pdbe-molstar 3.2.1-beta.1 → 3.2.1-beta.3

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Files changed (73) hide show
  1. package/README.md +1 -1
  2. package/build/pdbe-molstar-component.js +2 -2
  3. package/build/pdbe-molstar-light.css +2 -2
  4. package/build/pdbe-molstar-plugin.js +2 -2
  5. package/build/pdbe-molstar-plugin.js.LICENSE.txt +1 -1
  6. package/build/pdbe-molstar.css +2 -2
  7. package/lib/alphafold-transparency.d.ts +3 -3
  8. package/lib/alphafold-transparency.js +10 -11
  9. package/lib/custom-events.d.ts +1 -1
  10. package/lib/custom-events.js +1 -1
  11. package/lib/domain-annotations/behavior.d.ts +1 -1
  12. package/lib/domain-annotations/behavior.js +3 -3
  13. package/lib/domain-annotations/color.d.ts +3 -3
  14. package/lib/domain-annotations/color.js +4 -4
  15. package/lib/domain-annotations/prop.d.ts +6 -6
  16. package/lib/domain-annotations/prop.js +7 -7
  17. package/lib/extensions/foldseek.d.ts +1 -1
  18. package/lib/extensions/foldseek.js +2 -2
  19. package/lib/helpers.d.ts +20 -13
  20. package/lib/helpers.js +49 -11
  21. package/lib/index(light).d.ts +4 -179
  22. package/lib/index(light).js +6 -1234
  23. package/lib/index.d.ts +4 -179
  24. package/lib/index.js +6 -1234
  25. package/lib/labels.d.ts +1 -1
  26. package/lib/labels.js +3 -3
  27. package/lib/loci-details.d.ts +2 -2
  28. package/lib/loci-details.js +3 -3
  29. package/lib/plugin-custom-state.d.ts +6 -9
  30. package/lib/sifts-mapping.d.ts +3 -3
  31. package/lib/sifts-mapping.js +4 -4
  32. package/lib/sifts-mappings-behaviour.d.ts +1 -1
  33. package/lib/sifts-mappings-behaviour.js +10 -10
  34. package/lib/spec.d.ts +36 -11
  35. package/lib/spec.js +38 -7
  36. package/lib/{overlay.scss → styles/index.scss} +11 -0
  37. package/lib/superposition-export.d.ts +1 -1
  38. package/lib/superposition-export.js +7 -7
  39. package/lib/superposition-focus-representation.d.ts +3 -3
  40. package/lib/superposition-focus-representation.js +8 -8
  41. package/lib/superposition-sifts-mapping.d.ts +5 -5
  42. package/lib/superposition-sifts-mapping.js +3 -3
  43. package/lib/superposition.d.ts +7 -4
  44. package/lib/superposition.js +147 -184
  45. package/lib/ui/alphafold-superposition.d.ts +4 -4
  46. package/lib/ui/alphafold-superposition.js +8 -8
  47. package/lib/ui/alphafold-tranparency.d.ts +2 -2
  48. package/lib/ui/alphafold-tranparency.js +4 -4
  49. package/lib/ui/annotation-controls.d.ts +1 -1
  50. package/lib/ui/annotation-controls.js +7 -7
  51. package/lib/ui/annotation-row-controls.d.ts +2 -2
  52. package/lib/ui/annotation-row-controls.js +3 -3
  53. package/lib/ui/export-superposition.d.ts +1 -1
  54. package/lib/ui/export-superposition.js +9 -9
  55. package/lib/ui/pdbe-left-panel.d.ts +8 -8
  56. package/lib/ui/pdbe-left-panel.js +26 -47
  57. package/lib/ui/pdbe-screenshot-controls.d.ts +2 -2
  58. package/lib/ui/pdbe-screenshot-controls.js +7 -7
  59. package/lib/ui/pdbe-structure-controls.d.ts +1 -1
  60. package/lib/ui/pdbe-structure-controls.js +8 -8
  61. package/lib/ui/pdbe-viewport-controls.d.ts +1 -1
  62. package/lib/ui/pdbe-viewport-controls.js +4 -2
  63. package/lib/ui/segment-tree.d.ts +4 -4
  64. package/lib/ui/segment-tree.js +12 -32
  65. package/lib/ui/superposition-components.d.ts +1 -1
  66. package/lib/ui/superposition-components.js +8 -8
  67. package/lib/ui/superposition-viewport.d.ts +1 -1
  68. package/lib/ui/superposition-viewport.js +5 -5
  69. package/lib/ui/symmetry-annotation-controls.d.ts +6 -6
  70. package/lib/ui/symmetry-annotation-controls.js +6 -6
  71. package/lib/viewer.d.ts +178 -0
  72. package/lib/viewer.js +1286 -0
  73. package/package.json +4 -4
@@ -1,6 +1,6 @@
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  /**
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  * pdbe-molstar
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- * @version 3.2.1-beta.1
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+ * @version 3.2.1-beta.3
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  * @link https://github.com/PDBeurope/pdbe-molstar
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  * @license Apache 2.0
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  */
@@ -1,9 +1,9 @@
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  /**
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  * pdbe-molstar
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- * @version 3.2.1-beta.1
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+ * @version 3.2.1-beta.3
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  * @link https://github.com/PDBeurope/pdbe-molstar
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  * @license Apache 2.0
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  */
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)}.msp-plugin .msp-plugin-content{color:#ccd4e0}.msp-plugin .msp-plugin-init-error{white-space:pre;margin:10px}
9
- .pdbemolstar-overlay{z-index:1000;position:fixed;top:0px;bottom:0px;left:0px;right:0px;display:flex;justify-content:center;align-items:center;pointer-events:none}.pdbemolstar-overlay-box{width:25%;height:25%}svg.pdbe-animated-logo{background-color:rgba(0,0,0,0);width:100%;height:100%;opacity:80%}svg.pdbe-animated-logo .path-fg{stroke-dasharray:1812 250;stroke-dashoffset:-250;animation:dash linear normal infinite;animation-duration:5s;animation-delay:1s}@keyframes dash{0%{stroke-dashoffset:1812}80%{stroke-dashoffset:-250}100%{stroke-dashoffset:-250}}.msp-plugin ::-webkit-scrollbar-thumb{background-color:rgba(128,128,128,.5019607843);border-radius:10px;border:solid 1px rgba(0,0,0,0);background-clip:content-box}
9
+ .pdbemolstar-overlay{z-index:1000;position:fixed;top:0px;bottom:0px;left:0px;right:0px;display:flex;justify-content:center;align-items:center;pointer-events:none}.pdbemolstar-overlay-box{width:25%;height:25%}svg.pdbe-animated-logo{background-color:rgba(0,0,0,0);width:100%;height:100%;opacity:80%}svg.pdbe-animated-logo .path-fg{stroke-dasharray:1812 250;stroke-dashoffset:-250;animation:dash linear normal infinite;animation-duration:5s;animation-delay:1s}@keyframes dash{0%{stroke-dashoffset:1812}80%{stroke-dashoffset:-250}100%{stroke-dashoffset:-250}}.msp-plugin ::-webkit-scrollbar-thumb{background-color:rgba(128,128,128,.5019607843);border-radius:10px;border:solid 1px rgba(0,0,0,0);background-clip:content-box}.msp-plugin .msp-layout-static{container-type:size}.msp-plugin .msp-viewport-controls-panel .msp-viewport-controls-panel-controls{max-height:calc(100cqh - 41px - 24px - 10px)}
@@ -1,6 +1,6 @@
1
- import { StructureElement } from 'Molstar/mol-model/structure';
2
- import { PluginContext } from 'Molstar/mol-plugin/context';
3
- import { StructureComponentRef, StructureRef } from 'Molstar/mol-plugin-state/manager/structure/hierarchy-state';
1
+ import { StructureElement } from 'molstar/lib/mol-model/structure';
2
+ import { StructureComponentRef, StructureRef } from 'molstar/lib/mol-plugin-state/manager/structure/hierarchy-state';
3
+ import { PluginContext } from 'molstar/lib/mol-plugin/context';
4
4
  export declare function applyAFTransparency(plugin: PluginContext, structure: Readonly<StructureRef>, transparency: number, pLDDT?: number): Promise<void>;
5
5
  export declare function setStructureTransparency(plugin: PluginContext, components: StructureComponentRef[], value: number, loci: StructureElement.Loci, types?: string[]): Promise<void>;
6
6
  export declare function clearStructureTransparency(plugin: PluginContext, components: StructureComponentRef[], types?: string[]): Promise<void>;
@@ -2,15 +2,14 @@
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.clearStructureTransparency = exports.setStructureTransparency = exports.applyAFTransparency = void 0;
4
4
  var tslib_1 = require("tslib");
5
- var structure_1 = require("Molstar/mol-model/structure");
6
- var transforms_1 = require("Molstar/mol-plugin-state/transforms");
7
- var mol_state_1 = require("Molstar/mol-state");
8
- var loci_1 = require("Molstar/mol-model/loci");
9
- var transparency_1 = require("Molstar/mol-theme/transparency");
10
- var builder_1 = require("Molstar/mol-script/language/builder");
11
- var prop_1 = require("Molstar/extensions/model-archive/quality-assessment/prop");
12
- var compiler_1 = require("Molstar/mol-script/runtime/query/compiler");
13
- var structure_2 = require("Molstar/mol-model/structure");
5
+ var prop_1 = require("molstar/lib/extensions/model-archive/quality-assessment/prop");
6
+ var loci_1 = require("molstar/lib/mol-model/loci");
7
+ var structure_1 = require("molstar/lib/mol-model/structure");
8
+ var transforms_1 = require("molstar/lib/mol-plugin-state/transforms");
9
+ var builder_1 = require("molstar/lib/mol-script/language/builder");
10
+ var compiler_1 = require("molstar/lib/mol-script/runtime/query/compiler");
11
+ var mol_state_1 = require("molstar/lib/mol-state");
12
+ var transparency_1 = require("molstar/lib/mol-theme/transparency");
14
13
  var TransparencyManagerTag = 'transparency-controls';
15
14
  function getLociByPLDDT(score, contextData) {
16
15
  var queryExp = builder_1.MolScriptBuilder.struct.modifier.union([
@@ -24,8 +23,8 @@ function getLociByPLDDT(score, contextData) {
24
23
  ])
25
24
  ]);
26
25
  var query = (0, compiler_1.compile)(queryExp);
27
- var sel = query(new structure_2.QueryContext(contextData));
28
- return structure_2.StructureSelection.toLociWithSourceUnits(sel);
26
+ var sel = query(new structure_1.QueryContext(contextData));
27
+ return structure_1.StructureSelection.toLociWithSourceUnits(sel);
29
28
  }
30
29
  function applyAFTransparency(plugin, structure, transparency, pLDDT) {
31
30
  if (pLDDT === void 0) { pLDDT = 70; }
@@ -1,4 +1,4 @@
1
- import { PluginContext } from 'Molstar/mol-plugin/context';
1
+ import { PluginContext } from 'molstar/lib/mol-plugin/context';
2
2
  export declare namespace CustomEvents {
3
3
  function add(plugin: PluginContext, targetElement: HTMLElement): void;
4
4
  }
@@ -1,8 +1,8 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.CustomEvents = void 0;
4
- var loci_details_1 = require("./loci-details");
5
4
  var operators_1 = require("rxjs/operators");
5
+ var loci_details_1 = require("./loci-details");
6
6
  var CustomEvents;
7
7
  (function (CustomEvents) {
8
8
  function create(eventTypeArr) {
@@ -1,4 +1,4 @@
1
- import { PluginBehavior } from 'Molstar/mol-plugin/behavior';
1
+ import { PluginBehavior } from 'molstar/lib/mol-plugin/behavior';
2
2
  export declare const PDBeDomainAnnotations: import("molstar/lib/mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {
3
3
  autoAttach: boolean;
4
4
  showTooltip: boolean;
@@ -2,10 +2,10 @@
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.PDBeDomainAnnotations = void 0;
4
4
  var tslib_1 = require("tslib");
5
- var prop_1 = require("./prop");
5
+ var behavior_1 = require("molstar/lib/mol-plugin/behavior");
6
+ var param_definition_1 = require("molstar/lib/mol-util/param-definition");
6
7
  var color_1 = require("./color");
7
- var param_definition_1 = require("Molstar/mol-util/param-definition");
8
- var behavior_1 = require("Molstar/mol-plugin/behavior");
8
+ var prop_1 = require("./prop");
9
9
  exports.PDBeDomainAnnotations = behavior_1.PluginBehavior.create({
10
10
  name: 'pdbe-domain-annotations-prop',
11
11
  category: 'custom-props',
@@ -1,6 +1,6 @@
1
- import { ColorTheme } from 'Molstar/mol-theme/color';
2
- import { ThemeDataContext } from 'Molstar/mol-theme/theme';
3
- import { ParamDefinition as PD } from 'Molstar/mol-util/param-definition';
1
+ import { ColorTheme } from 'molstar/lib/mol-theme/color';
2
+ import { ThemeDataContext } from 'molstar/lib/mol-theme/theme';
3
+ import { ParamDefinition as PD } from 'molstar/lib/mol-util/param-definition';
4
4
  export declare const DomainAnnotationsColorThemeParams: {
5
5
  type: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "">>;
6
6
  };
@@ -1,11 +1,11 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.DomainAnnotationsColorThemeProvider = exports.DomainAnnotationsColorTheme = exports.DomainAnnotationsColorThemeParams = void 0;
4
+ var structure_1 = require("molstar/lib/mol-model/structure");
5
+ var color_1 = require("molstar/lib/mol-theme/color");
6
+ var color_2 = require("molstar/lib/mol-util/color");
7
+ var param_definition_1 = require("molstar/lib/mol-util/param-definition");
4
8
  var prop_1 = require("./prop");
5
- var structure_1 = require("Molstar/mol-model/structure");
6
- var color_1 = require("Molstar/mol-theme/color");
7
- var color_2 = require("Molstar/mol-util/color");
8
- var param_definition_1 = require("Molstar/mol-util/param-definition");
9
9
  var DomainColors = [
10
10
  color_2.Color.fromRgb(170, 170, 170),
11
11
  color_2.Color.fromRgb(255, 112, 3)
@@ -1,9 +1,9 @@
1
- import { Model, IndexedCustomProperty } from 'Molstar/mol-model/structure';
2
- import { StructureElement, Structure } from 'Molstar/mol-model/structure/structure';
3
- import { PropertyWrapper } from 'Molstar/mol-model-props/common/wrapper';
4
- import { CustomModelProperty } from 'Molstar/mol-model-props/common/custom-model-property';
5
- import { ParamDefinition as PD } from 'Molstar/mol-util/param-definition';
6
- import { CustomProperty } from 'Molstar/mol-model-props/common/custom-property';
1
+ import { CustomModelProperty } from 'molstar/lib/mol-model-props/common/custom-model-property';
2
+ import { CustomProperty } from 'molstar/lib/mol-model-props/common/custom-property';
3
+ import { PropertyWrapper } from 'molstar/lib/mol-model-props/common/wrapper';
4
+ import { IndexedCustomProperty, Model } from 'molstar/lib/mol-model/structure';
5
+ import { Structure, StructureElement } from 'molstar/lib/mol-model/structure/structure';
6
+ import { ParamDefinition as PD } from 'molstar/lib/mol-util/param-definition';
7
7
  export { DomainAnnotations };
8
8
  type DomainAnnotations = PropertyWrapper<{
9
9
  domains: IndexedCustomProperty.Residue<string[]>;
@@ -2,13 +2,13 @@
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.DomainAnnotationsProvider = exports.DomainAnnotationsParams = exports.DomainAnnotations = void 0;
4
4
  var tslib_1 = require("tslib");
5
- var structure_1 = require("Molstar/mol-model/structure");
6
- var wrapper_1 = require("Molstar/mol-model-props/common/wrapper");
7
- var custom_model_property_1 = require("Molstar/mol-model-props/common/custom-model-property");
8
- var param_definition_1 = require("Molstar/mol-util/param-definition");
9
- var array_1 = require("Molstar/mol-util/array");
10
- var assets_1 = require("Molstar/mol-util/assets");
11
- var custom_property_1 = require("Molstar/mol-model/custom-property");
5
+ var custom_model_property_1 = require("molstar/lib/mol-model-props/common/custom-model-property");
6
+ var wrapper_1 = require("molstar/lib/mol-model-props/common/wrapper");
7
+ var custom_property_1 = require("molstar/lib/mol-model/custom-property");
8
+ var structure_1 = require("molstar/lib/mol-model/structure");
9
+ var array_1 = require("molstar/lib/mol-util/array");
10
+ var assets_1 = require("molstar/lib/mol-util/assets");
11
+ var param_definition_1 = require("molstar/lib/mol-util/param-definition");
12
12
  var DomainAnnotations;
13
13
  (function (DomainAnnotations) {
14
14
  DomainAnnotations.DefaultServerUrl = 'https://www.ebi.ac.uk/pdbe/api/mappings';
@@ -1,5 +1,5 @@
1
1
  /** Helper functions to allow visualizing Foldseek results and superposing them on the query structure */
2
- import { Mat4 } from 'Molstar/mol-math/linear-algebra';
2
+ import { Mat4 } from 'molstar/lib/mol-math/linear-algebra';
3
3
  import { PDBeMolstarPlugin } from '..';
4
4
  export interface FoldseekApiData {
5
5
  query: string;
@@ -3,8 +3,8 @@
3
3
  Object.defineProperty(exports, "__esModule", { value: true });
4
4
  exports.exportModels = exports.loadFoldseekSuperposition = void 0;
5
5
  var tslib_1 = require("tslib");
6
- var export_1 = require("Molstar/extensions/model-export/export");
7
- var minimize_rmsd_1 = require("Molstar/mol-math/linear-algebra/3d/minimize-rmsd");
6
+ var export_1 = require("molstar/lib/extensions/model-export/export");
7
+ var minimize_rmsd_1 = require("molstar/lib/mol-math/linear-algebra/3d/minimize-rmsd");
8
8
  var superposition_1 = require("../superposition");
9
9
  /** Load target structure as defined by `apiData`
10
10
  * and superpose it on the already loaded query structure. */
package/lib/helpers.d.ts CHANGED
@@ -1,10 +1,11 @@
1
- import { Model, Structure } from 'Molstar/mol-model/structure';
2
- import { BuiltInTrajectoryFormat } from 'Molstar/mol-plugin-state/formats/trajectory';
3
- import { StructureRef } from 'Molstar/mol-plugin-state/manager/structure/hierarchy-state';
4
- import { PluginContext } from 'Molstar/mol-plugin/context';
5
- import Expression from 'Molstar/mol-script/language/expression';
6
- import { Overpaint } from 'Molstar/mol-theme/overpaint';
7
- import { InitParams } from './spec';
1
+ import { Model, Structure } from 'molstar/lib/mol-model/structure';
2
+ import { BuiltInTrajectoryFormat } from 'molstar/lib/mol-plugin-state/formats/trajectory';
3
+ import { StructureRef } from 'molstar/lib/mol-plugin-state/manager/structure/hierarchy-state';
4
+ import { PluginContext } from 'molstar/lib/mol-plugin/context';
5
+ import { Expression } from 'molstar/lib/mol-script/language/expression';
6
+ import { Overpaint } from 'molstar/lib/mol-theme/overpaint';
7
+ import { Color } from 'molstar/lib/mol-util/color';
8
+ import { AnyColor, InitParams } from './spec';
8
9
  export type SupportedFormats = 'mmcif' | 'bcif' | 'cif' | 'pdb' | 'sdf';
9
10
  export type LoadParams = {
10
11
  url: string;
@@ -44,12 +45,12 @@ export type LigandQueryParam = {
44
45
  };
45
46
  export declare namespace LigandView {
46
47
  function query(ligandViewParams: LigandQueryParam): {
47
- core: Expression.Expression;
48
- surroundings: Expression.Expression;
48
+ core: Expression;
49
+ surroundings: Expression;
49
50
  };
50
51
  function branchedQuery(params: any): {
51
- core: Expression.Expression;
52
- surroundings: Expression.Expression;
52
+ core: Expression;
53
+ surroundings: Expression;
53
54
  };
54
55
  }
55
56
  export type QueryParam = {
@@ -83,9 +84,9 @@ export type QueryParam = {
83
84
  end_uniprot_residue_number?: number;
84
85
  };
85
86
  export declare namespace QueryHelper {
86
- function getQueryObject(params: QueryParam[], contextData: Structure): Expression.Expression;
87
+ function getQueryObject(params: QueryParam[], contextData: Structure): Expression;
87
88
  function getInteractivityLoci(params: QueryParam[], contextData: Structure): import("molstar/lib/mol-model/structure/structure/element/loci").Loci;
88
- function getHetLoci(queryExp: Expression.Expression, contextData: Structure): import("molstar/lib/mol-model/structure/structure/element/loci").Loci;
89
+ function getHetLoci(queryExp: Expression, contextData: Structure): import("molstar/lib/mol-model/structure/structure/element/loci").Loci;
89
90
  }
90
91
  export interface ModelInfo {
91
92
  hetNames: string[];
@@ -107,6 +108,10 @@ export interface ModelServerRequest {
107
108
  export declare function getStructureUrl(initParams: InitParams, request: ModelServerRequest): string;
108
109
  /** Create a copy of object `object`, fill in missing/undefined keys using `defaults` */
109
110
  export declare function addDefaults<T extends {}>(object: Partial<T> | undefined, defaults: T): T;
111
+ /** Convert `colorVal` from any of supported color formats (e.g. 'yellow', '#ffff00', {r:255,g:255,b:0}) to `Color`.
112
+ * Return default color (gray) if `colorVal` is undefined or null.
113
+ */
114
+ export declare function normalizeColor(colorVal: AnyColor | null | undefined, defaultColor?: Color): Color;
110
115
  /** Apply overpaint to every representation of every component in a structure.
111
116
  * Excludes representations created as "added representations" by `PDBeMolstarPlugin.visual.select`. */
112
117
  export declare function applyOverpaint(plugin: PluginContext, structRef: StructureRef, overpaintLayers: Overpaint.BundleLayer[]): Promise<void>;
@@ -125,4 +130,6 @@ export declare const StructureComponentTags: {
125
130
  coarse: string[];
126
131
  maps: string[];
127
132
  };
133
+ /** Return component type based on the component's PluginStateObject tags */
134
+ export declare function getComponentTypeFromTags(tags: string[] | undefined): keyof typeof StructureComponentTags | undefined;
128
135
  export {};
package/lib/helpers.js CHANGED
@@ -1,17 +1,19 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
- exports.StructureComponentTags = exports.Tags = exports.applyOverpaint = exports.addDefaults = exports.getStructureUrl = exports.runWithProgressMessage = exports.ModelInfo = exports.QueryHelper = exports.LigandView = exports.AlphafoldView = exports.PDBeVolumes = void 0;
3
+ exports.getComponentTypeFromTags = exports.StructureComponentTags = exports.Tags = exports.applyOverpaint = exports.normalizeColor = exports.addDefaults = exports.getStructureUrl = exports.runWithProgressMessage = exports.ModelInfo = exports.QueryHelper = exports.LigandView = exports.AlphafoldView = exports.PDBeVolumes = void 0;
4
4
  var tslib_1 = require("tslib");
5
- var prop_1 = require("Molstar/extensions/model-archive/quality-assessment/prop");
6
- var structure_1 = require("Molstar/mol-model/structure");
7
- var query_1 = require("Molstar/mol-model/structure/query/query");
8
- var transforms_1 = require("Molstar/mol-plugin-state/transforms");
9
- var transformers_1 = require("Molstar/mol-plugin/behavior/dynamic/volume-streaming/transformers");
10
- var commands_1 = require("Molstar/mol-plugin/commands");
11
- var builder_1 = require("Molstar/mol-script/language/builder");
12
- var compiler_1 = require("Molstar/mol-script/runtime/query/compiler");
13
- var mol_state_1 = require("Molstar/mol-state");
14
- var mol_task_1 = require("Molstar/mol-task");
5
+ var prop_1 = require("molstar/lib/extensions/model-archive/quality-assessment/prop");
6
+ var structure_1 = require("molstar/lib/mol-model/structure");
7
+ var query_1 = require("molstar/lib/mol-model/structure/query/query");
8
+ var transforms_1 = require("molstar/lib/mol-plugin-state/transforms");
9
+ var transformers_1 = require("molstar/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers");
10
+ var commands_1 = require("molstar/lib/mol-plugin/commands");
11
+ var builder_1 = require("molstar/lib/mol-script/language/builder");
12
+ var compiler_1 = require("molstar/lib/mol-script/runtime/query/compiler");
13
+ var mol_state_1 = require("molstar/lib/mol-state");
14
+ var mol_task_1 = require("molstar/lib/mol-task");
15
+ var color_1 = require("molstar/lib/mol-util/color");
16
+ var names_1 = require("molstar/lib/mol-util/color/names");
15
17
  var sifts_mapping_1 = require("./sifts-mapping");
16
18
  var PDBeVolumes;
17
19
  (function (PDBeVolumes) {
@@ -341,6 +343,30 @@ function addDefaults(object, defaults) {
341
343
  return result;
342
344
  }
343
345
  exports.addDefaults = addDefaults;
346
+ /** Convert `colorVal` from any of supported color formats (e.g. 'yellow', '#ffff00', {r:255,g:255,b:0}) to `Color`.
347
+ * Return default color (gray) if `colorVal` is undefined or null.
348
+ */
349
+ function normalizeColor(colorVal, defaultColor) {
350
+ var _a, _b, _c;
351
+ if (defaultColor === void 0) { defaultColor = color_1.Color.fromRgb(170, 170, 170); }
352
+ try {
353
+ if (colorVal === undefined || colorVal === null)
354
+ return defaultColor;
355
+ if (typeof colorVal === 'number')
356
+ return (0, color_1.Color)(colorVal);
357
+ if (typeof colorVal === 'string' && colorVal[0] === '#')
358
+ return (0, color_1.Color)(Number("0x".concat(colorVal.substring(1))));
359
+ if (typeof colorVal === 'string' && colorVal in names_1.ColorNames)
360
+ return names_1.ColorNames[colorVal];
361
+ if (typeof colorVal === 'object')
362
+ return color_1.Color.fromRgb((_a = colorVal.r) !== null && _a !== void 0 ? _a : 0, (_b = colorVal.g) !== null && _b !== void 0 ? _b : 0, (_c = colorVal.b) !== null && _c !== void 0 ? _c : 0);
363
+ }
364
+ catch (_d) {
365
+ // do nothing
366
+ }
367
+ return defaultColor;
368
+ }
369
+ exports.normalizeColor = normalizeColor;
344
370
  /** Apply overpaint to every representation of every component in a structure.
345
371
  * Excludes representations created as "added representations" by `PDBeMolstarPlugin.visual.select`. */
346
372
  function applyOverpaint(plugin, structRef, overpaintLayers) {
@@ -396,3 +422,15 @@ exports.StructureComponentTags = {
396
422
  coarse: ['structure-component-static-coarse'],
397
423
  maps: ['volume-streaming-info'],
398
424
  };
425
+ /** Return component type based on the component's PluginStateObject tags */
426
+ function getComponentTypeFromTags(tags) {
427
+ var type;
428
+ for (type in exports.StructureComponentTags) {
429
+ var typeTags = exports.StructureComponentTags[type];
430
+ if (typeTags.some(function (tag) { return tags === null || tags === void 0 ? void 0 : tags.includes(tag); })) {
431
+ return type;
432
+ }
433
+ }
434
+ return undefined;
435
+ }
436
+ exports.getComponentTypeFromTags = getComponentTypeFromTags;