@datagrok/bio 2.11.23 → 2.11.26

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.
Files changed (48) hide show
  1. package/CHANGELOG.md +1 -0
  2. package/dist/100.js +2 -0
  3. package/dist/100.js.map +1 -0
  4. package/dist/118.js +2 -0
  5. package/dist/118.js.map +1 -0
  6. package/dist/361.js +1 -1
  7. package/dist/361.js.map +1 -1
  8. package/dist/471.js +2 -0
  9. package/dist/471.js.map +1 -0
  10. package/dist/649.js +2 -0
  11. package/dist/649.js.map +1 -0
  12. package/dist/664.js +2 -0
  13. package/dist/664.js.map +1 -0
  14. package/dist/886.js +3 -0
  15. package/dist/886.js.map +1 -0
  16. package/dist/package-test.js +1 -2
  17. package/dist/package-test.js.map +1 -1
  18. package/dist/package.js +1 -2
  19. package/dist/package.js.map +1 -1
  20. package/package.json +4 -4
  21. package/src/analysis/sequence-space.ts +2 -75
  22. package/src/demo/bio01b-hierarchical-clustering-and-activity-cliffs.ts +3 -2
  23. package/src/demo/bio05-helm-msa-sequence-space.ts +1 -1
  24. package/src/demo/utils.ts +6 -5
  25. package/src/package.ts +53 -67
  26. package/src/tests/activity-cliffs-tests.ts +7 -7
  27. package/src/tests/activity-cliffs-utils.ts +5 -4
  28. package/src/tests/msa-tests.ts +2 -2
  29. package/src/tests/pepsea-tests.ts +1 -1
  30. package/src/tests/sequence-space-test.ts +1 -1
  31. package/src/tests/sequence-space-utils.ts +1 -1
  32. package/src/tests/utils.ts +4 -2
  33. package/src/widgets/bio-substructure-filter.ts +51 -24
  34. package/dist/23.js +0 -2
  35. package/dist/23.js.map +0 -1
  36. package/dist/282.js +0 -2
  37. package/dist/282.js.map +0 -1
  38. package/dist/378.js +0 -2
  39. package/dist/378.js.map +0 -1
  40. package/dist/40.js +0 -2
  41. package/dist/40.js.map +0 -1
  42. package/dist/65.js +0 -2
  43. package/dist/65.js.map +0 -1
  44. package/dist/935.js +0 -3
  45. package/dist/935.js.map +0 -1
  46. package/dist/package-test.js.LICENSE.txt +0 -51
  47. package/dist/package.js.LICENSE.txt +0 -51
  48. /package/dist/{935.js.LICENSE.txt → 886.js.LICENSE.txt} +0 -0
@@ -6,17 +6,21 @@
6
6
 
7
7
  import * as ui from 'datagrok-api/ui';
8
8
  import * as DG from 'datagrok-api/dg';
9
-
10
9
  import * as grok from 'datagrok-api/grok';
10
+
11
11
  import wu from 'wu';
12
- import {helmSubstructureSearch, linearSubstructureSearch} from '../substructure-search/substructure-search';
13
- import {Subject, Subscription} from 'rxjs';
14
- import {updateDivInnerHTML} from '../utils/ui-utils';
12
+ import {fromEvent, Subject, Subscription, Unsubscribable} from 'rxjs';
13
+ import {debounceTime} from 'rxjs/operators';
14
+
15
15
  import {TAGS as bioTAGS, NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule';
16
+ import {errInfo, errStack} from '@datagrok-libraries/bio/src/utils/err-info';
16
17
  import {delay} from '@datagrok-libraries/utils/src/test';
17
- import {debounceTime} from 'rxjs/operators';
18
+ import {IHelmWebEditor} from '@datagrok-libraries/bio/src/types/editor';
18
19
 
19
- import {_package} from '../package-test';
20
+ import {helmSubstructureSearch, linearSubstructureSearch} from '../substructure-search/substructure-search';
21
+ import {updateDivInnerHTML} from '../utils/ui-utils';
22
+
23
+ import {_package} from '../package';
20
24
 
21
25
  export class BioSubstructureFilter extends DG.Filter {
22
26
  bioFilter: BioFilterBase | null = null;
@@ -84,6 +88,7 @@ export class BioSubstructureFilter extends DG.Filter {
84
88
  }
85
89
 
86
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  detach() {
91
+ if (this.bioFilter) this.bioFilter.detach();
87
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  super.detach();
88
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  }
89
94
 
@@ -147,18 +152,16 @@ abstract class BioFilterBase {
147
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  return new HTMLElement();
148
153
  }
149
154
 
150
- get substructure() {
151
- return '';
152
- }
153
-
154
- set substructure(s: string) {
155
- }
155
+ abstract get substructure(): string;
156
+ abstract set substructure(s: string);
156
157
 
157
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  async substructureSearch(_column: DG.Column): Promise<DG.BitSet | null> {
158
159
  return null;
159
160
  }
160
161
 
161
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  abstract resetFilter(): void;
163
+
164
+ abstract detach(): void;
162
165
  }
163
166
 
164
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  class FastaFilter extends BioFilterBase {
@@ -191,6 +194,8 @@ class FastaFilter extends BioFilterBase {
191
194
  resetFilter(): void {
192
195
  this.substructureInput.value = '';
193
196
  }
197
+
198
+ detach(): void { }
194
199
  }
195
200
 
196
201
  export class SeparatorFilter extends FastaFilter {
@@ -227,10 +232,12 @@ export class SeparatorFilter extends FastaFilter {
227
232
  async substructureSearch(column: DG.Column): Promise<DG.BitSet | null> {
228
233
  return linearSubstructureSearch(this.substructure, column, this.colSeparator);
229
234
  }
235
+
236
+ detach(): void { }
230
237
  }
231
238
 
232
239
  export class HelmFilter extends BioFilterBase {
233
- helmEditor: any;
240
+ helmEditor: IHelmWebEditor;
234
241
  _filterPanel = ui.div('', {style: {cursor: 'pointer'}});
235
242
  helmSubstructure = '';
236
243
 
@@ -239,14 +246,18 @@ export class HelmFilter extends BioFilterBase {
239
246
  this.init();
240
247
  }
241
248
 
249
+ viewSubs: Unsubscribable[] = [];
250
+
242
251
  async init() {
243
- this.helmEditor = await grok.functions.call('HELM:helmWebEditor');
252
+ this.helmEditor = await grok.functions.call('Helm:helmWebEditor');
244
253
  await ui.tools.waitForElementInDom(this._filterPanel);
245
254
  this.updateFilterPanel();
246
- this._filterPanel.addEventListener('click', (_event: MouseEvent) => {
247
- const {editorDiv, webEditor} = this.helmEditor.createWebEditor(this.helmSubstructure);
248
- //@ts-ignore
249
- ui.dialog({showHeader: false, showFooter: true})
255
+ let editorDiv: HTMLDivElement | undefined;
256
+ let webEditor: any | undefined;
257
+ // TODO: Unsubscribe 'click' and 'sizeChanged'
258
+ this.viewSubs.push(fromEvent(this._filterPanel, 'click').subscribe(() => {
259
+ ({editorDiv, webEditor} = this.helmEditor.createWebEditor(this.helmSubstructure));
260
+ const dlg = ui.dialog({showHeader: false, showFooter: true})
250
261
  .add(editorDiv)
251
262
  .onOK(() => {
252
263
  const helmString = webEditor.canvas.getHelm(true)
@@ -255,12 +266,24 @@ export class HelmFilter extends BioFilterBase {
255
266
  this.updateFilterPanel(this.substructure);
256
267
  setTimeout(() => { this.onChanged.next(); }, 10);
257
268
  }).show({modal: true, fullScreen: true});
258
- });
259
- ui.onSizeChanged(this._filterPanel).subscribe((_) => {
260
- const helmString = this.helmEditor
261
- .webEditor.canvas.getHelm(true).replace(/<\/span>/g, '').replace(/<span style='background:#bbf;'>/g, '');
262
- this.updateFilterPanel(helmString);
263
- });
269
+ const onCloseSub = dlg.onClose.subscribe(() => {
270
+ onCloseSub.unsubscribe();
271
+ editorDiv = undefined;
272
+ webEditor = undefined;
273
+ });
274
+ }));
275
+ this.viewSubs.push(ui.onSizeChanged(this._filterPanel).subscribe((_) => {
276
+ try {
277
+ if (!!webEditor) {
278
+ const helmString = webEditor.canvas.getHelm(true)
279
+ .replace(/<\/span>/g, '').replace(/<span style='background:#bbf;'>/g, '');
280
+ this.updateFilterPanel(helmString);
281
+ }
282
+ } catch (err: any) {
283
+ const [errMsg, errStack] = errInfo(err);
284
+ _package.logger.error(errMsg, undefined, errStack);
285
+ }
286
+ }));
264
287
  }
265
288
 
266
289
  get filterPanel() {
@@ -302,4 +325,8 @@ export class HelmFilter extends BioFilterBase {
302
325
  this.helmSubstructure = '';
303
326
  this.updateFilterPanel(this.substructure);
304
327
  }
328
+
329
+ detach(): void {
330
+ for (const sub of this.viewSubs) sub.unsubscribe();
331
+ }
305
332
  }
package/dist/23.js DELETED
@@ -1,2 +0,0 @@
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{ isNil } from './utils';\nimport { Measure, isBitArrayMetric } from '../typed-metrics';\nimport BitArray from '@datagrok-libraries/utils/src/bit-array';\nonmessage = async (event) => {\n const { values, startIdx, endIdx, threshold, fnName, opts } = event.data;\n try {\n // if (startIdx != -1)\n // throw new Error('Error in sparse matrix worker'); // TODO: remove this line\n const i = [];\n const j = [];\n const distances = [];\n const chunkSize = endIdx - startIdx;\n //const mi = startRow;\n //const mj = startCol;\n if (isBitArrayMetric(fnName)) {\n for (let i = 0; i < values.length; ++i) {\n if (isNil(values[i]))\n continue;\n values[i] = new BitArray(values[i]._data, values[i]._length);\n }\n }\n let cnt = 0;\n const distanceFn = new Measure(fnName).getMeasure(opts);\n const startRow = values.length - 2 - Math.floor(Math.sqrt(-8 * startIdx + 4 * values.length * (values.length - 1) - 7) / 2 - 0.5);\n const startCol = startIdx - values.length * startRow + Math.floor((startRow + 1) * 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{ insertSmaller, isNil } from './utils';\nimport { Measure, isBitArrayMetric } from '../typed-metrics';\nimport BitArray from '@datagrok-libraries/utils/src/bit-array';\nonmessage = async (event) => {\n const { values, startIdx, endIdx, fnName, opts, nNeighbours } = event.data;\n try {\n const knnIndexes = new Array(values.length).fill(null).map(() => new Array(nNeighbours).fill(-1));\n const knnDistances = new Array(values.length).fill(null).map(() => new Array(nNeighbours).fill(999999));\n const chunkSize = endIdx - startIdx;\n if (isBitArrayMetric(fnName)) {\n for (let i = 0; i < values.length; ++i) {\n if (isNil(values[i]))\n continue;\n values[i] = new BitArray(values[i]._data, values[i]._length);\n }\n }\n let cnt = 0;\n const distanceFn = new Measure(fnName).getMeasure(opts);\n const startRow = values.length - 2 - Math.floor(Math.sqrt(-8 * startIdx + 4 * values.length * (values.length - 1) - 7) / 2 - 0.5);\n const startCol = startIdx - values.length * startRow + Math.floor((startRow + 1) * (startRow + 2) / 2);\n let mi = startRow;\n let mj = startCol;\n while (cnt < chunkSize) {\n //const value = seq1List[mi] && seq1List[mj] ? hamming(seq1List[mi], seq1List[mj]) : 0;\n const value = !isNil(values[mi]) && !isNil(values[mj]) ?\n distanceFn(values[mi], values[mj]) : 1;\n insertSmaller(knnDistances[mi], knnIndexes[mi], value, mj);\n insertSmaller(knnDistances[mj], knnIndexes[mj], value, mi);\n cnt++;\n mj++;\n if (mj === values.length) {\n mi++;\n mj = mi + 1;\n }\n }\n postMessage({ knnDistances, knnIndexes });\n }\n catch (e) {\n postMessage({ error: e });\n }\n};\n//# 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n+32*s+e}}return-1}}r._onBitCount=Int8Array.from([0,1,1,2,1,2,2,3,1,2,2,3,2,3,3,4,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,4,5,5,6,5,6,6,7,5,6,6,7,6,7,7,8]),r._firstOnBit=Int8Array.from([-1,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,6,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,7,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,6,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0]),r._lastOnBit=Int8Array.from([-1,0,1,1,2,2,2,2,3,3,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7])},1811:(t,e,n)=>{n.d(e,{T:()=>s});const r=new Uint32Array(65536),s=(t,e)=>{if(t.length<e.length){const n=e;e=t,t=n}return 0===e.length?t.length:t.length<=32?((t,e)=>{const n=t.length,s=e.length,h=1<<n-1;let i=-1,o=0,a=n,l=n;for(;l--;)r[t.charCodeAt(l)]|=1<<l;for(l=0;l<s;l++){let t=r[e.charCodeAt(l)];const n=t|o;t|=(t&i)+i^i,o|=~(t|i),i&=t,o&h&&a++,i&h&&a--,o=o<<1|1,i=i<<1|~(n|o),o&=n}for(l=n;l--;)r[t.charCodeAt(l)]=0;return a})(t,e):((t,e)=>{const n=e.length,s=t.length,h=[],i=[],o=Math.ceil(n/32),a=Math.ceil(s/32);for(let t=0;t<o;t++)i[t]=-1,h[t]=0;let l=0;for(;l<a-1;l++){let o=0,a=-1;const g=32*l,f=Math.min(32,s)+g;for(let e=g;e<f;e++)r[t.charCodeAt(e)]|=1<<e;for(let t=0;t<n;t++){const n=r[e.charCodeAt(t)],s=i[t/32|0]>>>t&1,l=h[t/32|0]>>>t&1,g=n|o,f=((n|l)&a)+a^a|n|l;let _=o|~(f|a),c=a&f;_>>>31^s&&(i[t/32|0]^=1<<t),c>>>31^l&&(h[t/32|0]^=1<<t),_=_<<1|s,c=c<<1|l,a=c|~(g|_),o=_&g}for(let e=g;e<f;e++)r[t.charCodeAt(e)]=0}let g=0,f=-1;const _=32*l,c=Math.min(32,s-_)+_;for(let e=_;e<c;e++)r[t.charCodeAt(e)]|=1<<e;let u=s;for(let 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