@datagrok/bio 2.15.3 → 2.15.6
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/CHANGELOG.md +40 -0
- package/detectors.js +9 -2
- package/dist/284.js +1 -1
- package/dist/284.js.map +1 -1
- package/dist/455.js +2 -0
- package/dist/455.js.map +1 -0
- package/dist/980.js +1 -1
- package/dist/980.js.map +1 -1
- package/dist/package-test.js +3 -3
- package/dist/package-test.js.map +1 -1
- package/dist/package.js +2 -2
- package/dist/package.js.map +1 -1
- package/files/monomer-libraries/polytool-lib.json +52 -0
- package/files/tests/to-atomic-level-msa-fasta-output.csv +683 -683
- package/files/tests/to-atomic-level-msa-separator-output.csv +104 -104
- package/package.json +9 -9
- package/src/analysis/sequence-activity-cliffs.ts +3 -1
- package/src/calculations/monomerLevelMols.ts +2 -1
- package/src/demo/bio03-atomic-level.ts +1 -1
- package/src/package-test.ts +2 -1
- package/src/package.ts +151 -38
- package/src/tests/WebLogo-positions-test.ts +1 -1
- package/src/tests/activity-cliffs-tests.ts +2 -3
- package/src/tests/bio-tests.ts +1 -1
- package/src/tests/detectors-custom-notation-tests.ts +37 -0
- package/src/tests/detectors-tests.ts +20 -69
- package/src/tests/detectors-weak-and-likely-tests.ts +2 -2
- package/src/tests/monomer-libraries-tests.ts +31 -6
- package/src/tests/pepsea-tests.ts +1 -1
- package/src/tests/renderers-monomer-placer-tests.ts +2 -4
- package/src/tests/scoring.ts +2 -3
- package/src/tests/seq-handler-get-helm-tests.ts +2 -4
- package/src/tests/seq-handler-splitted-tests.ts +6 -2
- package/src/tests/splitters-test.ts +6 -6
- package/src/tests/substructure-filters-tests.ts +2 -3
- package/src/tests/to-atomic-level-tests.ts +22 -17
- package/src/tests/to-atomic-level-ui-tests.ts +76 -38
- package/src/tests/types.ts +0 -2
- package/src/tests/utils/detectors-utils.ts +63 -0
- package/src/tests/utils.ts +2 -2
- package/src/utils/cell-renderer-custom.ts +62 -0
- package/src/utils/cell-renderer.ts +58 -126
- package/src/utils/cyclized.ts +28 -14
- package/src/utils/dimerized.ts +0 -2
- package/src/utils/helm-to-molfile/converter/converter.ts +75 -54
- package/src/utils/helm-to-molfile/converter/monomer-wrapper.ts +2 -2
- package/src/utils/helm-to-molfile/converter/polymer.ts +23 -16
- package/src/utils/helm-to-molfile/converter/types.ts +0 -10
- package/src/utils/helm-to-molfile/utils.ts +10 -7
- package/src/utils/monomer-lib/consts.ts +18 -0
- package/src/utils/monomer-lib/lib-manager.ts +13 -3
- package/src/utils/monomer-lib/library-file-manager/file-manager.ts +1 -2
- package/src/utils/monomer-lib/monomer-colors.ts +68 -0
- package/src/utils/monomer-lib/monomer-lib-base.ts +165 -0
- package/src/utils/monomer-lib/monomer-lib.ts +44 -72
- package/src/utils/monomer-lib/monomer-manager/monomer-manager.ts +1 -1
- package/src/utils/monomer-lib/web-editor-monomer-dummy.ts +121 -0
- package/src/utils/monomer-lib/web-editor-monomer-of-library.ts +102 -0
- package/src/utils/pepsea.ts +1 -1
- package/src/utils/save-as-fasta.ts +1 -1
- package/src/utils/seq-helper/seq-helper.ts +20 -49
- package/src/utils/sequence-to-mol.ts +24 -28
- package/src/viewers/web-logo-viewer.ts +2 -1
- package/src/widgets/composition-analysis-widget.ts +4 -3
- package/src/widgets/representations.ts +8 -10
- package/dist/248.js +0 -2
- package/dist/248.js.map +0 -1
- package/src/utils/cell-renderer-consts.ts +0 -31
- package/src/utils/monomer-lib/library-file-manager/consts.ts +0 -1
package/CHANGELOG.md
CHANGED
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@@ -1,5 +1,45 @@
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# Bio changelog
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## 2.15.6 (2024-09-27)
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### Bug fixes
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* Fix detectMacromolecule forbidding monomers '2,...', add test
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* Fix using IMonomerLibHelper.loadMonomerLibForTests
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* Fix cell renderer to reset reference sequence on reset current row
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* GROK-16699: Fix PepSeA container return meaningful error messages, unskip test
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* Fix test data monomers add aG, azG
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* Fix unskip toAtomicLevel tests depending on HelmHelper
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* Fix detectMacromolecule for harmonized sequences, add test
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## 2.15.5 (2024-09-25)
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### New features
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* Add custom notation, fix tests
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* Add overriding monomer library for toAtomicLevel
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### Bug fixes
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* Fix skipping tests depending on new Helm
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## 2.15.4 (2024-09-24)
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### New features
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* Add monomer hover handling for substruct
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* Add highlight param for toAtomicLevel
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* Add HelmHelper parse and removeGaps methods
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* Add naturalMonomerColors for monomers of MonomerLib
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* Add MonomerLib.getWebEditorMonomer (for color)
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* Add function Identity for Add new Column
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### Bug fixes
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* Fix toAtomicLevel for sequences with gaps
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* Fix ISeqSplitted remove .canonicals and .originals
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* Fix toAtomicLevel tests for linear with gaps
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## 2.15.3 (2024-09-22)
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Add monomer background coloring
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package/detectors.js
CHANGED
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@@ -183,6 +183,7 @@ class BioPackageDetectors extends DG.Package {
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// col.setTag(SeqHandler.TAGS.alphabetSize, alphabetSize.toString());
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col.setTag(SeqHandler.TAGS.alphabetIsMultichar, alphabetIsMultichar ? 'true' : 'false');
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col.setTag(DG.TAGS.CELL_RENDERER, 'helm');
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return DG.SEMTYPE.MACROMOLECULE;
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}
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const alphabetIsMultichar = Object.keys(stats.freq).some((m) => m.length > 1);
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col.setTag(SeqHandler.TAGS.alphabetIsMultichar, alphabetIsMultichar ? 'true' : 'false');
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}
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col.setTag(DG.TAGS.CELL_RENDERER, 'sequence');
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return DG.SEMTYPE.MACROMOLECULE;
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} else {
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const stats = this.getStats(categoriesSample, seqMinLength, splitter);
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}
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refineSeqSplitter(col, stats, separator).then(() => { });
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col.setTag(DG.TAGS.CELL_RENDERER, 'sequence');
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return DG.SEMTYPE.MACROMOLECULE;
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}
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} catch (err) {
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@@ -383,7 +385,8 @@ class BioPackageDetectors extends DG.Package {
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*/
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checkBadMultichar(freq) /* : string | null */ {
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for (const symbol of Object.keys(freq)) {
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if (symbol && !isNaN(symbol))
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if (symbol && !isNaN(symbol))
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return symbol; // performance evaluated better with RegExp
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const symbolLen = symbol.length;
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if (this.forbiddenMulticharFirst.includes(symbol[0]))
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if (this.forbiddenMulticharMiddle.includes(c))
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return symbol;
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}
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if (symbol.match(/^\d+\W+.*/))
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// symbols like '2,...' are forbidden
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// we require an alphabet character just after the leading digit(s)
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return symbol;
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}
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return null;
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}
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