@datagrok-libraries/bio 5.28.3 → 5.29.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
package/package.json CHANGED
@@ -8,7 +8,7 @@
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  "access": "public"
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  },
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  "friendlyName": "Datagrok bio library",
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- "version": "5.28.3",
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+ "version": "5.29.0",
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  "description": "",
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  "dependencies": {
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  "@datagrok-libraries/gridext": "^1.3.22",
@@ -14,6 +14,7 @@ export declare const enum ALPHABET {
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  DNA = "DNA",
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  RNA = "RNA",
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  PT = "PT",
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+ /** Unknown */
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  UN = "UN"
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  }
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  export declare const enum TAGS {
@@ -1 +1 @@
1
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1
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@@ -1 +1 @@
1
- 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1
+ 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@@ -1 +1 @@
1
- {"version":3,"file":"units-handler.d.ts","sourceRoot":"","sources":["units-handler.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EACgB,QAAQ,EAG7B,YAAY,EAEb,MAAM,iBAAiB,CAAC;AAEzB,iEAAiE;AACjE,qBAAa,YAAY;IACvB,SAAS,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,MAAM,CAAC;IACtC,SAAS,CAAC,MAAM,EAAE,MAAM,CAAC;IACzB,SAAS,CAAC,SAAS,EAAE,QAAQ,CAAC;IAC9B,SAAS,CAAC,iBAAiB,EAAE,MAAM,CAAC;IACpC,SAAS,CAAC,MAAM,CAAC,QAAQ,CAAC,sBAAsB;;;;MAI9C;IAEF,gBAAuB,oBAAoB,cAGxC;IACH,gBAAuB,gBAAgB,cAAyC;IAChF,gBAAuB,gBAAgB,cAAyC;WAElE,qBAAqB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM;WAQpC,yBAAyB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,SAAS,CAAC,EAAE,MAAM;WAW5D,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM;IAQjD,+BAA+B;WACjB,OAAO,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,QAAQ,EAAE,YAAY,GAAG,IAAI;IAuBnE,SAAS,KAAK,KAAK,IAAI,MAAM,CAAwB;IAErD,SAAS,KAAK,MAAM,IAAI,EAAE,CAAC,MAAM,CAAyB;IAE1D,IAAW,QAAQ,IAAI,QAAQ,CAA2B;IAE1D,IAAW,gBAAgB,IAAI,MAAM,CAAmC;IAExE,IAAW,SAAS,IAAI,MAAM,GAAG,SAAS,CAKzC;IAED,IAAW,OAAO,IAAI,MAAM,CAQ3B;IAED,iCAAiC;IACjC,IAAW,QAAQ,IAAI,MAAM,CAQ5B;IAEM,eAAe,IAAI,MAAM;IA6BzB,sBAAsB,IAAI,OAAO;IAOjC,OAAO,IAAI,OAAO;IAElB,WAAW,IAAI,OAAO;IAEtB,MAAM,IAAI,OAAO;IAEjB,KAAK,IAAI,OAAO;IAEhB,KAAK,IAAI,OAAO;IAEhB,SAAS,IAAI,OAAO;IAEpB,KAAK,IAAI,OAAO;IAEvB,4DAA4D;IAC5D;;OAEG;IACH,SAAS,CAAC,WAAW,IAAI,QAAQ;IAWjC;;;;;;OAMG;IACH,SAAS,CAAC,YAAY,CAAC,cAAc,EAAE,QAAQ,EAAE,SAAS,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM;IAsC/E;;;;;;OAMG;WACW,YAAY,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM;IAM7D;;;;;OAKG;WACW,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO;IASxD;;;;;;;;OAQG;WACW,sBAAsB,CAClC,GAAG,EAAE,MAAM,EACX,IAAI,EAAE,MAAM,EACZ,KAAK,EAAE,MAAM,GACZ,EAAE,CAAC,MAAM;gBAYO,GAAG,EAAE,EAAE,CAAC,MAAM;CA4ClC"}
1
+ {"version":3,"file":"units-handler.d.ts","sourceRoot":"","sources":["units-handler.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EACgB,QAAQ,EAG7B,YAAY,EAEb,MAAM,iBAAiB,CAAC;AAEzB,iEAAiE;AACjE,qBAAa,YAAY;IACvB,SAAS,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,MAAM,CAAC;IACtC,SAAS,CAAC,MAAM,EAAE,MAAM,CAAC;IACzB,SAAS,CAAC,SAAS,EAAE,QAAQ,CAAC;IAC9B,SAAS,CAAC,iBAAiB,EAAE,MAAM,CAAC;IACpC,SAAS,CAAC,MAAM,CAAC,QAAQ,CAAC,sBAAsB;;;;MAI9C;IAEF,gBAAuB,oBAAoB,cAGxC;IACH,gBAAuB,gBAAgB,cAAyC;IAChF,gBAAuB,gBAAgB,cAAyC;WAElE,qBAAqB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM;WAQpC,yBAAyB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,SAAS,CAAC,EAAE,MAAM;WAW5D,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM;IAQjD,+BAA+B;WACjB,OAAO,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,QAAQ,EAAE,YAAY,GAAG,IAAI;IAuBnE,SAAS,KAAK,KAAK,IAAI,MAAM,CAAwB;IAErD,SAAS,KAAK,MAAM,IAAI,EAAE,CAAC,MAAM,CAAyB;IAE1D,IAAW,QAAQ,IAAI,QAAQ,CAA2B;IAE1D,IAAW,gBAAgB,IAAI,MAAM,CAAmC;IAExE,IAAW,SAAS,IAAI,MAAM,GAAG,SAAS,CAKzC;IAED,IAAW,OAAO,IAAI,MAAM,CAQ3B;IAED,iCAAiC;IACjC,IAAW,QAAQ,IAAI,MAAM,CAQ5B;IAEM,eAAe,IAAI,MAAM;IA6BzB,sBAAsB,IAAI,OAAO;IASjC,OAAO,IAAI,OAAO;IAElB,WAAW,IAAI,OAAO;IAEtB,MAAM,IAAI,OAAO;IAEjB,KAAK,IAAI,OAAO;IAEhB,KAAK,IAAI,OAAO;IAEhB,SAAS,IAAI,OAAO;IAEpB,KAAK,IAAI,OAAO;IAEvB,4DAA4D;IAC5D;;OAEG;IACH,SAAS,CAAC,WAAW,IAAI,QAAQ;IAWjC;;;;;;OAMG;IACH,SAAS,CAAC,YAAY,CAAC,cAAc,EAAE,QAAQ,EAAE,SAAS,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM;IAsC/E;;;;;;OAMG;WACW,YAAY,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM;IAM7D;;;;;OAKG;WACW,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO;IASxD;;;;;;;;OAQG;WACW,sBAAsB,CAClC,GAAG,EAAE,MAAM,EACX,IAAI,EAAE,MAAM,EACZ,KAAK,EAAE,MAAM,GACZ,EAAE,CAAC,MAAM;gBAYO,GAAG,EAAE,EAAE,CAAC,MAAM;CA+ClC"}
@@ -9,7 +9,7 @@ export class UnitsHandler {
9
9
  UnitsHandler.setTags(col, splitterAsFasta);
10
10
  }
11
11
  static setUnitsToSeparatorColumn(col, separator) {
12
- if (col.semType !== DG.SEMTYPE.MACROMOLECULE || col.getTag(DG.TAGS.UNITS) !== "separator" /* NOTATION.SEPARATOR */ || !separator)
12
+ if (col.semType !== DG.SEMTYPE.MACROMOLECULE || col.getTag(DG.TAGS.UNITS) !== "separator" /* NOTATION.SEPARATOR */)
13
13
  throw new Error(`The column of notation '${"separator" /* NOTATION.SEPARATOR */}' must be '${DG.SEMTYPE.MACROMOLECULE}'.`);
14
14
  if (!separator)
15
15
  throw new Error(`The column of notation '${"separator" /* NOTATION.SEPARATOR */}' must have the separator tag.`);
@@ -101,10 +101,12 @@ export class UnitsHandler {
101
101
  }
102
102
  }
103
103
  getAlphabetIsMultichar() {
104
- if (this.notation == "helm" /* NOTATION.HELM */ || this.alphabet == "UN" /* ALPHABET.UN */)
105
- return this.column.getTag(".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */) == 'true';
106
- else
104
+ if (this.notation === "helm" /* NOTATION.HELM */)
105
+ return true;
106
+ else if (this.alphabet !== "UN" /* ALPHABET.UN */)
107
107
  return false;
108
+ else
109
+ return this.column.getTag(".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */) === 'true';
108
110
  }
109
111
  isFasta() { return this.notation === "fasta" /* NOTATION.FASTA */; }
110
112
  isSeparator() { return this.notation === "separator" /* NOTATION.SEPARATOR */; }
@@ -213,8 +215,8 @@ export class UnitsHandler {
213
215
  }
214
216
  constructor(col) {
215
217
  this._column = col;
216
- const units = this._column.tags[DG.TAGS.UNITS];
217
- if (units !== null)
218
+ const units = this._column.getTag(DG.TAGS.UNITS);
219
+ if (units !== null && units !== undefined)
218
220
  this._units = units;
219
221
  else
220
222
  throw new Error('Units are not specified in column');
@@ -222,7 +224,10 @@ export class UnitsHandler {
222
224
  this._defaultGapSymbol = (this.isFasta()) ? UnitsHandler._defaultGapSymbolsDict.FASTA :
223
225
  (this.isHelm()) ? UnitsHandler._defaultGapSymbolsDict.HELM :
224
226
  UnitsHandler._defaultGapSymbolsDict.SEPARATOR;
225
- if (!this.column.tags.has("aligned" /* TAGS.aligned */) || !this.column.tags.has("alphabet" /* TAGS.alphabet */)) {
227
+ if (!this.column.tags.has("aligned" /* TAGS.aligned */) || !this.column.tags.has("alphabet" /* TAGS.alphabet */) ||
228
+ (!this.column.tags.has(".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */) && !this.isHelm() && this.alphabet === "UN" /* ALPHABET.UN */)) {
229
+ // The following detectors and setters are to be called because the column is likely
230
+ // as the UnitsHandler constructor was called on the column.
226
231
  if (this.isFasta()) {
227
232
  UnitsHandler.setUnitsToFastaColumn(this.column);
228
233
  }
@@ -247,8 +252,7 @@ export class UnitsHandler {
247
252
  // }
248
253
  if (!this.column.tags.has(".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */)) {
249
254
  if (this.isHelm()) {
250
- throw new Error(`For column '${this.column.name}' of notation '${this.notation}' ` +
251
- `tag '${".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */}' is mandatory.`);
255
+ this.column.setTag(".alphabetIsMultichar" /* TAGS.alphabetIsMultichar */, 'true');
252
256
  }
253
257
  else if (['UN'].includes(this.alphabet)) {
254
258
  throw new Error(`For column '${this.column.name}' of alphabet '${this.alphabet}' ` +
@@ -1 +1 @@
1
- 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1
+ 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@@ -1,27 +1,38 @@
1
1
  import * as DG from 'datagrok-api/dg';
2
2
  import { IViewer } from './viewer';
3
3
  import { Observable } from 'rxjs';
4
- import { MjolnirPointerEvent } from 'mjolnir.js';
5
- import { PickingInfo } from '@deck.gl/core/typed';
6
4
  export type NodeStyleType = {
7
5
  [propName: string]: any;
8
6
  };
9
7
  export type StylesType = {
10
8
  [nodeName: string]: NodeStyleType;
11
9
  };
12
- export interface INglGlViewer extends IViewer {
13
- get nwkDf(): DG.DataFrame;
14
- set nwkDf(value: DG.DataFrame);
15
- setProps(updater: {
16
- [propName: string]: any;
17
- }): void;
18
- get onAfterRender(): Observable<{
19
- gl: WebGLRenderingContext;
20
- }>;
21
- get onHover(): Observable<{
22
- info: PickingInfo;
23
- event: MjolnirPointerEvent;
24
- }>;
10
+ export declare enum RepresentationType {
11
+ Cartoon = "cartoon",
12
+ Backbone = "backbone",
13
+ BallAndStick = "ball+stick",
14
+ Licorice = "licorice",
15
+ Hyperball = "hyperball",
16
+ Surface = "surface"
17
+ }
18
+ export declare const NglPropsDefault: {
19
+ pdb: string | null;
20
+ pdbTag: string | null;
21
+ ligandColumnName: string | null;
22
+ representation: RepresentationType;
23
+ showSelectedRowsLigands: boolean;
24
+ showCurrentRowLigand: boolean;
25
+ showMouseOverRowLigand: boolean;
26
+ };
27
+ export type NglProps = Required<typeof NglPropsDefault>;
28
+ export interface INglViewer extends IViewer {
29
+ setOptions(options: Partial<NglProps>): void;
30
+ get onAfterBuildView(): Observable<void>;
31
+ }
32
+ declare module 'datagrok-api/dg' {
33
+ interface DataFramePlotHelper {
34
+ fromType(viewerType: 'NGL', options: Partial<NglProps>): Promise<DG.Viewer & INglViewer>;
35
+ }
25
36
  }
26
37
  export type NglGlTask = {
27
38
  name: string;
@@ -1 +1 @@
1
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@@ -8,6 +8,29 @@ var __awaiter = (this && this.__awaiter) || function (thisArg, _arguments, P, ge
8
8
  });
9
9
  };
10
10
  import * as DG from 'datagrok-api/dg';
11
+ export var RepresentationType;
12
+ (function (RepresentationType) {
13
+ RepresentationType["Cartoon"] = "cartoon";
14
+ RepresentationType["Backbone"] = "backbone";
15
+ RepresentationType["BallAndStick"] = "ball+stick";
16
+ RepresentationType["Licorice"] = "licorice";
17
+ RepresentationType["Hyperball"] = "hyperball";
18
+ RepresentationType["Surface"] = "surface";
19
+ })(RepresentationType || (RepresentationType = {}));
20
+ export const NglPropsDefault = new class {
21
+ constructor() {
22
+ // -- Data --
23
+ this.pdb = null;
24
+ this.pdbTag = null;
25
+ this.ligandColumnName = null;
26
+ // -- Style --
27
+ this.representation = RepresentationType.Cartoon;
28
+ // -- Behaviour --
29
+ this.showSelectedRowsLigands = false;
30
+ this.showCurrentRowLigand = true;
31
+ this.showMouseOverRowLigand = true;
32
+ }
33
+ }();
11
34
  export class NglGlServiceBase {
12
35
  }
13
36
  NglGlServiceBase.noneSource = {
@@ -1 +1 @@
1
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+ {"version":3,"file":"ngl-gl-viewer.js","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":";;;;;;;;;AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAWtC,MAAM,CAAN,IAAY,kBAOX;AAPD,WAAY,kBAAkB;IAC5B,yCAAmB,CAAA;IACnB,2CAAqB,CAAA;IACrB,iDAA2B,CAAA;IAC3B,2CAAqB,CAAA;IACrB,6CAAuB,CAAA;IACvB,yCAAmB,CAAA;AACrB,CAAC,EAPW,kBAAkB,KAAlB,kBAAkB,QAO7B;AAED,MAAM,CAAC,MAAM,eAAe,GAAG,IAAI;IAAA;QACjC,aAAa;QACb,QAAG,GAAkB,IAAI,CAAC;QAC1B,WAAM,GAAkB,IAAI,CAAC;QAC7B,qBAAgB,GAAkB,IAAI,CAAC;QAEvC,cAAc;QACd,mBAAc,GAAuB,kBAAkB,CAAC,OAAO,CAAC;QAEhE,kBAAkB;QAElB,4BAAuB,GAAY,KAAK,CAAC;QACzC,yBAAoB,GAAY,IAAI,CAAC;QACrC,2BAAsB,GAAY,IAAI,CAAC;IACzC,CAAC;CAAA,EAAE,CAAC;AAyBJ,MAAM,OAAgB,gBAAgB;;AACtB,2BAAU,GAAgC;IACtD,IAAI,EAAE,OAAO;IACb,IAAI,EAAE,EAAC,IAAI,EAAE,MAAM,EAAE,aAAa,EAAE,CAAC,EAAE,QAAQ,EAAE,EAAE,EAAC;CACrD,CAAC;AAkBJ,MAAM,UAAgB,eAAe;;QACnC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,oBAAoB,EAAE,IAAI,EAAE,iBAAiB,EAAC,CAAC,CAAC;QACxF,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;YACvB,MAAM,IAAI,KAAK,CAAC,oEAAoE,CAAC,CAAC;QAExF,MAAM,GAAG,GAAqB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAsB,CAAC;QAC7G,OAAO,GAAG,CAAC;IACb,CAAC;CAAA"}