@datagrok/bio 2.13.2 → 2.13.5

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Files changed (107) hide show
  1. package/.eslintrc.json +1 -1
  2. package/CHANGELOG.md +26 -0
  3. package/detectors.js +52 -38
  4. package/dist/111.js +2 -0
  5. package/dist/111.js.map +1 -0
  6. package/dist/234.js +2 -0
  7. package/dist/234.js.map +1 -0
  8. package/dist/242.js +2 -0
  9. package/dist/242.js.map +1 -0
  10. package/dist/{286.js → 248.js} +1 -1
  11. package/dist/248.js.map +1 -0
  12. package/dist/284.js +3 -0
  13. package/dist/284.js.map +1 -0
  14. package/dist/317.js +2 -0
  15. package/dist/317.js.map +1 -0
  16. package/dist/589.js +2 -0
  17. package/dist/589.js.map +1 -0
  18. package/dist/603.js +2 -0
  19. package/dist/603.js.map +1 -0
  20. package/dist/682.js +2 -0
  21. package/dist/682.js.map +1 -0
  22. package/dist/705.js +2 -0
  23. package/dist/705.js.map +1 -0
  24. package/dist/{590.js → 731.js} +2 -2
  25. package/dist/731.js.map +1 -0
  26. package/dist/778.js +2 -0
  27. package/dist/778.js.map +1 -0
  28. package/dist/793.js +2 -0
  29. package/dist/793.js.map +1 -0
  30. package/dist/950.js +2 -0
  31. package/dist/950.js.map +1 -0
  32. package/dist/package-test.js +6 -7
  33. package/dist/package-test.js.map +1 -1
  34. package/dist/package.js +6 -7
  35. package/dist/package.js.map +1 -1
  36. package/files/cache_config.json +7 -0
  37. package/package.json +17 -23
  38. package/src/analysis/sequence-activity-cliffs.ts +1 -1
  39. package/src/function-edtiors/split-to-monomers-editor.ts +6 -7
  40. package/src/package-types.ts +19 -19
  41. package/src/package.ts +23 -16
  42. package/src/substructure-search/substructure-search.ts +9 -10
  43. package/src/tests/WebLogo-positions-test.ts +6 -6
  44. package/src/tests/activity-cliffs-tests.ts +5 -2
  45. package/src/tests/bio-tests.ts +6 -6
  46. package/src/tests/checkInputColumn-tests.ts +3 -3
  47. package/src/tests/converters-test.ts +1 -1
  48. package/src/tests/detectors-tests.ts +25 -13
  49. package/src/tests/fasta-export-tests.ts +2 -2
  50. package/src/tests/mm-distance-tests.ts +1 -1
  51. package/src/tests/msa-tests.ts +2 -2
  52. package/src/tests/renderers-test.ts +5 -5
  53. package/src/tests/scoring.ts +26 -5
  54. package/src/tests/seq-handler-get-region.ts +4 -4
  55. package/src/tests/sequence-space-test.ts +1 -1
  56. package/src/tests/substructure-filters-tests.ts +4 -1
  57. package/src/tests/to-atomic-level-tests.ts +1 -1
  58. package/src/utils/cell-renderer-consts.ts +3 -11
  59. package/src/utils/cell-renderer.ts +15 -17
  60. package/src/utils/context-menu.ts +1 -1
  61. package/src/utils/convert.ts +7 -4
  62. package/src/utils/get-region-func-editor.ts +11 -16
  63. package/src/utils/get-region.ts +5 -5
  64. package/src/utils/macromolecule-column-widget.ts +1 -1
  65. package/src/utils/monomer-lib/lib-manager.ts +20 -8
  66. package/src/utils/monomer-lib/library-file-manager/file-manager.ts +28 -24
  67. package/src/utils/monomer-lib/library-file-manager/file-validator.ts +2 -1
  68. package/src/utils/monomer-lib/library-file-manager/ui.ts +3 -6
  69. package/src/utils/multiple-sequence-alignment-ui.ts +10 -11
  70. package/src/utils/multiple-sequence-alignment.ts +2 -2
  71. package/src/utils/pepsea.ts +1 -1
  72. package/src/utils/save-as-fasta.ts +5 -5
  73. package/src/viewers/vd-regions-viewer.ts +2 -2
  74. package/src/widgets/bio-substructure-filter.ts +7 -7
  75. package/src/widgets/package-settings-editor-widget.ts +27 -27
  76. package/src/widgets/representations.ts +57 -61
  77. package/tsconfig.json +4 -4
  78. package/webpack.config.js +1 -1
  79. package/dist/23.js +0 -2
  80. package/dist/23.js.map +0 -1
  81. package/dist/231.js +0 -2
  82. package/dist/231.js.map +0 -1
  83. package/dist/282.js +0 -2
  84. package/dist/282.js.map +0 -1
  85. package/dist/286.js.map +0 -1
  86. package/dist/356.js +0 -2
  87. package/dist/356.js.map +0 -1
  88. package/dist/36.js +0 -2
  89. package/dist/36.js.map +0 -1
  90. package/dist/40.js +0 -2
  91. package/dist/40.js.map +0 -1
  92. package/dist/413.js +0 -2
  93. package/dist/413.js.map +0 -1
  94. package/dist/42.js +0 -2
  95. package/dist/42.js.map +0 -1
  96. package/dist/427.js +0 -2
  97. package/dist/427.js.map +0 -1
  98. package/dist/545.js +0 -3
  99. package/dist/545.js.map +0 -1
  100. package/dist/590.js.map +0 -1
  101. package/dist/65.js +0 -2
  102. package/dist/65.js.map +0 -1
  103. package/dist/796.js +0 -2
  104. package/dist/796.js.map +0 -1
  105. package/dist/package-test.js.LICENSE.txt +0 -1
  106. package/dist/package.js.LICENSE.txt +0 -1
  107. /package/dist/{545.js.LICENSE.txt → 284.js.LICENSE.txt} +0 -0
@@ -14,7 +14,8 @@ export class MonomerLibFileValidator {
14
14
  constructor(
15
15
  private helmMonomerSchema: JSONSchemaType<any>
16
16
  ) {
17
- const ajv = new Ajv2020({allErrors: true, strictTuples: false});
17
+ // HELMMonomerSchema.json / #/properties/id uses a union type (string added by Maria Dolotova)
18
+ const ajv = new Ajv2020({allErrors: true, strictTuples: false, allowUnionTypes: true});
18
19
  addErrors(ajv);
19
20
  this.validateMonomerSchema = ajv.compile(this.helmMonomerSchema);
20
21
  }
@@ -139,12 +139,9 @@ class LibraryControlsManager {
139
139
  const logPrefix = `${this.toLog()}.createLibInput()`;
140
140
  _package.logger.debug(`${logPrefix}, libFileName = '${libFileName}', start`);
141
141
  const isMonomerLibrarySelected = !this.userLibSettings.exclude.includes(libFileName);
142
- const libInput = ui.boolInput(
143
- libFileName,
144
- isMonomerLibrarySelected,
145
- (isSelected: boolean) => {
146
- this.fileManager.eventManager.updateLibrarySelectionStatus(libFileName, isSelected);
147
- });
142
+ const libInput = ui.input.bool(libFileName, {value: isMonomerLibrarySelected, onValueChanged: (input) => {
143
+ this.fileManager.eventManager.updateLibrarySelectionStatus(libFileName, input.value);
144
+ }});
148
145
  ui.tooltip.bind(libInput.root, `Include monomers from ${libFileName}`);
149
146
  const deleteIcon = ui.iconFA('trash-alt', () => this.promptForLibraryDeletion(libFileName));
150
147
  ui.tooltip.bind(deleteIcon, `Delete ${libFileName}`);
@@ -38,18 +38,18 @@ export async function multipleSequenceAlignmentUI(
38
38
  }
39
39
 
40
40
  // UI for PepSea alignment
41
- const methodInput = ui.choiceInput('Method', options.pepsea.method, pepseaMethods);
41
+ const methodInput = ui.input.choice('Method', {value: options.pepsea.method, items: pepseaMethods});
42
42
  methodInput.setTooltip('Alignment method');
43
43
 
44
44
  // UI for Kalign alignment
45
- const terminalGapInput = ui.floatInput('Terminal gap', options?.kalign?.terminalGap ?? null);
45
+ const terminalGapInput = ui.input.float('Terminal gap', {value: options?.kalign?.terminalGap});
46
46
  terminalGapInput.setTooltip('Penalty for opening a gap at the beginning or end of the sequence');
47
47
  const kalignVersionDiv = ui.p(`Kalign version: ${kalignVersion}`, 'kalign-version');
48
48
 
49
49
  // shared UI
50
- const gapOpenInput = ui.floatInput('Gap open', options.pepsea.gapOpen);
50
+ const gapOpenInput = ui.input.float('Gap open', {value: options.pepsea.gapOpen});
51
51
  gapOpenInput.setTooltip('Gap opening penalty at group-to-group alignment');
52
- const gapExtendInput = ui.floatInput('Gap extend', options.pepsea.gapExtend);
52
+ const gapExtendInput = ui.input.float('Gap extend', {value: options.pepsea.gapExtend});
53
53
  gapExtendInput.setTooltip('Gap extension penalty to skip the alignment');
54
54
 
55
55
  const msaParamsDiv = ui.inputs([gapOpenInput, gapExtendInput, terminalGapInput]);
@@ -69,25 +69,24 @@ export async function multipleSequenceAlignmentUI(
69
69
  let performAlignment: (() => Promise<DG.Column<string> | null>) | undefined;
70
70
 
71
71
  let prevSeqCol = seqCol;
72
- const colInput = ui.columnInput(
73
- 'Sequence', table, seqCol,
74
- async (valueCol: DG.Column) => {
75
- if (!valueCol || valueCol.semType !== DG.SEMTYPE.MACROMOLECULE) {
72
+ const colInput = ui.input.column(
73
+ 'Sequence', {table: table, value: seqCol, onValueChanged: async (input: DG.InputBase<DG.Column<string>>): Promise<void> => {
74
+ if (!input.value || input.value.semType !== DG.SEMTYPE.MACROMOLECULE) {
76
75
  okBtn.disabled = true;
77
76
  await delay(0); // to
78
77
  colInput.value = prevSeqCol as DG.Column<string>;
79
78
  return;
80
79
  }
81
- prevSeqCol = valueCol;
80
+ prevSeqCol = input.value;
82
81
  okBtn.disabled = false;
83
82
  performAlignment = await onColInputChange(
84
83
  colInput.value, table, pepseaInputRootStyles, kalignInputRootStyles,
85
84
  methodInput, clustersColInput, gapOpenInput, gapExtendInput, terminalGapInput,
86
85
  );
87
- }, {filter: (col: DG.Column) => col.semType === DG.SEMTYPE.MACROMOLECULE} as ColumnInputOptions
86
+ }, filter: (col: DG.Column) => col.semType === DG.SEMTYPE.MACROMOLECULE} as ColumnInputOptions
88
87
  ) as DG.InputBase<DG.Column<string>>;
89
88
  colInput.setTooltip('Sequences column to use for alignment');
90
- const clustersColInput = ui.columnInput('Clusters', table, options.clustersCol);
89
+ const clustersColInput = ui.input.column('Clusters', {table: table, value: options.clustersCol!});
91
90
  clustersColInput.nullable = true;
92
91
 
93
92
  const dlg = ui.dialog('MSA')
@@ -103,13 +103,13 @@ export async function runKalign(srcCol: DG.Column<string>, isAligned: boolean =
103
103
  }
104
104
 
105
105
  // units
106
- const srcUnits = srcCol.getTag(DG.TAGS.UNITS);
106
+ const srcUnits = srcCol.meta.units;
107
107
  //aligned
108
108
  const tgtAligned = ALIGNMENT.SEQ_MSA;
109
109
  //alphabet
110
110
  const srcAlphabet = srcCol.getTag(bioTAGS.alphabet);
111
111
 
112
- tgtCol.setTag(DG.TAGS.UNITS, srcUnits);
112
+ tgtCol.meta.units = srcUnits;
113
113
  tgtCol.setTag(bioTAGS.aligned, tgtAligned);
114
114
  tgtCol.setTag(bioTAGS.alphabet, srcAlphabet);
115
115
  tgtCol.semType = DG.SEMTYPE.MACROMOLECULE;
@@ -91,7 +91,7 @@ export async function runPepsea(srcCol: DG.Column<string>, unUsedName: string,
91
91
  }
92
92
 
93
93
  const alignedSequencesCol: DG.Column<string> = DG.Column.fromStrings(unUsedName, alignedSequences);
94
- alignedSequencesCol.setTag(DG.TAGS.UNITS, NOTATION.SEPARATOR);
94
+ alignedSequencesCol.meta.units = NOTATION.SEPARATOR;
95
95
  alignedSequencesCol.setTag(bioTAGS.separator, C.PEPSEA.SEPARATOR);
96
96
  alignedSequencesCol.setTag(bioTAGS.aligned, ALIGNMENT.SEQ_MSA);
97
97
  alignedSequencesCol.setTag(bioTAGS.alphabet, ALPHABET.UN);
@@ -20,8 +20,8 @@ export function saveAsFastaUI() {
20
20
  .find((gcol: DG.GridColumn) => gcol.name.toLowerCase().indexOf('id') !== -1);
21
21
  const idDefaultValue = defaultIdGCol ? [defaultIdGCol.name] : [];
22
22
 
23
- const idGColListInput = ui.multiChoiceInput('Seq id columns', idDefaultValue,
24
- idGColList.map((gcol: DG.GridColumn) => gcol.name));
23
+ const idGColListInput = ui.input.multiChoice('Seq id columns', {value: idDefaultValue,
24
+ items: idGColList.map((gcol: DG.GridColumn) => gcol.name)});
25
25
 
26
26
  const seqGColList: DG.GridColumn[] = wu.count(0).take(grid.columns.length)/* range rom 0 to grid.columns.length */
27
27
  .map((colI: number) => grid.columns.byIndex(colI)!)
@@ -35,10 +35,10 @@ export function saveAsFastaUI() {
35
35
  }).toArray();
36
36
 
37
37
  const seqDefaultValue = seqGColList.length > 0 ? seqGColList[0].name : [];
38
- const seqColInput = ui.choiceInput('Seq column', seqDefaultValue,
39
- seqGColList.map((gCol: DG.GridColumn) => gCol.name));
38
+ const seqColInput = ui.input.choice('Seq column', {value: seqDefaultValue,
39
+ items: seqGColList.map((gCol: DG.GridColumn) => gCol.name)});
40
40
 
41
- const lineWidthInput = ui.intInput('FASTA line width', FASTA_LINE_WIDTH);
41
+ const lineWidthInput = ui.input.int('FASTA line width', {value: FASTA_LINE_WIDTH});
42
42
 
43
43
  ui.dialog({title: 'Save as FASTA'})
44
44
  .add(ui.inputs([
@@ -392,8 +392,8 @@ export class VdRegionsViewer extends DG.JsViewer implements IVdRegionsViewer {
392
392
  // this.mainLayout.style.height = '100%';
393
393
  // this.mainLayout.style.border = '1px solid black';
394
394
 
395
- this.filterSourceInput = ui.choiceInput<FilterSources>('Data source', this.filterSource,
396
- Object.values(FilterSources), this.filterSourceInputOnValueChanged.bind(this));
395
+ this.filterSourceInput = ui.input.choice<FilterSources>('Data source', {value: this.filterSource,
396
+ items: Object.values(FilterSources), onValueChanged: this.filterSourceInputOnValueChanged.bind(this)});
397
397
  this.filterSourceInput.root.style.position = 'absolute';
398
398
  this.filterSourceInput.root.style.right = '9px';
399
399
  this.filterSourceInput.root.style.top = '-4px';
@@ -128,7 +128,7 @@ export class BioSubstructureFilter extends DG.Filter implements IRenderer {
128
128
  }
129
129
  const sh = SeqHandler.forColumn(this.column!);
130
130
  this.columnName ??= this.column?.name;
131
- this.notation ??= this.column?.getTag(DG.TAGS.UNITS);
131
+ this.notation ??= this.column?.meta.units!;
132
132
 
133
133
  this.bioFilter = this.notation === NOTATION.FASTA ?
134
134
  new FastaBioFilter() : this.notation === NOTATION.SEPARATOR ?
@@ -296,10 +296,10 @@ export class FastaBioFilter extends BioFilterBase<BioFilterProps> {
296
296
  constructor() {
297
297
  super();
298
298
 
299
- this.substructureInput = ui.stringInput('', '', () => {
299
+ this.substructureInput = ui.input.string('', {value: '', onValueChanged: () => {
300
300
  this.props = new BioFilterProps(this.substructureInput.value);
301
301
  if (!this._propsChanging) this.onChanged.next();
302
- }, {placeholder: 'Substructure'});
302
+ }, placeholder: 'Substructure'});
303
303
  }
304
304
 
305
305
  public applyProps() {
@@ -336,15 +336,15 @@ export class SeparatorBioFilter extends BioFilterBase<SeparatorFilterProps> {
336
336
  constructor(colSeparator: string) {
337
337
  super();
338
338
 
339
- this.substructureInput = ui.stringInput('', '', () => {
339
+ this.substructureInput = ui.input.string('', {value: '', onValueChanged: () => {
340
340
  this.props = new SeparatorFilterProps(this.substructureInput.value, this.props.separator);
341
341
  if (!this._propsChanging) this.onChanged.next();
342
- }, {placeholder: 'Substructure'});
343
- this.separatorInput = ui.stringInput('', this.colSeparator = colSeparator, () => {
342
+ }, placeholder: 'Substructure'});
343
+ this.separatorInput = ui.input.string('', {value: this.colSeparator = colSeparator, onValueChanged: () => {
344
344
  const separator: string | undefined = !!this.separatorInput.value ? this.separatorInput.value : undefined;
345
345
  this.props = new SeparatorFilterProps(this.props.substructure, separator);
346
346
  if (!this._propsChanging) this.onChanged.next();
347
- }, {placeholder: 'Separator'});
347
+ }, placeholder: 'Separator'});
348
348
  }
349
349
 
350
350
  applyProps(): void {
@@ -1,10 +1,9 @@
1
1
  import * as ui from 'datagrok-api/ui';
2
2
  import * as DG from 'datagrok-api/dg';
3
3
 
4
- import {MonomerWidthMode} from '../utils/cell-renderer-consts';
5
-
6
4
  import {_package} from '../package';
7
5
 
6
+
8
7
  export class PackageSettingsEditorWidget extends DG.Widget {
9
8
  maxMonomerLengthProp: DG.Property;
10
9
  tooltipWebLogo: DG.Property;
@@ -22,34 +21,35 @@ export class PackageSettingsEditorWidget extends DG.Widget {
22
21
  }
23
22
 
24
23
  async init(): Promise<void> {
25
- const monomerWidthModeInput = ui.choiceInput('Monomer width mode',
26
- _package.properties.MonomerWidthMode,
27
- [MonomerWidthMode.short, MonomerWidthMode.long],
28
- (value: MonomerWidthMode) => {
29
- _package.properties.MonomerWidthMode = value;
30
- });
31
-
32
- const maxMonomerLengthInput = ui.intInput('Max monomer length',
33
- _package.properties.MaxMonomerLength,
34
- (value: number) => {
24
+ const maxMonomerLengthInput = ui.input.int('Max Monomer Length', {
25
+ value: _package.properties.maxMonomerLength!,
26
+ nullable: true, min: 0,
27
+ onValueChanged: () => {
35
28
  // Handle user changed value
36
- _package.properties.MaxMonomerLength = value;
37
- });
38
-
39
- const tooltipWebLogoInput = ui.boolInput('Tooltip WebLogo',
40
- _package.properties.TooltipWebLogo,
41
- (value: boolean) => {
42
- _package.properties.TooltipWebLogo = value;
43
- });
44
-
45
- const defaultSeparatorInput = ui.choiceInput('Default Separator',
46
- _package.properties.DefaultSeparator, ['.', '/', '-'],
47
- (value: string) => {
48
- _package.properties.DefaultSeparator = value;
49
- });
29
+ _package.properties.maxMonomerLength = maxMonomerLengthInput.value ?? null;
30
+ },
31
+ tooltipText: this.maxMonomerLengthProp.description,
32
+ });
33
+
34
+ const tooltipWebLogoInput = ui.input.bool('Tooltip WebLogo', {
35
+ value: _package.properties.tooltipWebLogo,
36
+ nullable: false,
37
+ onValueChanged: () => {
38
+ _package.properties.tooltipWebLogo = tooltipWebLogoInput.value!;
39
+ },
40
+ tooltipText: this.tooltipWebLogo.description,
41
+ });
42
+
43
+ const defaultSeparatorInput = ui.input.choice('Default Separator', {
44
+ value: _package.properties.defaultSeparator,
45
+ items: ['.', '/', '-'],
46
+ onValueChanged: () => {
47
+ _package.properties.defaultSeparator = defaultSeparatorInput.value!;
48
+ },
49
+ tooltipText: this.defaultSeparator.description,
50
+ });
50
51
 
51
52
  this.root.appendChild(ui.form([
52
- monomerWidthModeInput,
53
53
  maxMonomerLengthInput,
54
54
  tooltipWebLogoInput,
55
55
  defaultSeparatorInput,
@@ -6,11 +6,11 @@ import {getMolfilesFromSingleSeq} from '@datagrok-libraries/bio/src/monomer-work
6
6
  import {TAGS as mmcrTAGS} from '@datagrok-libraries/bio/src/utils/cell-renderer';
7
7
 
8
8
  import {
9
- Tags as mmcrTags, Temps as mmcrTemps, MonomerWidthMode,
10
- tempTAGS, rendererSettingsChangedState
9
+ Temps as mmcrTemps, rendererSettingsChangedState, Temps
11
10
  } from '../utils/cell-renderer-consts';
12
11
 
13
12
  import {_package} from '../package';
13
+ import {max} from 'rxjs/operators';
14
14
 
15
15
 
16
16
  /**
@@ -25,81 +25,77 @@ export function getMacromoleculeColumnPropertyPanel(col: DG.Column): DG.Widget {
25
25
  const columnsSet = new Set(columnsList);
26
26
  columnsSet.delete(col.name);
27
27
 
28
- const monomerWidthModeInput = ui.input.choice('Monomer width', {
29
- value: (col?.temp[tempTAGS.monomerWidthMode] != null) ? col.temp[tempTAGS.monomerWidthMode] :
30
- (_package.properties?.MonomerWidthMode ?? MonomerWidthMode.short),
31
- items: [MonomerWidthMode.short, MonomerWidthMode.long],
28
+ let maxMonomerLength: number | null = (_package.properties ? _package.properties.maxMonomerLength : 4);
29
+ if (mmcrTAGS.maxMonomerLength in col.tags) {
30
+ const v = parseInt(col.getTag(mmcrTAGS.maxMonomerLength));
31
+ maxMonomerLength = !isNaN(v) ? v : maxMonomerLength;
32
+ }
33
+ if (Temps.maxMonomerLength in col.temp) {
34
+ const v = parseInt(col.temp[Temps.maxMonomerLength]);
35
+ maxMonomerLength = !isNaN(v) ? v : maxMonomerLength;
36
+ }
37
+ const maxMonomerLengthInput = ui.input.int('Max Monomer Length', {
38
+ value: maxMonomerLength!,
39
+ nullable: true, min: 1, max: 50, step: 1,
32
40
  onValueChanged: () => {
33
- const s = monomerWidthModeInput.value;
34
- col.temp[tempTAGS.monomerWidthMode] = s;
35
- col.setTag(mmcrTags.RendererSettingsChanged, rendererSettingsChangedState.true);
36
- col.dataFrame.fireValuesChanged();
37
-
38
- maxMonomerLengthInput.enabled = monomerWidthModeInput.value === MonomerWidthMode.short;
41
+ if (maxMonomerLengthInput.value == 0)
42
+ setTimeout(() => { maxMonomerLengthInput.value = null!; }, 0);
43
+ else {
44
+ const value = maxMonomerLengthInput.value ?? '';
45
+ const tagValue = value == null ? '' : value.toString();
46
+ col.temp[Temps.maxMonomerLength] = tagValue;
47
+ col.temp[Temps.rendererSettingsChanged] = rendererSettingsChangedState.true;
48
+ col.dataFrame.fireValuesChanged();
49
+ }
39
50
  },
51
+ tooltipText: `The max length of monomer symbol displayed without shortening, empty to no limit`
40
52
  });
41
- monomerWidthModeInput.setTooltip(
42
- `In short mode, only the 'Max monomer length' characters are displayed, followed by .. if there are more`);
43
-
44
- const tagMaxMonomerLength: number = parseInt(col.getTag(mmcrTAGS.maxMonomerLength));
45
- const maxMonomerLengthInput = ui.input.slider('Max monomer length', {
46
- value: !isNaN(tagMaxMonomerLength) ? tagMaxMonomerLength :
47
- (_package.properties?.MaxMonomerLength ?? 4),
48
- min: 1, max: 16, step: 1,
53
+
54
+ const gapLengthInput = ui.input.int('Monomer Margin', {
55
+ value: col.temp[mmcrTemps.gapLength] ?? 0,
49
56
  onValueChanged: () => {
50
- const value = maxMonomerLengthInput.value;
51
- maxMonomerLengthValueDiv.innerText = maxMonomerLengthInput.stringValue;
52
- col.setTag(mmcrTAGS.maxMonomerLength, value.toString());
53
- col.setTag(mmcrTags.RendererSettingsChanged, rendererSettingsChangedState.true);
57
+ col.temp[mmcrTemps.gapLength] = gapLengthInput.value;
58
+ col.temp[mmcrTemps.rendererSettingsChanged] = rendererSettingsChangedState.true;
54
59
  col.dataFrame.fireValuesChanged();
55
60
  },
61
+ tooltipText: 'The size of margin between monomers (in pixels)'
56
62
  });
57
- const maxMonomerLengthValueDiv = ui.divText(maxMonomerLengthInput.stringValue, 'ui-input-description');
58
- maxMonomerLengthInput.addOptions(maxMonomerLengthValueDiv);
59
- maxMonomerLengthInput.setTooltip(
60
- `The max length of monomer name displayed without shortening ` +
61
- ` in '${MonomerWidthMode.short}' monomer width mode.`);
62
- maxMonomerLengthInput.enabled = monomerWidthModeInput.value === MonomerWidthMode.short;
63
-
64
- const gapLengthInput = ui.intInput('Monomer margin', col.temp[mmcrTemps.gapLength] ?? 0,
65
- (value: number) => {
66
- col.temp[mmcrTemps.gapLength] = value;
67
- col.setTag(mmcrTags.RendererSettingsChanged, rendererSettingsChangedState.true);
68
- col.dataFrame.fireValuesChanged();
69
- });
70
- gapLengthInput.setTooltip('The size of margin between monomers (in pixels)');
71
63
 
72
- const colorCode = ui.boolInput('Color code',
73
- (col?.temp['color-code'] != null) ? col.temp['color-code'] : true,
74
- (v: boolean) => {
75
- col.temp['color-code'] = v;
64
+ const colorCodeInput = ui.input.bool('Color Code', {
65
+ value: (col?.temp['color-code'] != null) ? col.temp['color-code'] : true,
66
+ onValueChanged: () => {
67
+ col.temp['color-code'] = colorCodeInput.value;
76
68
  col.dataFrame.fireValuesChanged();
77
- });
78
- colorCode.setTooltip('Color code');
69
+ },
70
+ tooltipText: 'Color code'
71
+ });
79
72
 
80
- const referenceSequence = ui.stringInput('Reference sequence',
81
- (col?.temp['reference-sequence'] != null) ? col?.temp['reference-sequence'] : '', (v: string) => {
82
- col.temp['reference-sequence'] = v;
73
+ const referenceSequenceInput = ui.input.string('Reference Sequence', {
74
+ value: (col?.temp['reference-sequence'] != null) ? col?.temp['reference-sequence'] : '',
75
+ nullable: true,
76
+ onValueChanged: () => {
77
+ col.temp['reference-sequence'] = referenceSequenceInput.value;
83
78
  col.dataFrame.fireValuesChanged();
84
- });
85
- referenceSequence.setTooltip('Reference sequence is not empty, then the sequence will be render ' + '\n' +
86
- 'as a difference from the reference sequence');
87
-
88
- const compareWithCurrent = ui.boolInput('Compare with current',
89
- (col?.temp['compare-with-current'] != null) ? col.temp['compare-with-current'] : true,
90
- (v: boolean) => {
91
- col.temp['compare-with-current'] = v;
79
+ },
80
+ tooltipText: 'Reference sequence is not empty, then the sequence will be render ' + '\n' +
81
+ 'as a difference from the reference sequence'
82
+ });
83
+
84
+ const compareWithCurrentInput = ui.input.bool('Compare with current', {
85
+ value: (col?.temp['compare-with-current'] != null) ? col.temp['compare-with-current'] : true,
86
+ onValueChanged: () => {
87
+ col.temp['compare-with-current'] = compareWithCurrentInput.value;
92
88
  col.dataFrame.fireValuesChanged();
93
- });
94
- compareWithCurrent.setTooltip('When on, all sequences get rendered in the "diff" mode');
89
+ },
90
+ tooltipText: 'When on, all sequences get rendered in the "diff" mode'
91
+ });
95
92
 
96
93
  const rdKitInputs = ui.inputs([
97
- monomerWidthModeInput,
98
94
  maxMonomerLengthInput,
99
95
  gapLengthInput,
100
- referenceSequence,
101
- colorCode,
102
- compareWithCurrent,
96
+ referenceSequenceInput,
97
+ colorCodeInput,
98
+ compareWithCurrentInput,
103
99
  ]);
104
100
 
105
101
  return new DG.Widget(rdKitInputs);
package/tsconfig.json CHANGED
@@ -4,9 +4,9 @@
4
4
 
5
5
  /* Basic Options */
6
6
  // "incremental": true, /* Enable incremental compilation */
7
- "target": "es2020", /* Specify ECMAScript target version: 'ES3' (default), 'ES5', 'ES2015', 'ES2016', 'ES2017', 'ES2018', 'ES2019', 'ES2020', or 'ESNEXT'. */
8
- "module": "es2020", /* Specify module code generation: 'none', 'commonjs', 'amd', 'system', 'umd', 'es2015', 'es2020', or 'ESNext'. */
9
- "lib": ["ES2022", "ES2022.String", "dom"], /* Specify library files to be included in the compilation. */
7
+ "target": "ES2022", /* Specify ECMAScript target version: 'ES3' (default), 'ES5', 'ES2015', 'ES2016', 'ES2017', 'ES2018', 'ES2019', 'ES2020', or 'ESNEXT'. */
8
+ "module": "ES2022", /* Specify module code generation: 'none', 'commonjs', 'amd', 'system', 'umd', 'es2015', 'es2020', or 'ESNext'. */
9
+ "lib": ["ES2022", "ES2022.String", "DOM"], /* Specify library files to be included in the compilation. */
10
10
  // "allowJs": true, /* Allow javascript files to be compiled. */
11
11
  // "checkJs": true, /* Report errors in .js files. */
12
12
  // "jsx": "preserve", /* Specify JSX code generation: 'preserve', 'react-native', 'react', 'react-jsx' or 'react-jsxdev'. */
@@ -65,7 +65,7 @@
65
65
  "emitDecoratorMetadata": true, /* Enables experimental support for emitting type metadata for decorators. */
66
66
  "typeRoots": ["./node_modules/@webgpu/types", "./node_modules/@types"],
67
67
  /* Advanced Options */
68
- "skipLibCheck": false, /* Skip type checking of declaration files. */
68
+ "skipLibCheck": true, /* Skip type checking of declaration files. */
69
69
  "forceConsistentCasingInFileNames": true, /* Disallow inconsistently-cased references to the same file. */
70
70
  //"jsx": "react"
71
71
  }
package/webpack.config.js CHANGED
@@ -31,7 +31,7 @@ module.exports = {
31
31
  plugins: [
32
32
  new FuncGeneratorPlugin({outputPath: './src/package.g.ts'}),
33
33
  ],
34
- devtool: mode !== 'production' ? 'inline-source-map' : 'source-map',
34
+ devtool: 'source-map',
35
35
  externals: {
36
36
  'datagrok-api/dg': 'DG',
37
37
  'datagrok-api/grok': 'grok',
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function insertSmaller(distancesAr, indexes, num, index) {\n if (num > distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num < v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function insertLarger(distancesAr, indexes, num, index) {\n if (num < distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num > v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function getAggregationFunction(aggregationMethod, weights) {\n switch (aggregationMethod) {\n case DistanceAggregationMethods.MANHATTAN:\n return (vs) => vs.reduce((acc, val, idx) => acc + val * weights[idx], 0);\n default:\n return (vs) => {\n // euclidean\n const sum = vs.reduce((acc, val, idx) => acc + (val * weights[idx]) ** 2, 0);\n return Math.sqrt(sum);\n };\n }\n}\n//# 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{ getAggregationFunction, 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, fnNames, opts, aggregationMethod, weights } = 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 const aggregate = getAggregationFunction(aggregationMethod, weights);\n values.forEach((v, colIdx) => {\n if (isBitArrayMetric(fnNames[colIdx])) {\n for (let i = 0; i < v.length; ++i) {\n if (isNil(v[i]))\n continue;\n values[colIdx][i] = new BitArray(values[colIdx][i]._data, values[colIdx][i]._length);\n }\n }\n });\n let cnt = 0;\n const distanceFns = new Array(fnNames.length).fill(null).map((_, i) => new Measure(fnNames[i]).getMeasure(opts[i]));\n const startRow = values[0].length - 2 - Math.floor(Math.sqrt(-8 * startIdx + 4 * values[0].length * (values[0].length - 1) - 7) / 2 - 0.5);\n const startCol = startIdx - values[0].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 distanceValues = distanceFns.map((fn, idx) => !isNil(values[idx][mi]) && !isNil(values[idx][mj]) ?\n fn(values[idx][mi], values[idx][mj]) : 1);\n const value = distanceValues.length === 1 ? distanceValues[0] : aggregate(distanceValues);\n if (1 - value >= threshold) {\n i.push(mi);\n j.push(mj);\n distances.push(value);\n }\n cnt++;\n mj++;\n if (mj === values[0].length) {\n mi++;\n mj = mi + 1;\n }\n }\n const iArray = new Int32Array(i);\n const jArray = new Int32Array(j);\n const distanceArray = new Float32Array(distances);\n 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