@datagrok/bio 2.22.8 → 2.22.10
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/dist/111.js +1 -1
- package/dist/111.js.map +1 -1
- package/dist/234.js +1 -1
- package/dist/234.js.map +1 -1
- package/dist/242.js +1 -1
- package/dist/242.js.map +1 -1
- package/dist/284.js +1 -1
- package/dist/284.js.map +1 -1
- package/dist/455.js +1 -1
- package/dist/455.js.map +1 -1
- package/dist/589.js +1 -1
- package/dist/589.js.map +1 -1
- package/dist/603.js +1 -1
- package/dist/603.js.map +1 -1
- package/dist/682.js +1 -1
- package/dist/682.js.map +1 -1
- package/dist/705.js +1 -1
- package/dist/705.js.map +1 -1
- package/dist/731.js +1 -1
- package/dist/731.js.map +1 -1
- package/dist/778.js +1 -1
- package/dist/778.js.map +1 -1
- package/dist/793.js +1 -1
- package/dist/793.js.map +1 -1
- package/dist/801.js.map +1 -1
- package/dist/810.js +1 -1
- package/dist/810.js.map +1 -1
- package/dist/950.js +1 -1
- package/dist/950.js.map +1 -1
- 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 +3 -3
- package/dist/package.js.map +1 -1
- package/package.json +3 -3
- package/src/package-api.ts +2 -2
- package/src/package.g.ts +128 -160
- package/src/package.ts +58 -24
- package/src/utils/monomer-lib/monomer-manager/monomer-manager.ts +30 -8
- package/test-console-output-1.log +380 -380
- package/test-record-1.mp4 +0 -0
package/src/package.g.ts
CHANGED
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@@ -1,37 +1,38 @@
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import {PackageFunctions} from './package';
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import * as DG from 'datagrok-api/dg';
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-
//name: getMonomerLibHelper
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//description: Returns an instance of the monomer library helper
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//output: object result
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export async function getMonomerLibHelper() {
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return PackageFunctions.getMonomerLibHelper();
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export async function getMonomerLibHelper() : Promise<any> {
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return await PackageFunctions.getMonomerLibHelper();
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}
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//name: initBio
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//tags: init
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export async function initBio() {
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export async function initBio() : Promise<void> {
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await PackageFunctions.initBio();
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}
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-
//name: sequenceTooltip
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//tags: tooltip
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//input: column col { semType: Macromolecule }
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//output: widget result
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export function sequenceTooltip(col: DG.Column) {
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export function sequenceTooltip(col: DG.Column) : any {
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return PackageFunctions.sequenceTooltip(col);
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}
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//
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//input: string library
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//output: string result
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export async function standardiseMonomerLibrary(library: string) : Promise<string> {
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return await PackageFunctions.standardiseMonomerLibrary(library);
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}
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//output: object monomerLib
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export function getBioLib() {
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export function getBioLib() : any {
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return PackageFunctions.getBioLib();
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}
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-
//name: getSeqHandler
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//input: column sequence { semType: Macromolecule }
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//output: object result
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export function getSeqHandler(sequence: any) {
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export function getSeqHandler(sequence: DG.Column<any>) : any {
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return PackageFunctions.getSeqHandler(sequence);
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}
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@@ -40,7 +41,7 @@ export function getSeqHandler(sequence: any) {
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//tags: panel
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//input: column seqCol { semType: Macromolecule }
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//output: widget result
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export function getRegionPanel(seqCol: any) {
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export function getRegionPanel(seqCol: DG.Column<any>) : any {
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return PackageFunctions.getRegionPanel(seqCol);
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}
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@@ -48,62 +49,55 @@ export function getRegionPanel(seqCol: any) {
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//tags: panel, exclude-actions-panel
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//input: column seqColumn { semType: Macromolecule }
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//output: widget result
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export async function libraryPanel(_seqColumn: DG.Column) {
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return PackageFunctions.libraryPanel(_seqColumn);
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export async function libraryPanel(_seqColumn: DG.Column) : Promise<any> {
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return await PackageFunctions.libraryPanel(_seqColumn);
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}
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//name: GetRegionEditor
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//tags: editor
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//input: funccall call
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export function GetRegionEditor(call: DG.FuncCall) {
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export function GetRegionEditor(call: DG.FuncCall) : void {
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PackageFunctions.GetRegionEditor(call);
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}
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//name: SplitToMonomersEditor
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//tags: editor
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//input: funccall call
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export function SplitToMonomersEditor(call: DG.FuncCall) {
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export function SplitToMonomersEditor(call: DG.FuncCall) : void {
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PackageFunctions.SplitToMonomersEditor(call);
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}
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//name: SequenceSpaceEditor
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//tags: editor
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//input: funccall call
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export function SequenceSpaceEditor(call: DG.FuncCall) {
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export function SequenceSpaceEditor(call: DG.FuncCall) : void {
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PackageFunctions.SequenceSpaceEditor(call);
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}
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//name: SeqActivityCliffsEditor
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//tags: editor
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//input: funccall call
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export function SeqActivityCliffsEditor(call: DG.FuncCall) {
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export function SeqActivityCliffsEditor(call: DG.FuncCall) : void {
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PackageFunctions.SeqActivityCliffsEditor(call);
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}
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-
//name: customSequenceCellRenderer
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//tags: cellRenderer
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//output: grid_cell_renderer result
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//meta.cellType: sequence
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//meta.columnTags: quality=Macromolecule, units=custom
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export function customSequenceCellRenderer() {
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export function customSequenceCellRenderer() : any {
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return PackageFunctions.customSequenceCellRenderer();
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}
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//name: fastaSequenceCellRenderer
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//tags: cellRenderer
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//output: grid_cell_renderer result
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//meta.cellType: sequence
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//meta.columnTags: quality=Macromolecule, units=fasta
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export function fastaSequenceCellRenderer() {
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export function fastaSequenceCellRenderer() : any {
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return PackageFunctions.fastaSequenceCellRenderer();
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}
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//name: separatorSequenceCellRenderer
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//tags: cellRenderer
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//output: grid_cell_renderer result
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//meta.cellType: sequence
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//meta.columnTags: quality=Macromolecule, units=separator
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export function separatorSequenceCellRenderer() {
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export function separatorSequenceCellRenderer() : any {
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return PackageFunctions.separatorSequenceCellRenderer();
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}
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@@ -111,7 +105,7 @@ export function separatorSequenceCellRenderer() {
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//tags: panel
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//input: column molColumn { semType: Macromolecule }
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//output: widget result
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export function macroMolColumnPropertyPanel(molColumn: DG.Column) {
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export function macroMolColumnPropertyPanel(molColumn: DG.Column) : any {
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return PackageFunctions.macroMolColumnPropertyPanel(molColumn);
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}
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@@ -119,7 +113,7 @@ export function macroMolColumnPropertyPanel(molColumn: DG.Column) {
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//tags: panel, bio, widgets
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//input: semantic_value sequence { semType: Macromolecule }
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//output: widget result
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export function compositionAnalysisWidget(sequence: DG.SemanticValue) {
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export function compositionAnalysisWidget(sequence: DG.SemanticValue) : any {
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return PackageFunctions.compositionAnalysisWidget(sequence);
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}
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@@ -128,11 +122,10 @@ export function compositionAnalysisWidget(sequence: DG.SemanticValue) {
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//output: grid_cell_renderer result
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//meta.cellType: MacromoleculeDifference
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//meta.columnTags: quality=MacromoleculeDifference
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export function macromoleculeDifferenceCellRenderer() {
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export function macromoleculeDifferenceCellRenderer() : any {
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return PackageFunctions.macromoleculeDifferenceCellRenderer();
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}
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//name: sequenceAlignment
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//input: string alignType { choices: ['Local alignment','Global alignment'] }
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//input: string alignTable { choices: ['AUTO','NUCLEOTIDES','BLOSUM45','BLOSUM50','BLOSUM62','BLOSUM80','BLOSUM90','PAM30','PAM70','PAM250','SCHNEIDER','TRANS'] }
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//input: double gap
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@@ -161,14 +154,13 @@ export function vdRegionsViewer() {
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return PackageFunctions.vdRegionsViewer();
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}
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//name: getRegion
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//description: Gets a new column with sequences of the region between start and end
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//input: column sequence
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//input: string start { optional: true }
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//input: string end { optional: true }
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//input: string name { optional: true; description: Name of the column to be created }
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//output: column result
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export function getRegion(sequence: any
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export function getRegion(sequence: DG.Column<any>, start: any, end: any, name: any) : any {
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return PackageFunctions.getRegion(sequence, start, end, name);
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}
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//input: string name { optional: true; description: Region column name }
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//top-menu: Bio | Calculate | Get Region...
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//editor: Bio:GetRegionEditor
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export async function getRegionTopMenu(table: DG.DataFrame, sequence: DG.Column, start: any, end: any, name: any) {
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export async function getRegionTopMenu(table: DG.DataFrame, sequence: DG.Column, start: any, end: any, name: any) : Promise<void> {
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await PackageFunctions.getRegionTopMenu(table, sequence, start, end, name);
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}
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//name: Sequence Activity Cliffs
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@@ -198,8 +190,8 @@ export async function getRegionTopMenu(table: DG.DataFrame, sequence: DG.Column,
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//input: bool demo { optional: true }
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//top-menu: Bio | Analyze | Activity Cliffs...
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//editor: Bio:SeqActivityCliffsEditor
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export async function activityCliffs(table: DG.DataFrame, molecules: any
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return PackageFunctions.activityCliffs(table, molecules, activities, similarity, methodName, similarityMetric, preprocessingFunction, options, demo);
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export async function activityCliffs(table: DG.DataFrame, molecules: DG.Column<any>, activities: DG.Column, similarity: number, methodName: any, similarityMetric: any, preprocessingFunction: any, options?: any, demo?: boolean) : Promise<any> {
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return await PackageFunctions.activityCliffs(table, molecules, activities, similarity, methodName, similarityMetric, preprocessingFunction, options, demo);
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}
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//name: Encode Sequences
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//meta.supportedSemTypes: Macromolecule
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//meta.supportedTypes: string
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//meta.supportedDistanceFunctions: Hamming,Levenshtein,Monomer chemical distance,Needlemann-Wunsch
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export async function macromoleculePreprocessingFunction(col: DG.Column, metric: any, gapOpen: number, gapExtend: number, fingerprintType: string) {
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return PackageFunctions.macromoleculePreprocessingFunction(col, metric, gapOpen, gapExtend, fingerprintType);
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export async function macromoleculePreprocessingFunction(col: DG.Column, metric: any, gapOpen: number, gapExtend: number, fingerprintType: string) : Promise<any> {
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return await PackageFunctions.macromoleculePreprocessingFunction(col, metric, gapOpen, gapExtend, fingerprintType);
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}
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//name: Helm Fingerprints
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@@ -225,8 +217,8 @@ export async function macromoleculePreprocessingFunction(col: DG.Column, metric:
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//meta.supportedTypes: string
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//meta.supportedUnits: helm
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//meta.supportedDistanceFunctions: Tanimoto,Asymmetric,Cosine,Sokal
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export async function helmPreprocessingFunction(col: any
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return PackageFunctions.helmPreprocessingFunction(col, _metric);
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export async function helmPreprocessingFunction(col: DG.Column<any>, _metric: any) : Promise<any> {
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return await PackageFunctions.helmPreprocessingFunction(col, _metric);
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}
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//name: Sequence Space
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//input: bool isDemo { optional: true }
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//top-menu: Bio | Analyze | Sequence Space...
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//editor: Bio:SequenceSpaceEditor
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export async function sequenceSpaceTopMenu(table: DG.DataFrame, molecules: DG.Column, methodName: any, similarityMetric: any, plotEmbeddings: boolean, preprocessingFunction?: any, options?: any, clusterEmbeddings?: boolean, isDemo?: boolean) {
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return PackageFunctions.sequenceSpaceTopMenu(table, molecules, methodName, similarityMetric, plotEmbeddings, preprocessingFunction, options, clusterEmbeddings, isDemo);
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export async function sequenceSpaceTopMenu(table: DG.DataFrame, molecules: DG.Column, methodName: any, similarityMetric: any, plotEmbeddings: boolean, preprocessingFunction?: any, options?: any, clusterEmbeddings?: boolean, isDemo?: boolean) : Promise<any> {
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return await PackageFunctions.sequenceSpaceTopMenu(table, molecules, methodName, similarityMetric, plotEmbeddings, preprocessingFunction, options, clusterEmbeddings, isDemo);
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}
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//name: To Atomic Level
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//input: bool nonlinear { default: false; caption: Non-linear; description: Slower mode for cycling/branching HELM structures }
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//input: bool highlight { default: false; caption: Highlight monomers; description: Highlight monomers' substructures of the molecule }
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//top-menu: Bio | Transform | To Atomic Level...
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export async function toAtomicLevel(table: DG.DataFrame, seqCol: DG.Column, nonlinear: boolean, highlight: boolean) {
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export async function toAtomicLevel(table: DG.DataFrame, seqCol: DG.Column, nonlinear: boolean, highlight: boolean) : Promise<void> {
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await PackageFunctions.toAtomicLevel(table, seqCol, nonlinear, highlight);
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}
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//name: To Atomic Level...
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//input: column seqCol { semType: Macromolecule }
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//meta.action: to atomic level
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export async function toAtomicLevelAction(seqCol: DG.Column) {
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export async function toAtomicLevelAction(seqCol: DG.Column) : Promise<void> {
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await PackageFunctions.toAtomicLevelAction(seqCol);
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}
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//name: Molecular Structure
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//tags: panel, bio, widgets
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//input: semantic_value sequence { semType: Macromolecule }
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//output: widget result
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export async function toAtomicLevelPanel(sequence: DG.SemanticValue) {
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return PackageFunctions.toAtomicLevelPanel(sequence);
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export async function toAtomicLevelPanel(sequence: DG.SemanticValue) : Promise<any> {
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return await PackageFunctions.toAtomicLevelPanel(sequence);
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}
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//name: Molecular 3D Structure
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//tags: panel, bio, widgets
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//input: semantic_value sequence { semType: Macromolecule }
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//output: widget result
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export async function sequence3dStructureWidget(sequence: DG.SemanticValue) {
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export async function splitToMonomersTopMenu(table: DG.DataFrame, sequence: DG.Column) : Promise<any> {
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export function getHelmMonomers(sequence: DG.Column<any>) : string[] {
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}
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export function similaritySearchViewer() : any {
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//output: viewer result
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export function diversitySearchViewer() {
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export function diversitySearchViewer() : any {
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}
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@@ -409,16 +396,16 @@ export function diversitySearchTopMenu() {
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//name: SearchSubsequenceEditor
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//tags: editor
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//input: funccall call
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|
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export function searchSubsequenceEditor(call: DG.FuncCall) {
|
|
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|
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|
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|
+
export function searchSubsequenceEditor(call: DG.FuncCall) : void {
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|
+
PackageFunctions.searchSubsequenceEditor(call);
|
|
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}
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//name: Subsequence Search
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//input: column macromolecules
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//top-menu: Bio | Search | Subsequence Search ...
|
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|
//editor: Bio:SearchSubsequenceEditor
|
|
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|
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export function SubsequenceSearchTopMenu(macromolecules: DG.Column) {
|
|
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|
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|
|
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|
+
export function SubsequenceSearchTopMenu(macromolecules: DG.Column) : void {
|
|
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|
+
PackageFunctions.SubsequenceSearchTopMenu(macromolecules);
|
|
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|
}
|
|
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//name: Identity Scoring
|
|
@@ -428,8 +415,8 @@ export function SubsequenceSearchTopMenu(macromolecules: DG.Column) {
|
|
|
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//input: string reference { description: Sequence,matching column format }
|
|
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|
//output: column result
|
|
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|
//top-menu: Bio | Calculate | Identity...
|
|
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|
-
export async function sequenceIdentityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) {
|
|
432
|
-
return PackageFunctions.sequenceIdentityScoring(table, macromolecule, reference);
|
|
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|
+
export async function sequenceIdentityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) : Promise<any> {
|
|
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|
+
return await PackageFunctions.sequenceIdentityScoring(table, macromolecule, reference);
|
|
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|
}
|
|
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|
|
|
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|
//name: Similarity Scoring
|
|
@@ -439,27 +426,26 @@ export async function sequenceIdentityScoring(table: DG.DataFrame, macromolecule
|
|
|
439
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|
//input: string reference { description: Sequence,matching column format }
|
|
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|
//output: column result
|
|
441
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|
//top-menu: Bio | Calculate | Similarity...
|
|
442
|
-
export async function sequenceSimilarityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) {
|
|
443
|
-
return PackageFunctions.sequenceSimilarityScoring(table, macromolecule, reference);
|
|
429
|
+
export async function sequenceSimilarityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) : Promise<any> {
|
|
430
|
+
return await PackageFunctions.sequenceSimilarityScoring(table, macromolecule, reference);
|
|
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|
}
|
|
445
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|
|
|
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|
//name: Manage Monomer Libraries
|
|
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|
//description: Manage HELM monomer libraries
|
|
448
|
-
export async function manageMonomerLibraries() {
|
|
449
|
-
|
|
435
|
+
export async function manageMonomerLibraries() : Promise<void> {
|
|
436
|
+
await PackageFunctions.manageMonomerLibraries();
|
|
450
437
|
}
|
|
451
438
|
|
|
452
439
|
//name: Manage Monomer Libraries View
|
|
453
440
|
//top-menu: Bio | Manage | Monomer Libraries
|
|
454
|
-
export async function manageLibrariesView() {
|
|
455
|
-
|
|
441
|
+
export async function manageLibrariesView() : Promise<void> {
|
|
442
|
+
await PackageFunctions.manageLibrariesView();
|
|
456
443
|
}
|
|
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|
|
|
458
|
-
//name: manageMonomersView
|
|
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445
|
//description: Edit and create monomers
|
|
460
446
|
//top-menu: Bio | Manage | Monomers
|
|
461
|
-
export async function manageMonomersView() {
|
|
462
|
-
|
|
447
|
+
export async function manageMonomersView() : Promise<void> {
|
|
448
|
+
await PackageFunctions.manageMonomersView();
|
|
463
449
|
}
|
|
464
450
|
|
|
465
451
|
//name: Manage Monomer Libraries
|
|
@@ -467,22 +453,21 @@ export async function manageMonomersView() {
|
|
|
467
453
|
//output: view result
|
|
468
454
|
//meta.browsePath: Peptides
|
|
469
455
|
//meta.icon: files/icons/monomers.png
|
|
470
|
-
export async function manageMonomerLibrariesView() {
|
|
471
|
-
return PackageFunctions.manageMonomerLibrariesView();
|
|
456
|
+
export async function manageMonomerLibrariesView() : Promise<any> {
|
|
457
|
+
return await PackageFunctions.manageMonomerLibrariesView();
|
|
472
458
|
}
|
|
473
459
|
|
|
474
460
|
//name: Monomer Manager Tree Browser
|
|
475
461
|
//input: dynamic treeNode
|
|
476
|
-
//
|
|
477
|
-
export async function manageMonomerLibrariesViewTreeBrowser(treeNode: any
|
|
478
|
-
|
|
462
|
+
//meta.role: appTreeBrowser
|
|
463
|
+
export async function manageMonomerLibrariesViewTreeBrowser(treeNode: any) : Promise<void> {
|
|
464
|
+
await PackageFunctions.manageMonomerLibrariesViewTreeBrowser(treeNode);
|
|
479
465
|
}
|
|
480
466
|
|
|
481
|
-
//name: saveAsFasta
|
|
482
467
|
//description: As FASTA...
|
|
483
468
|
//tags: fileExporter
|
|
484
|
-
export function saveAsFasta() {
|
|
485
|
-
|
|
469
|
+
export function saveAsFasta() : void {
|
|
470
|
+
PackageFunctions.saveAsFasta();
|
|
486
471
|
}
|
|
487
472
|
|
|
488
473
|
//name: Bio Substructure Filter
|
|
@@ -490,140 +475,123 @@ export function saveAsFasta() {
|
|
|
490
475
|
//tags: filter
|
|
491
476
|
//output: filter result
|
|
492
477
|
//meta.semType: Macromolecule
|
|
493
|
-
export function bioSubstructureFilter() {
|
|
478
|
+
export function bioSubstructureFilter() : any {
|
|
494
479
|
return PackageFunctions.bioSubstructureFilter();
|
|
495
480
|
}
|
|
496
481
|
|
|
497
482
|
//name: Bio Substructure Filter Test
|
|
498
483
|
//description: Substructure filter for Helm package tests
|
|
499
484
|
//output: object result
|
|
500
|
-
export function bioSubstructureFilterTest() {
|
|
485
|
+
export function bioSubstructureFilterTest() : any {
|
|
501
486
|
return PackageFunctions.bioSubstructureFilterTest();
|
|
502
487
|
}
|
|
503
488
|
|
|
504
|
-
|
|
505
|
-
|
|
506
|
-
return PackageFunctions.webLogoLargeApp();
|
|
489
|
+
export async function webLogoLargeApp() : Promise<void> {
|
|
490
|
+
await PackageFunctions.webLogoLargeApp();
|
|
507
491
|
}
|
|
508
492
|
|
|
509
|
-
|
|
510
|
-
|
|
511
|
-
return PackageFunctions.webLogoAggApp();
|
|
493
|
+
export async function webLogoAggApp() : Promise<void> {
|
|
494
|
+
await PackageFunctions.webLogoAggApp();
|
|
512
495
|
}
|
|
513
496
|
|
|
514
|
-
|
|
515
|
-
|
|
516
|
-
return PackageFunctions.getRegionApp();
|
|
497
|
+
export async function getRegionApp() : Promise<void> {
|
|
498
|
+
await PackageFunctions.getRegionApp();
|
|
517
499
|
}
|
|
518
500
|
|
|
519
|
-
|
|
520
|
-
|
|
521
|
-
return PackageFunctions.getRegionHelmApp();
|
|
501
|
+
export async function getRegionHelmApp() : Promise<void> {
|
|
502
|
+
await PackageFunctions.getRegionHelmApp();
|
|
522
503
|
}
|
|
523
504
|
|
|
524
|
-
|
|
525
|
-
|
|
526
|
-
return PackageFunctions.longSeqTableSeparator();
|
|
505
|
+
export function longSeqTableSeparator() : void {
|
|
506
|
+
PackageFunctions.longSeqTableSeparator();
|
|
527
507
|
}
|
|
528
508
|
|
|
529
|
-
|
|
530
|
-
|
|
531
|
-
return PackageFunctions.longSeqTableFasta();
|
|
509
|
+
export function longSeqTableFasta() : void {
|
|
510
|
+
PackageFunctions.longSeqTableFasta();
|
|
532
511
|
}
|
|
533
512
|
|
|
534
|
-
|
|
535
|
-
|
|
536
|
-
return PackageFunctions.longSeqTableHelm();
|
|
513
|
+
export function longSeqTableHelm() : void {
|
|
514
|
+
PackageFunctions.longSeqTableHelm();
|
|
537
515
|
}
|
|
538
516
|
|
|
539
|
-
//name: addCopyMenu
|
|
540
517
|
//input: object cell
|
|
541
518
|
//input: object menu
|
|
542
|
-
export function addCopyMenu(cell: any, menu: any) {
|
|
543
|
-
|
|
519
|
+
export function addCopyMenu(cell: any, menu: any) : void {
|
|
520
|
+
PackageFunctions.addCopyMenu(cell, menu);
|
|
544
521
|
}
|
|
545
522
|
|
|
546
|
-
//name: demoBioSimilarityDiversity
|
|
547
523
|
//description: Sequence similarity tracking and evaluation dataset diversity
|
|
548
524
|
//meta.demoPath: Bioinformatics | Similarity, Diversity
|
|
549
525
|
//meta.path: /apps/Tutorials/Demo/Bioinformatics/Similarity,%20Diversity
|
|
550
526
|
//meta.demoSkip: GROK-14320
|
|
551
|
-
export async function demoBioSimilarityDiversity() {
|
|
552
|
-
|
|
527
|
+
export async function demoBioSimilarityDiversity() : Promise<void> {
|
|
528
|
+
await PackageFunctions.demoBioSimilarityDiversity();
|
|
553
529
|
}
|
|
554
530
|
|
|
555
|
-
//name: demoBioSequenceSpace
|
|
556
531
|
//description: Exploring sequence space of Macromolecules, comparison with hierarchical clustering results
|
|
557
532
|
//meta.demoPath: Bioinformatics | Sequence Space
|
|
558
533
|
//meta.path: /apps/Tutorials/Demo/Bioinformatics/Sequence%20Space
|
|
559
534
|
//meta.demoSkip: GROK-14320
|
|
560
|
-
export async function demoBioSequenceSpace() {
|
|
561
|
-
|
|
535
|
+
export async function demoBioSequenceSpace() : Promise<void> {
|
|
536
|
+
await PackageFunctions.demoBioSequenceSpace();
|
|
562
537
|
}
|
|
563
538
|
|
|
564
|
-
//name: demoBioActivityCliffs
|
|
565
539
|
//description: Activity Cliffs analysis on Macromolecules data
|
|
566
540
|
//meta.demoPath: Bioinformatics | Activity Cliffs
|
|
567
541
|
//meta.path: /apps/Tutorials/Demo/Bioinformatics/Activity%20Cliffs
|
|
568
542
|
//meta.demoSkip: GROK-14320
|
|
569
|
-
export async function demoBioActivityCliffs() {
|
|
570
|
-
|
|
543
|
+
export async function demoBioActivityCliffs() : Promise<void> {
|
|
544
|
+
await PackageFunctions.demoBioActivityCliffs();
|
|
571
545
|
}
|
|
572
546
|
|
|
573
|
-
//name: demoBioAtomicLevel
|
|
574
547
|
//description: Atomic level structure of Macromolecules
|
|
575
548
|
//meta.demoPath: Bioinformatics | Atomic Level
|
|
576
549
|
//meta.path: /apps/Tutorials/Demo/Bioinformatics/Atomic%20Level
|
|
577
550
|
//meta.demoSkip: GROK-14320
|
|
578
|
-
export async function demoBioAtomicLevel() {
|
|
579
|
-
|
|
551
|
+
export async function demoBioAtomicLevel() : Promise<void> {
|
|
552
|
+
await PackageFunctions.demoBioAtomicLevel();
|
|
580
553
|
}
|
|
581
554
|
|
|
582
555
|
//name: SDF to JSON Library
|
|
583
556
|
//input: dataframe table
|
|
584
|
-
export async function sdfToJsonLib(table: DG.DataFrame) {
|
|
585
|
-
|
|
557
|
+
export async function sdfToJsonLib(table: DG.DataFrame) : Promise<void> {
|
|
558
|
+
await PackageFunctions.sdfToJsonLib(table);
|
|
586
559
|
}
|
|
587
560
|
|
|
588
|
-
//name: seq2atomic
|
|
589
561
|
//description: Converts a `Macromolecule` sequence to its atomic level `Molecule` representation
|
|
590
562
|
//input: string seq { semType: Macromolecule }
|
|
591
563
|
//input: bool nonlinear
|
|
592
|
-
//output: string molfile {
|
|
564
|
+
//output: string molfile { }
|
|
593
565
|
//friendlyName: seq2atomic
|
|
594
|
-
export async function seq2atomic(seq: string, nonlinear: boolean) {
|
|
595
|
-
return PackageFunctions.seq2atomic(seq, nonlinear);
|
|
566
|
+
export async function seq2atomic(seq: string, nonlinear: boolean) : Promise<any> {
|
|
567
|
+
return await PackageFunctions.seq2atomic(seq, nonlinear);
|
|
596
568
|
}
|
|
597
569
|
|
|
598
|
-
//name: seqIdentity
|
|
599
570
|
//description: Gets identity to a reference sequence
|
|
600
571
|
//input: string seq { semType: Macromolecule }
|
|
601
572
|
//input: string ref { semType: Macromolecule }
|
|
602
573
|
//output: double result
|
|
603
574
|
//friendlyName: seqIdentity
|
|
604
|
-
export async function seqIdentity(seq: string, ref: string) {
|
|
605
|
-
return PackageFunctions.seqIdentity(seq, ref);
|
|
575
|
+
export async function seqIdentity(seq: string, ref: string) : Promise<any> {
|
|
576
|
+
return await PackageFunctions.seqIdentity(seq, ref);
|
|
606
577
|
}
|
|
607
578
|
|
|
608
|
-
//name: detectMacromoleculeProbe
|
|
609
579
|
//input: file file
|
|
610
580
|
//input: string colName
|
|
611
581
|
//input: double probeCount { default: 100 }
|
|
612
|
-
export async function detectMacromoleculeProbe(file: DG.FileInfo, colName: string, probeCount: number) {
|
|
613
|
-
|
|
582
|
+
export async function detectMacromoleculeProbe(file: DG.FileInfo, colName: string, probeCount: number) : Promise<void> {
|
|
583
|
+
await PackageFunctions.detectMacromoleculeProbe(file, colName, probeCount);
|
|
614
584
|
}
|
|
615
585
|
|
|
616
|
-
//name: getSeqHelper
|
|
617
586
|
//output: object result
|
|
618
|
-
export async function getSeqHelper() {
|
|
619
|
-
return PackageFunctions.getSeqHelper();
|
|
587
|
+
export async function getSeqHelper() : Promise<any> {
|
|
588
|
+
return await PackageFunctions.getSeqHelper();
|
|
620
589
|
}
|
|
621
590
|
|
|
622
|
-
//name: getMolFromHelm
|
|
623
591
|
//input: dataframe df
|
|
624
592
|
//input: column helmCol
|
|
625
593
|
//input: bool chiralityEngine { default: true }
|
|
626
594
|
//output: column result
|
|
627
|
-
export async function getMolFromHelm(df: DG.DataFrame, helmCol: any
|
|
628
|
-
return PackageFunctions.getMolFromHelm(df, helmCol, chiralityEngine);
|
|
595
|
+
export async function getMolFromHelm(df: DG.DataFrame, helmCol: DG.Column<any>, chiralityEngine: boolean) : Promise<any> {
|
|
596
|
+
return await PackageFunctions.getMolFromHelm(df, helmCol, chiralityEngine);
|
|
629
597
|
}
|