transparentBackfaces),
dSolidInterior: ValueCell.create(props.solidInterior),
@@ -372,6 +374,7 @@ export namespace Spheres {
ValueCell.updateIfChanged(values.uSizeFactor, props.sizeFactor);
ValueCell.updateIfChanged(values.uDoubleSided, props.doubleSided);
ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight);
ValueCell.updateIfChanged(values.dCelShaded, props.celShaded);
ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off');
ValueCell.updateIfChanged(values.dTransparentBackfaces, props.transparentBackfaces);
ValueCell.updateIfChanged(values.dSolidInterior, props.solidInterior);

View File

@@ -121,6 +121,7 @@ export namespace TextureMesh {
flipSided: PD.Boolean(false, BaseGeometry.ShadingCategory),
flatShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
ignoreLight: PD.Boolean(false, BaseGeometry.ShadingCategory),
celShaded: PD.Boolean(false, BaseGeometry.ShadingCategory),
xrayShaded: PD.Select<boolean | 'inverted'>(false, [[false, 'Off'], [true, 'On'], ['inverted', 'Inverted']], BaseGeometry.ShadingCategory),
transparentBackfaces: PD.Select('off', PD.arrayToOptions(['off', 'on', 'opaque'] as const), BaseGeometry.ShadingCategory),
bumpFrequency: PD.Numeric(0, { min: 0, max: 10, step: 0.1 }, BaseGeometry.ShadingCategory),
@@ -226,6 +227,7 @@ export namespace TextureMesh {
dFlatShaded: ValueCell.create(props.flatShaded),
dFlipSided: ValueCell.create(props.flipSided),
dIgnoreLight: ValueCell.create(props.ignoreLight),
dCelShaded: ValueCell.create(props.celShaded),
dXrayShaded: ValueCell.create(props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off'),
dTransparentBackfaces: ValueCell.create(props.transparentBackfaces),
uBumpFrequency: ValueCell.create(props.bumpFrequency),
@@ -247,6 +249,7 @@ export namespace TextureMesh {
ValueCell.updateIfChanged(values.dFlatShaded, props.flatShaded);
ValueCell.updateIfChanged(values.dFlipSided, props.flipSided);
ValueCell.updateIfChanged(values.dIgnoreLight, props.ignoreLight);
ValueCell.updateIfChanged(values.dCelShaded, props.celShaded);
ValueCell.updateIfChanged(values.dXrayShaded, props.xrayShaded === 'inverted' ? 'inverted' : props.xrayShaded === true ? 'on' : 'off');
ValueCell.updateIfChanged(values.dTransparentBackfaces, props.transparentBackfaces);
ValueCell.updateIfChanged(values.uBumpFrequency, props.bumpFrequency);

View File

@@ -26,6 +26,7 @@ export const CylindersSchema = {
padding: ValueSpec('number'),
uDoubleSided: UniformSpec('b', 'material'),
dIgnoreLight: DefineSpec('boolean'),
dCelShaded: DefineSpec('boolean'),
dXrayShaded: DefineSpec('string', ['off', 'on', 'inverted']),
dTransparentBackfaces: DefineSpec('string', ['off', 'on', 'opaque']),
dSolidInterior: DefineSpec('boolean'),

View File

@@ -40,6 +40,7 @@ export const DirectVolumeSchema = {
dAxisOrder: DefineSpec('string', ['012', '021', '102', '120', '201', '210']),
dIgnoreLight: DefineSpec('boolean'),
dCelShaded: DefineSpec('boolean'),
dXrayShaded: DefineSpec('string', ['off', 'on', 'inverted']),
};
export type DirectVolumeSchema = typeof DirectVolumeSchema

View File

@@ -22,6 +22,7 @@ export const MeshSchema = {
uDoubleSided: UniformSpec('b', 'material'),
dFlipSided: DefineSpec('boolean'),
dIgnoreLight: DefineSpec('boolean'),
dCelShaded: DefineSpec('boolean'),
dXrayShaded: DefineSpec('string', ['off', 'on', 'inverted']),
dTransparentBackfaces: DefineSpec('string', ['off', 'on', 'opaque']),
uBumpFrequency: UniformSpec('f', 'material'),

View File

@@ -169,6 +169,7 @@ export const GlobalUniformSchema = {
uMarkerAverage: UniformSpec('f'),
uXrayEdgeFalloff: UniformSpec('f'),
uCelSteps: UniformSpec('f'),
uExposure: UniformSpec('f'),
uRenderMask: UniformSpec('i'),

View File

@@ -21,6 +21,7 @@ export const SpheresSchema = {
padding: ValueSpec('number'),
uDoubleSided: UniformSpec('b', 'material'),
dIgnoreLight: DefineSpec('boolean'),
dCelShaded: DefineSpec('boolean'),
dXrayShaded: DefineSpec('string', ['off', 'on', 'inverted']),
dTransparentBackfaces: DefineSpec('string', ['off', 'on', 'opaque']),
dSolidInterior: DefineSpec('boolean'),

View File

@@ -22,6 +22,7 @@ export const TextureMeshSchema = {
uDoubleSided: UniformSpec('b', 'material'),
dFlipSided: DefineSpec('boolean'),
dIgnoreLight: DefineSpec('boolean'),
dCelShaded: DefineSpec('boolean'),
dXrayShaded: DefineSpec('string', ['off', 'on', 'inverted']),
dTransparentBackfaces: DefineSpec('string', ['off', 'on', 'opaque']),
uBumpFrequency: UniformSpec('f', 'material'),

View File

@@ -109,6 +109,7 @@ export const RendererParams = {
markerPriority: PD.Select(1, [[1, 'Highlight'], [2, 'Select']]),
xrayEdgeFalloff: PD.Numeric(1, { min: 0.0, max: 3.0, step: 0.1 }),
celSteps: PD.Numeric(5, { min: 2, max: 16, step: 1 }),
exposure: PD.Numeric(1, { min: 0.0, max: 3.0, step: 0.01 }),
light: PD.ObjectList({
@@ -258,6 +259,7 @@ namespace Renderer {
uMarkerAverage: ValueCell.create(0),
uXrayEdgeFalloff: ValueCell.create(p.xrayEdgeFalloff),
uCelSteps: ValueCell.create(p.celSteps),
uExposure: ValueCell.create(p.exposure),
};
const globalUniformList = Object.entries(globalUniforms);
@@ -853,6 +855,12 @@ namespace Renderer {
p.xrayEdgeFalloff = props.xrayEdgeFalloff;
ValueCell.update(globalUniforms.uXrayEdgeFalloff, p.xrayEdgeFalloff);
}
if (props.celSteps !== undefined && props.celSteps !== p.celSteps) {
p.celSteps = props.celSteps;
ValueCell.update(globalUniforms.uCelSteps, p.celSteps);
}
if (props.exposure !== undefined && props.exposure !== p.exposure) {
p.exposure = props.exposure;
ValueCell.update(globalUniforms.uExposure, p.exposure);

View File

@@ -173,7 +173,7 @@ function ignoreDefine(name: string, variant: string, defines: ShaderDefines): bo
'dLightCount', 'dXrayShaded',
'dOverpaintType', 'dOverpaint',
'dSubstanceType', 'dSubstance',
'dColorMarker',
'dColorMarker', 'dCelShaded'
];
if (variant !== 'emissive') {
ignore.push('dEmissiveType', 'dEmissive');

View File

@@ -2,6 +2,7 @@
* Copyright (c) 2017-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Gianluca Tomasello <giagitom@gmail.com>
*
* adapted from three.js (https://github.com/mrdoob/three.js/)
* which under the MIT License, Copyright © 2010-2021 three.js authors
@@ -30,7 +31,16 @@ export const apply_light_color = `
vec4 color = material;
ReflectedLight reflectedLight = ReflectedLight(vec3(0.0), vec3(0.0), vec3(0.0), vec3(0.0));
#if defined(dCelShaded)
// clamp to avoid artifacts
metalness = clamp(metalness, 0.0, 0.99);
roughness = clamp(roughness, 0.05, 1.0);
#endif
GeometricContext geometry;
geometry.position = -vViewPosition;
geometry.normal = normal;
geometry.viewDir = normalize(vViewPosition);
PhysicalMaterial physicalMaterial;
physicalMaterial.diffuseColor = color.rgb * (1.0 - metalness);
@@ -44,30 +54,53 @@ export const apply_light_color = `
physicalMaterial.specularColor = mix(vec3(0.04), color.rgb, metalness);
physicalMaterial.specularF90 = 1.0;
GeometricContext geometry;
geometry.position = -vViewPosition;
geometry.normal = normal;
geometry.viewDir = normalize(vViewPosition);
IncidentLight directLight;
#pragma unroll_loop_start
for (int i = 0; i < dLightCount; ++i) {
directLight.direction = uLightDirection[i];
directLight.color = uLightColor[i] * PI; // * PI for punctual light
RE_Direct_Physical(directLight, geometry, physicalMaterial, reflectedLight);
}
#pragma unroll_loop_end
vec3 irradiance = uAmbientColor * PI; // * PI for punctual light
RE_IndirectDiffuse_Physical(irradiance, geometry, physicalMaterial, reflectedLight);
vec3 outgoingLight = vec3(0.0);
// indirect specular only metals
vec3 radiance = uAmbientColor * metalness;
vec3 iblIrradiance = uAmbientColor * metalness;
vec3 clearcoatRadiance = vec3(0.0);
RE_IndirectSpecular_Physical(radiance, iblIrradiance, clearcoatRadiance, geometry, physicalMaterial, reflectedLight);
#if defined(dCelShaded)
float celDiffuse;
float celSpecular;
float celIntensity;
vec3 outgoingLight = reflectedLight.directDiffuse + reflectedLight.indirectDiffuse + reflectedLight.directSpecular + reflectedLight.indirectSpecular;
#pragma unroll_loop_start
for (int i = 0; i < dLightCount; ++i) {
directLight.direction = uLightDirection[i];
directLight.color = uLightColor[i] * PI; // * PI for punctual light
celDiffuse = RECIPROCAL_PI * max(dot(geometry.normal, directLight.direction), 0.0) * (1.0 - metalness);
celSpecular = luminance(saturate(dot(geometry.normal, directLight.direction)) * BRDF_GGX(directLight.direction, geometry.viewDir, geometry.normal, physicalMaterial.specularColor, physicalMaterial.specularF90, roughness));
celIntensity = celDiffuse + celSpecular;
celIntensity = ceil(celIntensity * uCelSteps) / uCelSteps;
outgoingLight += color.rgb * directLight.color * celIntensity;
}
#pragma unroll_loop_end
outgoingLight += physicalMaterial.diffuseColor * luminance(uAmbientColor);
#else
ReflectedLight reflectedLight = ReflectedLight(vec3(0.0), vec3(0.0), vec3(0.0), vec3(0.0));
#pragma unroll_loop_start
for (int i = 0; i < dLightCount; ++i) {
directLight.direction = uLightDirection[i];
directLight.color = uLightColor[i] * PI; // * PI for punctual light
RE_Direct_Physical(directLight, geometry, physicalMaterial, reflectedLight);
}
#pragma unroll_loop_end
vec3 irradiance = uAmbientColor * PI; // * PI for punctual light
RE_IndirectDiffuse_Physical(irradiance, geometry, physicalMaterial, reflectedLight);
// indirect specular only metals
vec3 radiance = uAmbientColor * metalness;
vec3 iblIrradiance = uAmbientColor * metalness;
vec3 clearcoatRadiance = vec3(0.0);
RE_IndirectSpecular_Physical(radiance, iblIrradiance, clearcoatRadiance, geometry, physicalMaterial, reflectedLight);
outgoingLight = reflectedLight.directDiffuse + reflectedLight.indirectDiffuse + reflectedLight.directSpecular + reflectedLight.indirectSpecular;
#endif
outgoingLight = clamp(outgoingLight, 0.01, 0.99); // prevents black artifacts on specular highlight with transparent background
#if defined(dRenderVariant_color)

View File

@@ -76,6 +76,7 @@ uniform vec3 uInteriorColor;
bool interior;
uniform float uXrayEdgeFalloff;
uniform float uCelSteps;
uniform float uExposure;
uniform mat4 uProjection;

View File

@@ -103,6 +103,12 @@ vec4 linearTosRGB(const in vec4 c) {
return vec4(mix(pow(c.rgb, vec3(0.41666)) * 1.055 - vec3(0.055), c.rgb * 12.92, vec3(lessThanEqual(c.rgb, vec3(0.0031308)))), c.a);
}
float luminance(vec3 c) {
// https://www.w3.org/TR/WCAG21/#dfn-relative-luminance
const vec3 W = vec3(0.2125, 0.7154, 0.0721);
return dot(c, W);
}
float linearizeDepth(const in float depth, const in float near, const in float far) {
return (2.0 * near) / (far + near - depth * (far - near));
}

View File

@@ -2,6 +2,7 @@
* Copyright (c) 2020-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Gianluca Tomasello <giagitom@gmail.com>
*/
export const cylinders_frag = `
@@ -120,7 +121,11 @@ bool CylinderImpostor(
#ifdef dSolidInterior
if (interior) cameraNormal = -rayDir;
#endif
return true;
#if defined(dClipVariant_pixel) && dClipObjectCount != 0
return true;
#else
return !interior;
#endif
}
}
} else if (bottomCap && y >= 0.0) {
@@ -146,7 +151,11 @@ bool CylinderImpostor(
#ifdef dSolidInterior
if (interior) cameraNormal = -rayDir;
#endif
return true;
#if defined(dClipVariant_pixel) && dClipObjectCount != 0
return true;
#else
return !interior;
#endif
}
}
}

View File

@@ -77,6 +77,7 @@ uniform vec3 uFogColor;
uniform float uAlpha;
uniform bool uTransparentBackground;
uniform float uXrayEdgeFalloff;
uniform float uCelSteps;
uniform float uExposure;
uniform int uRenderMask;

View File

@@ -16,6 +16,7 @@ uniform vec2 uTexSize;
uniform vec4 uBounds;
uniform float uKernel[dOcclusionKernelSize];
uniform float uBlurDepthBias;
uniform float uBlurDirectionX;
uniform float uBlurDirectionY;
@@ -38,6 +39,10 @@ bool isBackground(const in float depth) {
return depth == 1.0;
}
bool isNearClip(const in float depth) {
return depth == 0.0;
}
bool outsideBounds(const in vec2 p) {
return p.x < uBounds.x || p.y < uBounds.y || p.x > uBounds.z || p.y > uBounds.w;
}
@@ -59,16 +64,14 @@ void main(void) {
}
float selfDepth = unpackRGToUnitInterval(packedDepth);
// if background and if second pass
if (isBackground(selfDepth) && uBlurDirectionY != 0.0) {
// (if background and if second pass) or if near clip
if ((isBackground(selfDepth) && uBlurDirectionY != 0.0) || isNearClip(selfDepth)) {
gl_FragColor = vec4(packUnitIntervalToRG(1.0), packedDepth);
return;
}
float selfViewZ = getViewZ(selfDepth);
float pixelSize = getPixelSize(coords, selfDepth);
// max diff depth between two pixels
float maxDiffViewZ = 1.0;
vec2 offset = vec2(uBlurDirectionX, uBlurDirectionY) / uTexSize;
@@ -86,12 +89,12 @@ void main(void) {
vec4 sampleSsaoDepth = texture2D(tSsaoDepth, sampleCoords);
float sampleDepth = unpackRGToUnitInterval(sampleSsaoDepth.zw);
if (isBackground(sampleDepth)) {
if (isBackground(sampleDepth) || isNearClip(sampleDepth)) {
continue;
}
float sampleViewZ = getViewZ(sampleDepth);
if (abs(selfViewZ - sampleViewZ) > maxDiffViewZ) {
if (abs(selfViewZ - sampleViewZ) >= uBlurDepthBias) {
continue;
}

View File

@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.391, IHM 1.25, MA 1.4.6.
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
*
* @author molstar/ciftools package
*/

View File

@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.391, IHM 1.25, MA 1.4.6.
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
*
* @author molstar/ciftools package
*/

View File

@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.391, IHM 1.25, MA 1.4.6.
* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
*
* @author molstar/ciftools package
*/
@@ -793,6 +793,14 @@ export const mmCIF_Schema = {
* the entry.
*/
pdbx_number_of_molecules: int,
/**
* An identifier for the parent entity if this entity
* is part of a complex entity. For instance a chimeric
* entity may be decomposed into several independent
* chemical entities where each component entity was
* obtained from a different source.
*/
pdbx_parent_entity_id: str,
/**
* Details about any entity mutation(s).
*/

File diff suppressed because one or more lines are too long

View File

@@ -139,7 +139,7 @@ function atomGroupsSegmented({ unitTest, entityTest, chainTest, residueTest, ato
}
}
} else {
const { chainElementSegments } = Unit.Kind.Spheres ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
const { chainElementSegments } = unit.kind === Unit.Kind.Spheres ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
const chainsIt = Segmentation.transientSegments(chainElementSegments, elements);
while (chainsIt.hasNext) {
@@ -213,7 +213,7 @@ function atomGroupsGrouped({ unitTest, entityTest, chainTest, residueTest, atomT
}
}
} else {
const { chainElementSegments } = Unit.Kind.Spheres ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
const { chainElementSegments } = unit.kind === Unit.Kind.Spheres ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
const chainsIt = Segmentation.transientSegments(chainElementSegments, elements);
while (chainsIt.hasNext) {
const chainSegment = chainsIt.move();

View File

@@ -161,7 +161,7 @@ const entity = {
pdbx_mutation: p(l => l.unit.model.entities.data.pdbx_mutation.value(eK(l))),
pdbx_fragment: p(l => l.unit.model.entities.data.pdbx_fragment.value(eK(l))),
pdbx_ec: p(l => l.unit.model.entities.data.pdbx_ec.value(eK(l))),
pdbx_parent_entity_id: p(l => l.unit.model.entities.data.pdbx_parent_entity_id.value(eK(l))),
subtype: p(l => l.unit.model.entities.subtype.value(eK(l))),
prd_id: p(l => l.unit.model.entities.prd_id?.value(eK(l)) ?? ''),
};
@@ -197,4 +197,4 @@ const StructureProperties = {
};
type StructureProperties = typeof StructureProperties
export { StructureProperties };
export { StructureProperties };

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -31,7 +31,7 @@ const DownloadDensity = StateAction.build({
'pdb-xray': PD.Group({
provider: PD.Group({
id: PD.Text('1tqn', { label: 'Id' }),
server: PD.Select('rcsb', [['pdbe', 'PDBe'], ['rcsb', 'RCSB PDB']]),
server: PD.Select('pdbe', [['pdbe', 'PDBe']]),
}, { pivot: 'id' }),
type: PD.Select('2fofc', [['2fofc', '2Fo-Fc'], ['fofc', 'Fo-Fc']]),
}, { isFlat: true }),
@@ -74,18 +74,12 @@ const DownloadDensity = StateAction.build({
downloadParams = src.params;
break;
case 'pdb-xray':
downloadParams = src.params.provider.server === 'pdbe' ? {
downloadParams = {
url: Asset.Url(src.params.type === '2fofc'
? `https://www.ebi.ac.uk/pdbe/coordinates/files/${src.params.provider.id.toLowerCase()}.ccp4`
: `https://www.ebi.ac.uk/pdbe/coordinates/files/${src.params.provider.id.toLowerCase()}_diff.ccp4`),
isBinary: true,
label: `PDBe X-ray map: ${src.params.provider.id}`
} : {
url: Asset.Url(src.params.type === '2fofc'
? `https://edmaps.rcsb.org/maps/${src.params.provider.id.toLowerCase()}_2fofc.dsn6`
: `https://edmaps.rcsb.org/maps/${src.params.provider.id.toLowerCase()}_fofc.dsn6`),
isBinary: true,
label: `RCSB X-ray map: ${src.params.provider.id}`
};
break;
case 'pdb-emd-ds':
@@ -123,9 +117,7 @@ const DownloadDensity = StateAction.build({
break;
case 'pdb-xray':
entryId = src.params.provider.id;
provider = src.params.provider.server === 'pdbe'
? plugin.dataFormats.get('ccp4')
: plugin.dataFormats.get('dsn6');
provider = plugin.dataFormats.get('ccp4');
break;
case 'pdb-emd-ds':
case 'pdb-xray-ds':

View File

@@ -1,8 +1,9 @@
/**
* Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Neli Fonseca <neli@ebi.ac.uk>
*/
import * as CCP4 from '../../mol-io/reader/ccp4/parser';
@@ -23,9 +24,12 @@ import { ColorNames } from '../../mol-util/color/names';
import { assertUnreachable } from '../../mol-util/type-helpers';
import { parsePrmtop } from '../../mol-io/reader/prmtop/parser';
import { parseTop } from '../../mol-io/reader/top/parser';
import { ungzip } from '../../mol-util/zip/zip';
import { utf8Read } from '../../mol-io/common/utf8';
export { Download };
export { DownloadBlob };
export { DeflateData };
export { RawData };
export { ReadFile };
export { ParseBlob };
@@ -134,6 +138,33 @@ const DownloadBlob = PluginStateTransform.BuiltIn({
// }
});
type DeflateData = typeof DeflateData
const DeflateData = PluginStateTransform.BuiltIn({
name: 'defalate-data',
display: { name: 'Deflate', description: 'Deflate compressed data' },
params: {
method: PD.Select('gzip', [['gzip', 'gzip']]), // later on we might have to add say brotli
isString: PD.Boolean(false),
stringEncoding: PD.Optional(PD.Select('utf-8', [['utf-8', 'UTF8']])),
label: PD.Optional(PD.Text(''))
},
from: [SO.Data.Binary],
to: [SO.Data.Binary, SO.Data.String]
})({
apply({ a, params }, plugin: PluginContext) {
return Task.create('Gzip', async ctx => {
const decompressedData = await ungzip(ctx, a.data);
const label = params.label ? params.label : a.label;
// handle decoding based on stringEncoding param
if (params.isString) {
const textData = utf8Read(decompressedData, 0, decompressedData.length);
return new SO.Data.String(textData, { label });
}
return new SO.Data.Binary(decompressedData as Uint8Array, { label });
});
}
});
type RawData = typeof RawData
const RawData = PluginStateTransform.BuiltIn({
name: 'raw-data',

View File

@@ -95,13 +95,13 @@ export abstract class CollapsableControls<P = {}, S = {}, SS = {}> extends Plugi
render() {
if (this.state.isHidden) return null;
const divid = this.state.header.toLowerCase().replace(/\s/g, '');
const wrapClass = this.state.isCollapsed
? 'msp-transform-wrapper msp-transform-wrapper-collapsed'
: 'msp-transform-wrapper';
return <div className={wrapClass}>
<div className='msp-transform-header'>
<div id={divid} className='msp-transform-header'>
<Button icon={this.state.brand ? void 0 : this.state.isCollapsed ? ArrowRightSvg : ArrowDropDownSvg} noOverflow onClick={this.toggleCollapsed}
className={this.state.brand ? `msp-transform-header-brand msp-transform-header-brand-${this.state.brand.accent}` : void 0} title={`Click to ${this.state.isCollapsed ? 'expand' : 'collapse'}`}>
{/* {this.state.brand && <div className={`msp-accent-bg-${this.state.brand.accent}`}>{this.state.brand.svg ? <Icon svg={this.state.brand.svg} /> : this.state.brand.name}</div>} */}
@@ -122,4 +122,4 @@ export abstract class CollapsableControls<P = {}, S = {}, SS = {}> extends Plugi
if (props.header !== undefined) state.header = props.header;
this.state = state;
}
}
}

View File

@@ -207,7 +207,7 @@ export function ViewportSnapshotDescription() {
const e = plugin.managers.snapshot.getEntry(current)!;
if (!e?.description?.trim()) return null;
return <div className='msp-snapshot-description-wrapper'>
return <div id='snapinfo' className='msp-snapshot-description-wrapper'>
<Markdown skipHtml components={{ a: MarkdownAnchor }}>{e.description}</Markdown>
</div>;
}

View File

@@ -169,9 +169,19 @@ const _SubscriptionsOutlined = <svg width='24px' height='24px' viewBox='0 0 24 2
export function SubscriptionsOutlinedSvg() { return _SubscriptionsOutlined; }
const _SwapHoriz = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M6.99 11L3 15l3.99 4v-3H14v-2H6.99v-3zM21 9l-3.99-4v3H10v2h7.01v3L21 9z' /></svg>;
export function SwapHorizSvg() { return _SwapHoriz; }
const _Tour = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M21 4H7V2H5v20h2v-8h14l-2-5zm-6 5c0 1.1-.9 2-2 2s-2-.9-2-2 .9-2 2-2 2 .9 2 2' /></svg>;
export function TourSvg() { return _Tour; }
const _Tune = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M3 17v2h6v-2H3zM3 5v2h10V5H3zm10 16v-2h8v-2h-8v-2h-2v6h2zM7 9v2H3v2h4v2h2V9H7zm14 4v-2H11v2h10zm-6-4h2V7h4V5h-4V3h-2v6z' /></svg>;
export function TuneSvg() { return _Tune; }
const _VisibilityOffOutlined = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M12 6c3.79 0 7.17 2.13 8.82 5.5-.59 1.22-1.42 2.27-2.41 3.12l1.41 1.41c1.39-1.23 2.49-2.77 3.18-4.53C21.27 7.11 17 4 12 4c-1.27 0-2.49.2-3.64.57l1.65 1.65C10.66 6.09 11.32 6 12 6zm-1.07 1.14L13 9.21c.57.25 1.03.71 1.28 1.28l2.07 2.07c.08-.34.14-.7.14-1.07C16.5 9.01 14.48 7 12 7c-.37 0-.72.05-1.07.14zM2.01 3.87l2.68 2.68C3.06 7.83 1.77 9.53 1 11.5 2.73 15.89 7 19 12 19c1.52 0 2.98-.29 4.32-.82l3.42 3.42 1.41-1.41L3.42 2.45 2.01 3.87zm7.5 7.5l2.61 2.61c-.04.01-.08.02-.12.02-1.38 0-2.5-1.12-2.5-2.5 0-.05.01-.08.01-.13zm-3.4-3.4l1.75 1.75c-.23.55-.36 1.15-.36 1.78 0 2.48 2.02 4.5 4.5 4.5.63 0 1.23-.13 1.77-.36l.98.98c-.88.24-1.8.38-2.75.38-3.79 0-7.17-2.13-8.82-5.5.7-1.43 1.72-2.61 2.93-3.53z' /></svg>;
const _TooltipText = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M20 2H4c-1.1 0-1.99.9-1.99 2L2 22l4-4h14c1.1 0 2-.9 2-2V4c0-1.1-.9-2-2-2M6 9h12v2H6zm8 5H6v-2h8zm4-6H6V6h12z' /></svg>;
export function TooltipTextSvg() { return _TooltipText; }
const _TooltipTextOutline = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M4 4h16v12H5.17L4 17.17zm0-2c-1.1 0-1.99.9-1.99 2L2 22l4-4h14c1.1 0 2-.9 2-2V4c0-1.1-.9-2-2-2zm2 10h8v2H6zm0-3h12v2H6zm0-3h12v2H6z' /></svg>;
export function TooltipTextOutlineSvg() { return _TooltipTextOutline; }
const _PlusBox = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M19 3H5c-1.11 0-2 .9-2 2v14c0 1.1.89 2 2 2h14c1.1 0 2-.9 2-2V5c0-1.1-.9-2-2-2m-2 10h-4v4h-2v-4H7v-2h4V7h2v4h4z' /></svg>;
export function PlusBoxSvg() { return _PlusBox; }
const _MinusBox = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M19 3H5c-1.1 0-2 .9-2 2v14c0 1.1.9 2 2 2h14c1.1 0 2-.9 2-2V5c0-1.1-.9-2-2-2m-2 10H7v-2h10z' /></svg>;
export function MinusBoxSvg() { return _MinusBox; }
export function VisibilityOffOutlinedSvg() { return _VisibilityOffOutlined; }
const _VisibilityOutlined = <svg width='24px' height='24px' viewBox='0 0 24 24'><path d='M12 6c3.79 0 7.17 2.13 8.82 5.5C19.17 14.87 15.79 17 12 17s-7.17-2.13-8.82-5.5C4.83 8.13 8.21 6 12 6m0-2C7 4 2.73 7.11 1 11.5 2.73 15.89 7 19 12 19s9.27-3.11 11-7.5C21.27 7.11 17 4 12 4zm0 5c1.38 0 2.5 1.12 2.5 2.5S13.38 14 12 14s-2.5-1.12-2.5-2.5S10.62 9 12 9m0-2c-2.48 0-4.5 2.02-4.5 4.5S9.52 16 12 16s4.5-2.02 4.5-4.5S14.48 7 12 7z' /></svg>;
export function VisibilityOutlinedSvg() { return _VisibilityOutlined; }

View File

@@ -83,7 +83,7 @@ class Layout extends PluginUIComponent {
this.subscribe(this.plugin.layout.events.updated, () => this.forceUpdate());
}
region(kind: RegionKind, Element?: React.ComponentClass) {
region(kind: RegionKind, Element?: React.ComponentClass | React.FC) {
return <div className={`msp-layout-region msp-layout-${kind}`}>
<div className='msp-layout-static'>
{Element ? <Element /> : null}
@@ -268,6 +268,7 @@ export class ControlsWrapper extends PluginUIComponent {
export class DefaultViewport extends PluginUIComponent {
render() {
const VPControls = this.plugin.spec.components?.viewport?.controls || ViewportControls;
const SnapshotDescription = this.plugin.spec.components?.viewport?.snapshotDescription || ViewportSnapshotDescription;
return <>
<Viewport />
@@ -275,7 +276,7 @@ export class DefaultViewport extends PluginUIComponent {
<AnimationViewportControls />
<TrajectoryViewportControls />
<StateSnapshotViewportControls />
<ViewportSnapshotDescription />
<SnapshotDescription />
</div>
<SelectionViewportControls />
<VPControls />

View File

@@ -345,6 +345,12 @@
text-align: left;
color: color-lower-contrast($font-color, 15%);
}
> p {
padding: (math.div($control-spacing, 2)) $control-spacing;
text-align: left;
color: color-lower-contrast($font-color, 15%);
}
}
.msp-help-description {

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -19,13 +19,14 @@ interface PluginUISpec extends PluginSpec {
components?: {
controls?: PluginUISpec.LayoutControls
remoteState?: 'none' | 'default',
structureTools?: React.ComponentClass,
structureTools?: React.ComponentClass | React.FC,
viewport?: {
view?: React.ComponentClass,
controls?: React.ComponentClass
view?: React.ComponentClass | React.FC,
controls?: React.ComponentClass | React.FC,
snapshotDescription?: React.ComponentClass | React.FC,
},
sequenceViewer?: {
view?: React.ComponentClass
view?: React.ComponentClass | React.FC
}
hideTaskOverlay?: boolean,
disableDragOverlay?: boolean,
@@ -34,10 +35,10 @@ interface PluginUISpec extends PluginSpec {
namespace PluginUISpec {
export interface LayoutControls {
top?: React.ComponentClass | 'none',
left?: React.ComponentClass | 'none',
right?: React.ComponentClass | 'none',
bottom?: React.ComponentClass | 'none'
top?: React.ComponentClass | React.FC | 'none',
left?: React.ComponentClass | React.FC | 'none',
right?: React.ComponentClass | React.FC | 'none',
bottom?: React.ComponentClass | React.FC | 'none'
}
}

View File

@@ -1,7 +1,8 @@
/**
* Copyright (c) 2022-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { PresetStructureRepresentations } from '../../mol-plugin-state/builder/structure/representation-preset';
@@ -70,6 +71,7 @@ export class QuickStyles extends PurePluginUIComponent {
radius: 5,
bias: 0.8,
blurKernelSize: 15,
blurDepthBias: 0.5,
samples: 32,
resolutionScale: 1,
color: Color(0x000000),
@@ -108,6 +110,7 @@ export class QuickStyles extends PurePluginUIComponent {
radius: 5,
bias: 0.8,
blurKernelSize: 15,
blurDepthBias: 0.5,
samples: 32,
resolutionScale: 1,
color: Color(0x000000),
@@ -121,15 +124,15 @@ export class QuickStyles extends PurePluginUIComponent {
render() {
return <div className='msp-flex-row'>
<Button noOverflow title='Applies default representation preset. Set outline and occlusion effects to defaults.' onClick={() => this.default()} style={{ width: 'auto' }}>
<Button noOverflow title='Applies default representation preset and sets outline and occlusion effects to default' onClick={() => this.default()} style={{ width: 'auto' }}>
Default
</Button>
<Button noOverflow title='Applies no representation preset. Enables outline and occlusion effects. Enables ignore-light representation parameter.' onClick={() => this.stylized()} style={{ width: 'auto' }}>
Stylized
</Button>
<Button noOverflow title='Applies illustrative representation preset. Enables outline and occlusion effects. Enables ignore-light parameter.' onClick={() => this.illustrative()} style={{ width: 'auto' }}>
<Button noOverflow title='Applies illustrative representation preset and Stylize it' onClick={() => this.illustrative()} style={{ width: 'auto' }}>
Illustrative
</Button>
<Button noOverflow title='Does not change representation, enables outline and occlusion effects, enables ignore-light representation parameter' onClick={() => this.stylized()} style={{ width: 'auto' }}>
Stylize Current
</Button>
</div>;
}
}

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -374,7 +374,7 @@ export class PluginContext {
return PluginCommands.State.RemoveObject(this, { state: this.state.data, ref: StateTransform.RootRef });
}
dispose(options?: { doNotForceWebGLContextLoss?: boolean }) {
dispose(options?: { doNotForceWebGLContextLoss?: boolean, doNotDisposeCanvas3DContext?: boolean }) {
if (this.disposed) return;
for (const s of this.subs) {
@@ -385,7 +385,9 @@ export class PluginContext {
this.animationLoop.stop();
this.commands.dispose();
this.canvas3d?.dispose();
this.canvas3dContext?.dispose(options);
if (!options?.doNotDisposeCanvas3DContext) {
this.canvas3dContext?.dispose(options);
}
this.ev.dispose();
this.state.dispose();
this.helpers.substructureParent.dispose();

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Jesse Liang <jesse.liang@rcsb.org>
@@ -209,6 +209,7 @@ export function defaultImagePassParams(): Partial<ImageProps> {
...DefaultCanvas3DParams.multiSample,
mode: 'on',
sampleLevel: 4,
reuseOcclusion: false,
}
};
}
@@ -221,6 +222,7 @@ export const STYLIZED_POSTPROCESSING: Partial<PostprocessingProps> = {
radius: 5,
bias: 0.8,
blurKernelSize: 15,
blurDepthBias: 0.5,
resolutionScale: 1,
color: ColorNames.black,
}

View File

@@ -1,5 +1,5 @@
/**
* Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -116,6 +116,7 @@ class ViewportScreenshotHelper extends PluginComponent {
...c.props.multiSample,
mode: multisample ? 'on' : 'off',
sampleLevel: colorBufferFloat && textureFloat ? 4 : 2,
reuseOcclusion: false,
},
postprocessing: {
...c.props.postprocessing,