@datagrok/bio 2.23.2 → 2.24.0

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Files changed (48) hide show
  1. package/.eslintrc.json +0 -2
  2. package/CHANGELOG.md +5 -0
  3. package/README.md +1 -1
  4. package/dist/package-test.js +3 -3
  5. package/dist/package-test.js.map +1 -1
  6. package/dist/package.js +2 -2
  7. package/dist/package.js.map +1 -1
  8. package/package.json +2 -2
  9. package/src/package-types.ts +1 -1
  10. package/src/package.ts +9 -3
  11. package/src/tests/activity-cliffs-tests.ts +2 -2
  12. package/src/tests/monomer-libraries-tests.ts +8 -6
  13. package/src/tests/renderers-monomer-placer-tests.ts +1 -1
  14. package/src/tests/scoring.ts +1 -1
  15. package/src/tests/seq-handler-get-helm-tests.ts +1 -1
  16. package/src/tests/splitters-test.ts +2 -2
  17. package/src/tests/substructure-filters-tests.ts +11 -11
  18. package/src/tests/to-atomic-level-tests.ts +2 -2
  19. package/src/tests/to-atomic-level-ui-tests.ts +13 -14
  20. package/src/utils/cell-renderer.ts +1 -1
  21. package/src/utils/helm-to-molfile/converter/converter.ts +1 -1
  22. package/src/utils/helm-to-molfile/converter/mol-bonds.ts +1 -1
  23. package/src/utils/helm-to-molfile/converter/monomer-wrapper.ts +1 -1
  24. package/src/utils/helm-to-molfile/converter/polymer.ts +1 -1
  25. package/src/utils/helm-to-molfile/utils.ts +3 -2
  26. package/src/utils/monomer-cell-renderer-base.ts +1 -2
  27. package/src/utils/monomer-lib/consts.ts +1 -6
  28. package/src/utils/monomer-lib/lib-manager.ts +239 -112
  29. package/src/utils/monomer-lib/library-file-manager/monomers-lib-provider.ts +378 -0
  30. package/src/utils/monomer-lib/library-file-manager/ui.ts +119 -80
  31. package/src/utils/monomer-lib/monomer-colors.ts +37 -39
  32. package/src/utils/monomer-lib/monomer-lib-base.ts +3 -4
  33. package/src/utils/monomer-lib/monomer-lib.ts +7 -7
  34. package/src/utils/monomer-lib/monomer-manager/duplicate-monomer-manager.ts +3 -3
  35. package/src/utils/monomer-lib/monomer-manager/monomer-manager.ts +90 -81
  36. package/src/utils/monomer-lib/web-editor-monomer-of-library.ts +2 -1
  37. package/src/utils/seq-helper/seq-handler.ts +16 -3
  38. package/src/utils/seq-helper/seq-helper.ts +1 -2
  39. package/src/utils/sequence-to-mol.ts +1 -1
  40. package/src/viewers/web-logo-viewer.ts +1 -1
  41. package/src/widgets/composition-analysis-widget.ts +1 -1
  42. package/src/widgets/sequence-scrolling-widget.ts +1 -2
  43. package/test-console-output-1.log +672 -720
  44. package/test-record-1.mp4 +0 -0
  45. package/src/utils/monomer-lib/library-file-manager/custom-monomer-lib-handlers.ts +0 -41
  46. package/src/utils/monomer-lib/library-file-manager/event-manager.ts +0 -93
  47. package/src/utils/monomer-lib/library-file-manager/file-manager.ts +0 -317
  48. package/src/utils/monomer-lib/monomer-set.ts +0 -61
package/package.json CHANGED
@@ -5,7 +5,7 @@
5
5
  "name": "Davit Rizhinashvili",
6
6
  "email": "drizhinashvili@datagrok.ai"
7
7
  },
8
- "version": "2.23.2",
8
+ "version": "2.24.0",
9
9
  "description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
10
10
  "repository": {
11
11
  "type": "git",
@@ -44,7 +44,7 @@
44
44
  ],
45
45
  "dependencies": {
46
46
  "@biowasm/aioli": "^3.1.0",
47
- "@datagrok-libraries/bio": "^5.55.1",
47
+ "@datagrok-libraries/bio": "^5.60.0",
48
48
  "@datagrok-libraries/chem-meta": "^1.2.9",
49
49
  "@datagrok-libraries/math": "^1.2.6",
50
50
  "@datagrok-libraries/ml": "^6.10.6",
@@ -8,7 +8,7 @@ import {errInfo} from '@datagrok-libraries/bio/src/utils/err-info';
8
8
  import {LoggerWrapper} from '@datagrok-libraries/bio/src/utils/logger';
9
9
  import {RDModule} from '@datagrok-libraries/chem-meta/src/rdkit-api';
10
10
  import {ISeqHelper} from '@datagrok-libraries/bio/src/utils/seq-helper';
11
- import {IMonomerLib, IMonomerLibBase, IMonomerSet} from '@datagrok-libraries/bio/src/types';
11
+ import {IMonomerLib, IMonomerLibBase, IMonomerSet} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
 
13
13
  /** Names of package properties/settings declared in properties section of {@link './package.json'} */
14
14
  export const enum BioPackagePropertiesNames {
package/src/package.ts CHANGED
@@ -13,11 +13,11 @@ import {getActivityCliffs} from '@datagrok-libraries/ml/src/viewers/activity-cli
13
13
  import {MmDistanceFunctionsNames} from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
14
14
  import {BitArrayMetrics, KnownMetrics} from '@datagrok-libraries/ml/src/typed-metrics';
15
15
  import {ALPHABET, NOTATION, TAGS as bioTAGS} from '@datagrok-libraries/bio/src/utils/macromolecule';
16
- import {IMonomerLib} from '@datagrok-libraries/bio/src/types';
16
+ import {IMonomerLib, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
17
17
  import {SeqPalette} from '@datagrok-libraries/bio/src/seq-palettes';
18
18
  import {FastaFileHandler} from '@datagrok-libraries/bio/src/utils/fasta-handler';
19
19
  import {SCORE} from '@datagrok-libraries/bio/src/utils/macromolecule/scoring';
20
- import {createJsonMonomerLibFromSdf, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
20
+ import {createJsonMonomerLibFromSdf,} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
21
21
  import {errInfo} from '@datagrok-libraries/bio/src/utils/err-info';
22
22
  import {ActivityCliffsEditor} from '@datagrok-libraries/ml/src/functionEditors/activity-cliffs-function-editor';
23
23
  import BitArray from '@datagrok-libraries/utils/src/bit-array';
@@ -78,6 +78,7 @@ import {molecular3DStructureWidget, toAtomicLevelWidget} from './widgets/to-atom
78
78
  import {handleSequenceHeaderRendering} from './widgets/sequence-scrolling-widget';
79
79
  import {PolymerType} from '@datagrok-libraries/js-draw-lite/src/types/org';
80
80
  import {BilnNotationProvider} from './utils/biln';
81
+ import {MonomerLibFromFilesProvider} from './utils/monomer-lib/library-file-manager/monomers-lib-provider';
81
82
  export const _package = new BioPackage(/*{debug: true}/**/);
82
83
  export * from './package.g';
83
84
 
@@ -1056,9 +1057,14 @@ export class PackageFunctions {
1056
1057
  return await showManageLibrariesView(false);
1057
1058
  }
1058
1059
 
1060
+ // @grok.decorators.func({tags: ['monomer-lib-provider'], result: {type: 'object', name: 'result'}})
1061
+ // static async getMonomerLibFileProvider(): Promise<MonomerLibFromFilesProvider> {
1062
+ // return
1063
+ // }
1064
+
1059
1065
  @grok.decorators.func({name: 'Monomer Manager Tree Browser', meta: {role: 'appTreeBrowser'}})
1060
1066
  static async manageMonomerLibrariesViewTreeBrowser(treeNode: DG.TreeViewGroup) {
1061
- const libraries = (await (await MonomerLibManager.getInstance()).getFileManager()).getValidLibraryPaths();
1067
+ const libraries = (await (await MonomerLibManager.getInstance()).getAvaliableLibraryNames());
1062
1068
  libraries.forEach((libName) => {
1063
1069
  const nodeName = libName.endsWith('.json') ? libName.substring(0, libName.length - 5) : libName;
1064
1070
  const libNode = treeNode.item(nodeName);
@@ -8,7 +8,7 @@ import {_testActivityCliffsOpen} from './activity-cliffs-utils';
8
8
 
9
9
  import {MmDistanceFunctionsNames} from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
10
10
  import {BitArrayMetricsNames} from '@datagrok-libraries/ml/src/typed-metrics';
11
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
11
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
  import {
13
13
  getUserLibSettings, setUserLibSettings
14
14
  } from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
@@ -67,7 +67,7 @@ category('activityCliffs', async () => {
67
67
  if (helmPackInstalled) {
68
68
  const df = await _package.files.readCsv('samples/HELM_50.csv');
69
69
  const _view = grok.shell.addTableView(df);
70
-
70
+
71
71
  await _testActivityCliffsOpen(df, DimReductionMethods.UMAP,
72
72
  'HELM', 'Activity', 65, 20, BitArrayMetricsNames.Tanimoto, helmEncodingFunc);
73
73
  }
@@ -3,13 +3,13 @@ import * as DG from 'datagrok-api/dg';
3
3
  import * as ui from 'datagrok-api/ui';
4
4
 
5
5
  import {test, after, before, category, expect, expectObject} from '@datagrok-libraries/utils/src/test';
6
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
6
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
7
7
  import {
8
8
  getUserLibSettings, setUserLibSettings
9
9
  } from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
10
10
  import {expectMonomerLib} from '@datagrok-libraries/bio/src/tests/monomer-lib-tests';
11
11
  import {MonomerTypes, PolymerTypes} from '@datagrok-libraries/bio/src/helm/consts';
12
- import {Monomer} from '@datagrok-libraries/bio/src/types/index';
12
+ import {Monomer} from '@datagrok-libraries/bio/src/types/monomer-library';
13
13
 
14
14
  import {monomerLibForTestsSummary} from '../utils/monomer-lib/consts';
15
15
 
@@ -50,11 +50,13 @@ category('monomerLibraries', () => {
50
50
  test('empty', async () => {
51
51
  // exclude all monomer libraries for empty set
52
52
  const libSettings = await getUserLibSettings();
53
- const libFileManager = await monomerLibHelper.getFileManager();
54
53
 
55
- let libFnList = libFileManager.getValidLibraryPaths();
56
- if (libFnList.length === 0)
57
- libFnList = await libFileManager.getValidLibraryPathsAsynchronously();
54
+
55
+ let libFnList = await monomerLibHelper.getAvaliableLibraryNames();
56
+ if (libFnList.length === 0) {
57
+ await monomerLibHelper.refreshValidLibraryLists();
58
+ libFnList = await monomerLibHelper.getAvaliableLibraryNames();
59
+ }
58
60
 
59
61
  libSettings.exclude = libFnList;
60
62
  libSettings.explicit = [];
@@ -8,7 +8,7 @@ import wu from 'wu';
8
8
  import {after, before, category, expect, expectArray, test} from '@datagrok-libraries/utils/src/test';
9
9
  import {MonomerPlacer, hitBounds} from '@datagrok-libraries/bio/src/utils/cell-renderer-monomer-placer';
10
10
  import {monomerToShort} from '@datagrok-libraries/bio/src/utils/macromolecule';
11
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
11
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
  import {
13
13
  getUserLibSettings, setUserLibSettings
14
14
  } from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
@@ -6,7 +6,7 @@ import wu from 'wu';
6
6
 
7
7
  import {category, test, expectFloat, before, after, expect} from '@datagrok-libraries/utils/src/test';
8
8
  import {NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule';
9
- import {IMonomerLibHelper, getMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
9
+ import {IMonomerLibHelper, getMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
10
10
 
11
11
  import {
12
12
  getUserLibSettings, setUserLibSettings
@@ -5,7 +5,7 @@ import * as DG from 'datagrok-api/dg';
5
5
  import {after, before, category, expect, test} from '@datagrok-libraries/utils/src/test';
6
6
  import {ISeqHelper, getSeqHelper} from '@datagrok-libraries/bio/src/utils/seq-helper';
7
7
  import {NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule';
8
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
8
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
9
9
  import {getUserLibSettings, setUserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
10
10
  import {UserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/types';
11
11
 
@@ -8,9 +8,9 @@ import {after, before, category, test, expect, expectArray} from '@datagrok-libr
8
8
  import {TAGS as bioTAGS, splitterAsFasta} from '@datagrok-libraries/bio/src/utils/macromolecule';
9
9
  import {splitterAsHelm} from '@datagrok-libraries/bio/src/utils/macromolecule/utils';
10
10
  import {ISeqSplitted} from '@datagrok-libraries/bio/src/utils/macromolecule/types';
11
- import {IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
11
+ import {IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
  import {UserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/types';
13
- import {getMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
13
+ import {getMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
14
14
  import {ISeqHelper, getSeqHelper} from '@datagrok-libraries/bio/src/utils/seq-helper';
15
15
 
16
16
  import {splitToMonomersUI} from '../utils/split-to-monomers';
@@ -8,7 +8,7 @@ import $ from 'cash-dom';
8
8
  import wu from 'wu';
9
9
 
10
10
  import {after, before, category, test, expect, delay, testEvent, awaitCheck} from '@datagrok-libraries/utils/src/test';
11
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
11
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
  import {
13
13
  getUserLibSettings, setUserLibSettings
14
14
  } from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
@@ -159,7 +159,7 @@ category('bio-substructure-filters', async () => {
159
159
  const view = grok.shell.addTableView(df);
160
160
  await grok.data.detectSemanticTypes(df);
161
161
  await df.meta.detectSemanticTypes();
162
-
162
+
163
163
  _package.logger.debug(`${logPrefix}, filter attaching.`);
164
164
  const filter = new BioSubstructureFilter(seqHelper, _package.logger);
165
165
  filter.attach(df);
@@ -168,7 +168,7 @@ category('bio-substructure-filters', async () => {
168
168
  try {
169
169
  const bf = filter.bioFilter as HelmBioFilter;
170
170
  expect(filter.bioFilter !== null, true, 'bioFilter is not created');
171
-
171
+
172
172
  // filter 1
173
173
  _package.logger.debug(`${logPrefix}, filter 1 change awaiting...`);
174
174
  await testEvent(df.onRowsFiltered, () => {}, () => {
@@ -177,7 +177,7 @@ category('bio-substructure-filters', async () => {
177
177
  _package.logger.debug(`${logPrefix}, filter 1 changed.`);
178
178
  expect(filter.dataFrame!.filter.trueCount, 1);
179
179
  expect(filter.dataFrame!.filter.toBinaryString(), '0001');
180
-
180
+
181
181
  // filter 2
182
182
  _package.logger.debug(`${logPrefix}, filter 2 change awaiting...`);
183
183
  await testEvent(df.onRowsFiltered, () => {}, () => {
@@ -206,9 +206,9 @@ category('bio-substructure-filters', async () => {
206
206
  const col = df.getCol('HELM string');
207
207
  await grok.data.detectSemanticTypes(df);
208
208
  const view = grok.shell.addTableView(df);
209
-
209
+
210
210
  const fg = view.getFiltersGroup();
211
-
211
+
212
212
  // await awaitCheck(() => fg.filters.length == 1, 'await filters.length == 1', 1000);
213
213
  // const filter = fg.filters.filter((f) => f.columnName == col.name)[0] as BioSubstructureFilter;
214
214
  await awaitGrid(view.grid);
@@ -287,10 +287,10 @@ category('bio-substructure-filters', async () => {
287
287
  const df = await _package.files.readCsv('tests/filter_HELM.csv');
288
288
  await grok.data.detectSemanticTypes(df);
289
289
  const view = grok.shell.addTableView(df);
290
-
290
+
291
291
  const fSubStr: string = 'PEPTIDE1{A.C}$$$$V2.0';
292
292
  const fTrueCount: number = 1;
293
-
293
+
294
294
  const f1 = await createFilter('HELM string', df);
295
295
  const f2 = await createFilter('HELM string', df);
296
296
  const dlg = ui.dialog('Test filters').add(f1.root).add(f2.root).show(); // to waitForElementInDom
@@ -302,18 +302,18 @@ category('bio-substructure-filters', async () => {
302
302
  expect(f2.bioFilter!.type, 'HelmBioFilter');
303
303
  const bf1 = f1.bioFilter as HelmBioFilter;
304
304
  const bf2 = f2.bioFilter as HelmBioFilter;
305
-
305
+
306
306
  await testEvent(df.onRowsFiltered, () => {}, () => {
307
307
  bf1.props = new BioFilterProps(fSubStr, undefined, _package.logger);
308
308
  }, 60000, 'await onRowsFiltered'); // wait to load monomers
309
309
  await awaitGrid(view.grid);
310
310
  //debugger;
311
-
311
+
312
312
  _package.logger.debug('Bio tests: substructureFilters/sync-helm, before changed event');
313
313
  await delay(f1.debounceTime * 2);
314
314
  _package.logger.debug('Bio tests: substructureFilters/sync-helm, after changed event');
315
315
  expect(df.filter.trueCount, fTrueCount);
316
-
316
+
317
317
  await f1.awaitRendered();
318
318
  expect(bf2.props.substructure, fSubStr);
319
319
  } finally {
@@ -8,9 +8,9 @@ import wu from 'wu';
8
8
  import {before, after, category, test, expectArray, expect} from '@datagrok-libraries/utils/src/test';
9
9
  import {RDModule} from '@datagrok-libraries/chem-meta/src/rdkit-api';
10
10
  import {_toAtomicLevel} from '@datagrok-libraries/bio/src/monomer-works/to-atomic-level';
11
- import {IMonomerLib} from '@datagrok-libraries/bio/src/types';
11
+ import {IMonomerLib} from '@datagrok-libraries/bio/src/types/monomer-library';
12
12
  import {ALPHABET, NOTATION, TAGS as bioTAGS} from '@datagrok-libraries/bio/src/utils/macromolecule';
13
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
13
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
14
14
  import {
15
15
  getUserLibSettings, setUserLibSettings
16
16
  } from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
@@ -2,9 +2,9 @@ import * as DG from 'datagrok-api/dg';
2
2
  import * as grok from 'datagrok-api/grok';
3
3
 
4
4
  import {after, before, category, expect, expectArray, test} from '@datagrok-libraries/utils/src/test';
5
- import {IMonomerLib} from '@datagrok-libraries/bio/src/types';
5
+ import {IMonomerLib} from '@datagrok-libraries/bio/src/types/monomer-library';
6
6
  import {sequenceToMolfile} from '../utils/sequence-to-mol';
7
- import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
7
+ import {getMonomerLibHelper, IMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
8
8
  import {getUserLibSettings, setUserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/lib-settings';
9
9
  import {UserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/types';
10
10
 
@@ -20,7 +20,6 @@ type TestDataType = {
20
20
  };
21
21
 
22
22
  category('toAtomicLevel-ui', () => {
23
-
24
23
  let monomerLibHelper: IMonomerLibHelper;
25
24
  let userLibSettings: UserLibSettings;
26
25
  let seqHelper: ISeqHelper;
@@ -64,16 +63,16 @@ category('toAtomicLevel-ui', () => {
64
63
  },
65
64
  };
66
65
 
67
- // const fastaCsv = `seq
68
- // MDYKETLLMPKTDFPMRGGLPNKEPQIQEKW
69
- // MIEVFLFGIVLGLIPITLAGLFVTAYLQYRRGDQLDL
70
- // MMELVLKTIIGPIVVGVVLRIVDKWLNKDK
71
- // `;
72
- // const helmCsv = `seq
73
- // PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Aze.dV.E.N.dV.Phe_4Me}$$$$
74
- // PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.meM.D-Chg.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$
75
- // PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Cit.N.D-Orn.D-aThr.Phe_4Me}$$$$
76
- // `;
66
+ // const fastaCsv = `seq
67
+ // MDYKETLLMPKTDFPMRGGLPNKEPQIQEKW
68
+ // MIEVFLFGIVLGLIPITLAGLFVTAYLQYRRGDQLDL
69
+ // MMELVLKTIIGPIVVGVVLRIVDKWLNKDK
70
+ // `;
71
+ // const helmCsv = `seq
72
+ // PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Aze.dV.E.N.dV.Phe_4Me}$$$$
73
+ // PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.meM.D-Chg.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$
74
+ // PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Cit.N.D-Orn.D-aThr.Phe_4Me}$$$$
75
+ // `;
77
76
 
78
77
  const getSeqCol = async (testData: TestDataType): Promise<DG.Column<string>> => {
79
78
  const seq = testData.src.seq;
@@ -98,7 +97,7 @@ category('toAtomicLevel-ui', () => {
98
97
  await _testToAtomicLevelFunc(seqCol, true, testData.tgt);
99
98
  });
100
99
  }
101
- }
100
+ }
102
101
 
103
102
  async function _testToAtomicLevelFunc(
104
103
  seqCol: DG.Column<string>, nonlinear: boolean, tgt: TestDataTargetType,
@@ -20,7 +20,7 @@ import {
20
20
  } from '@datagrok-libraries/bio/src/utils/macromolecule';
21
21
  import {ISeqHelper} from '@datagrok-libraries/bio/src/utils/seq-helper';
22
22
  import {getSplitter} from '@datagrok-libraries/bio/src/utils/macromolecule/utils';
23
- import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types';
23
+ import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types/monomer-library';
24
24
  import {GapOriginals} from '@datagrok-libraries/bio/src/utils/macromolecule/consts';
25
25
  import {execMonomerHoverLinks} from '@datagrok-libraries/bio/src/monomer-works/monomer-hover';
26
26
  import {CellRendererBackBase, getGridCellColTemp} from '@datagrok-libraries/bio/src/utils/cell-renderer-back-base';
@@ -4,7 +4,7 @@ import * as OCL from 'openchemlib/full';
4
4
 
5
5
  import {errInfo} from '@datagrok-libraries/bio/src/utils/err-info';
6
6
  import {RDModule, RDMol} from '@datagrok-libraries/chem-meta/src/rdkit-api';
7
- import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types/index';
7
+ import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types/monomer-library';
8
8
  import {IHelmHelper} from '@datagrok-libraries/bio/src/helm/helm-helper';
9
9
  import {MolfileWithMap, MonomerMap} from '@datagrok-libraries/bio/src/monomer-works/types';
10
10
 
@@ -4,7 +4,7 @@ export abstract class MolfileBonds {
4
4
  protected bondedAtomPairs: number[][] = [];
5
5
  protected rawBondLines: string[] = [];
6
6
 
7
- public get count(): number { return this.bondedAtomPairs.length;}
7
+ public get count(): number { return this.bondedAtomPairs.length; }
8
8
 
9
9
  /** Get bond lines with new values for bonded atoms */
10
10
  abstract getBondLines(): string[];
@@ -1,4 +1,4 @@
1
- import {IMonomerLib, IMonomerLibBase, Monomer} from '@datagrok-libraries/bio/src/types';
1
+ import {IMonomerLib, IMonomerLibBase, Monomer} from '@datagrok-libraries/bio/src/types/monomer-library';
2
2
  import {HELM_RGROUP_FIELDS} from '@datagrok-libraries/bio/src/utils/const';
3
3
  import {RDModule, RDMol} from '@datagrok-libraries/chem-meta/src/rdkit-api';
4
4
  import {MolfileHandler} from '@datagrok-libraries/chem-meta/src/parsing-utils/molfile-handler';
@@ -3,7 +3,7 @@ import wu from 'wu';
3
3
  import {RDModule} from '@datagrok-libraries/chem-meta/src/rdkit-api';
4
4
  import {V3K_CONST} from '@datagrok-libraries/chem-meta/src/formats/molfile-const';
5
5
  import {HelmTypes, PolymerTypes} from '@datagrok-libraries/bio/src/helm/consts';
6
- import {IMonomerLib, IMonomerLibBase} from '@datagrok-libraries/bio/src/types/index';
6
+ import {IMonomerLib, IMonomerLibBase} from '@datagrok-libraries/bio/src/types/monomer-library';
7
7
  import {NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule';
8
8
  import {GapOriginals} from '@datagrok-libraries/bio/src/utils/macromolecule/consts';
9
9
  import {MolfileWithMap, MonomerMap} from '@datagrok-libraries/bio/src/monomer-works/types';
@@ -2,7 +2,7 @@ import * as grok from 'datagrok-api/grok';
2
2
  import * as ui from 'datagrok-api/ui';
3
3
  import * as DG from 'datagrok-api/dg';
4
4
 
5
- import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types';
5
+ import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types/monomer-library';
6
6
 
7
7
  import {SeqHelper} from '../seq-helper';
8
8
 
@@ -14,7 +14,8 @@ export async function getMolColumnFromHelm(
14
14
  ): Promise<DG.Column<string>> {
15
15
  const seqHelper: SeqHelper = _package.seqHelper as SeqHelper;
16
16
  const converter = await seqHelper.getHelmToMolfileConverter(monomerLib);
17
- const molCol = converter.convertToRdKitBeautifiedMolfileColumn(helmCol, chiralityEngine, _package.rdKitModule, monomerLib);
17
+ const molCol = converter
18
+ .convertToRdKitBeautifiedMolfileColumn(helmCol, chiralityEngine, _package.rdKitModule, monomerLib);
18
19
  molCol.semType = DG.SEMTYPE.MOLECULE;
19
20
  return molCol;
20
21
  }
@@ -2,9 +2,8 @@ import * as grok from 'datagrok-api/grok';
2
2
  import * as DG from 'datagrok-api/dg';
3
3
  import * as ui from 'datagrok-api/ui';
4
4
 
5
- import {getMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
6
5
  import {CellRendererBackBase} from '@datagrok-libraries/bio/src/utils/cell-renderer-back-base';
7
- import {IMonomerLibBase} from '@datagrok-libraries/bio/src/types/index';
6
+ import {IMonomerLibBase, getMonomerLibHelper} from '@datagrok-libraries/bio/src/types/monomer-library';
8
7
  import {ISeqHelper, getSeqHelper} from '@datagrok-libraries/bio/src/utils/seq-helper';
9
8
 
10
9
  import {_package} from '../package';
@@ -3,12 +3,7 @@ import * as ui from 'datagrok-api/ui';
3
3
  import * as DG from 'datagrok-api/dg';
4
4
 
5
5
  import {UserLibSettings} from '@datagrok-libraries/bio/src/monomer-works/types';
6
- import {MonomerLibSummaryType} from '@datagrok-libraries/bio/src/types/index';
7
-
8
- export const LIB_PATH = 'System:AppData/Bio/monomer-libraries/';
9
- export const SETS_PATH: string = 'System:AppData/Bio/monomer-sets/';
10
-
11
- export const HELM_JSON_SCHEMA_PATH = 'System:AppData/Bio/tests/libraries/HELMmonomerSchema.json';
6
+ import {MonomerLibSummaryType} from '@datagrok-libraries/bio/src/types/monomer-library';
12
7
 
13
8
  export const LIB_SETTINGS_FOR_TESTS: UserLibSettings =
14
9
  {explicit: ['HELMCoreLibrary.json', 'polytool-lib.json'], exclude: [], duplicateMonomerPreferences: {}};