@datagrok-libraries/bio 5.53.3 → 5.53.4

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (9) hide show
  1. package/package.json +1 -1
  2. package/src/utils/composition-table.d.ts +6 -0
  3. package/src/utils/composition-table.d.ts.map +1 -0
  4. package/src/utils/composition-table.js +46 -0
  5. package/src/utils/composition-table.js.map +1 -0
  6. package/src/utils/sequence-position-scroller.d.ts +12 -8
  7. package/src/utils/sequence-position-scroller.d.ts.map +1 -1
  8. package/src/utils/sequence-position-scroller.js +45 -57
  9. package/src/utils/sequence-position-scroller.js.map +1 -1
package/package.json CHANGED
@@ -8,7 +8,7 @@
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  "access": "public"
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  },
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  "friendlyName": "Datagrok bio library",
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- "version": "5.53.3",
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+ "version": "5.53.4",
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  "description": "Bio utilities, types supporting Macromolecule, Molecule3D data",
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  "dependencies": {
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  "@datagrok-libraries/chem-meta": "^1.2.7",
package/src/utils/composition-table.d.ts ADDED
@@ -0,0 +1,6 @@
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+ import { IMonomerLibBase } from './../types';
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+ import { HelmType } from './../helm/types';
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+ export declare function buildCompositionTable(counts: {
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+ [m: string]: number;
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+ }, biotype: HelmType, monomerLib: IMonomerLibBase): HTMLTableElement;
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+ //# sourceMappingURL=composition-table.d.ts.map
package/src/utils/composition-table.d.ts.map ADDED
@@ -0,0 +1 @@
1
+ {"version":3,"file":"composition-table.d.ts","sourceRoot":"","sources":["composition-table.ts"],"names":[],"mappings":"AAKA,OAAO,EAAC,eAAe,EAAC,MAAM,YAAY,CAAC;AAC3C,OAAO,EAAC,QAAQ,EAAC,MAAM,iBAAiB,CAAC;AAEzC,wBAAgB,qBAAqB,CACnC,MAAM,EAAE;IAAE,CAAC,CAAC,EAAE,MAAM,GAAG,MAAM,CAAA;CAAE,EAAE,OAAO,EAAE,QAAQ,EAAE,UAAU,EAAE,eAAe,GAC9E,gBAAgB,CA0ClB"}
package/src/utils/composition-table.js ADDED
@@ -0,0 +1,46 @@
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+ import * as ui from 'datagrok-api/ui';
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+ import * as DG from 'datagrok-api/dg';
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+ import { GAP_SYMBOL } from './macromolecule/consts';
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+ export function buildCompositionTable(counts, biotype, monomerLib) {
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+ let sumValue = 0;
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+ let maxValue = null;
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+ for (const value of Object.values(counts)) {
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+ sumValue = sumValue + value;
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+ maxValue = maxValue === null ? value : Math.max(maxValue, value);
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+ }
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+ const maxRatio = maxValue / sumValue;
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+ const elMap = Object.assign({}, ...Array.from(Object.entries(counts))
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+ .sort((a, b) => b[1] - a[1])
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+ .map(([cm, value]) => {
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+ const ratio = value / sumValue;
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+ let color;
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+ try {
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+ const colors = monomerLib.getMonomerColors(biotype, cm);
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+ color = colors?.backgroundcolor || '#CCCCCC';
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+ }
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+ catch (error) {
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+ console.warn(`Failed to get colors for monomer ${cm}:`, error);
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+ color = '#CCCCCC';
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+ }
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+ const barDiv = ui.div('', { classes: 'macromolecule-cell-comp-analysis-bar' });
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+ barDiv.style.width = `${50 * ratio / maxRatio}px`;
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+ barDiv.style.backgroundColor = color;
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+ if (GAP_SYMBOL === cm) {
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+ barDiv.style.borderWidth = '1px';
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+ barDiv.style.borderStyle = 'solid';
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+ barDiv.style.borderColor = DG.Color.toHtml(DG.Color.lightGray);
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+ }
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+ const displayMonomer = GAP_SYMBOL === cm ? '-' : cm;
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+ const valueDiv = ui.div(`${(100 * ratio).toFixed(2)}%`);
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+ const el = ui.div([barDiv, valueDiv], { classes: 'macromolecule-cell-comp-analysis-value' });
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+ return ({ [displayMonomer]: el });
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+ }));
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+ const table = ui.tableFromMap(elMap);
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+ Array.from(table.rows).forEach((row) => {
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+ const barCol = row.getElementsByClassName('macromolecule-cell-comp-analysis-bar')[0]
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+ .style.backgroundColor;
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+ row.cells[0].style.color = barCol;
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+ });
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+ return table;
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+ }
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+ //# sourceMappingURL=composition-table.js.map
package/src/utils/composition-table.js.map ADDED
@@ -0,0 +1 @@
1
+ {"version":3,"file":"composition-table.js","sourceRoot":"","sources":["composition-table.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AACtC,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,UAAU,EAAC,MAAM,wBAAwB,CAAC;AAIlD,MAAM,UAAU,qBAAqB,CACnC,MAA+B,EAAE,OAAiB,EAAE,UAA2B;IAE/E,IAAI,QAAQ,GAAW,CAAC,CAAC;IACzB,IAAI,QAAQ,GAAkB,IAAI,CAAC;IACnC,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC;QAC1C,QAAQ,GAAG,QAAQ,GAAG,KAAK,CAAC;QAC5B,QAAQ,GAAG,QAAQ,KAAK,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;IACnE,CAAC;IACD,MAAM,QAAQ,GAAG,QAAS,GAAG,QAAQ,CAAC;IACtC,MAAM,KAAK,GAAiC,MAAM,CAAC,MAAM,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC;SAChG,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;SAC3B,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,KAAK,CAAC,EAAE,EAAE;QACnB,MAAM,KAAK,GAAG,KAAK,GAAG,QAAQ,CAAC;QAC/B,IAAI,KAAa,CAAC;QAClB,IAAI,CAAC;YACH,MAAM,MAAM,GAAG,UAAU,CAAC,gBAAgB,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC;YACxD,KAAK,GAAG,MAAM,EAAE,eAAe,IAAI,SAAS,CAAC;QAC/C,CAAC;QAAC,OAAO,KAAK,EAAE,CAAC;YACf,OAAO,CAAC,IAAI,CAAC,oCAAoC,EAAE,GAAG,EAAE,KAAK,CAAC,CAAC;YAC/D,KAAK,GAAG,SAAS,CAAC;QACpB,CAAC;QAED,MAAM,MAAM,GAAG,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,EAAC,OAAO,EAAE,sCAAsC,EAAC,CAAC,CAAC;QAC7E,MAAM,CAAC,KAAK,CAAC,KAAK,GAAG,GAAG,EAAE,GAAG,KAAK,GAAG,QAAQ,IAAI,CAAC;QAClD,MAAM,CAAC,KAAK,CAAC,eAAe,GAAG,KAAK,CAAC;QACrC,IAAI,UAAU,KAAK,EAAE,EAAE,CAAC;YACtB,MAAM,CAAC,KAAK,CAAC,WAAW,GAAG,KAAK,CAAC;YACjC,MAAM,CAAC,KAAK,CAAC,WAAW,GAAG,OAAO,CAAC;YACnC,MAAM,CAAC,KAAK,CAAC,WAAW,GAAG,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,EAAE,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC;QACjE,CAAC;QACD,MAAM,cAAc,GAAW,UAAU,KAAK,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC;QAC5D,MAAM,QAAQ,GAAG,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,GAAG,KAAK,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;QACxD,MAAM,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,QAAQ,CAAC,EAAE,EAAC,OAAO,EAAE,wCAAwC,EAAC,CAAC,CAAC;QAC3F,OAAO,CAAC,EAAC,CAAC,cAAc,CAAC,EAAE,EAAE,EAAC,CAAC,CAAC;IAClC,CAAC,CAAC,CAAC,CAAC;IAEN,MAAM,KAAK,GAAG,EAAE,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC;IACrC,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,EAAE,EAAE;QACrC,MAAM,MAAM,GAAI,GAAG,CAAC,sBAAsB,CAAC,sCAAsC,CAAC,CAAC,CAAC,CAAoB;aACrG,KAAK,CAAC,eAAe,CAAC;QACzB,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,KAAK,GAAG,MAAM,CAAC;IACpC,CAAC,CAAC,CAAC;IACH,OAAO,KAAK,CAAC;AACf,CAAC"}
package/src/utils/sequence-position-scroller.d.ts CHANGED
@@ -4,6 +4,9 @@
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  * with position markers, slider navigation, and position selection.
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  */
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  import * as DG from 'datagrok-api/dg';
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+ import { ISeqHandler } from './macromolecule/seq-handler';
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+ import { HelmType } from '../helm/types';
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+ import { IMonomerLib } from '../types';
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  interface WindowRange {
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  start: number;
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  end: number;
@@ -39,20 +42,20 @@ export declare abstract class MSAHeaderTrack {
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  protected defaultHeight: number;
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  protected title: string;
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  protected tooltipEnabled: boolean;
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- protected tooltipContent: ((position: number, data: any) => HTMLElement) | null;
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+ protected tooltipContent: ((position: number, monomer: string | null, data: Map<string, number>) => HTMLElement) | null;
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  constructor(height?: number, minHeight?: number, title?: string);
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  /**
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  * Initialize the track with a canvas context
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  */
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  init(ctx: CanvasRenderingContext2D): void;
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- getMonomerAt(x: number, y: number, position: number): string | null;
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+ getMonomerAt(_x: number, _y: number, _position: number): string | null;
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  enableTooltip(enabled: boolean): void;
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- setTooltipContentGenerator(contentGenerator: (position: number, data: any) => HTMLElement): void;
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- getTooltipContent(position: number): HTMLElement | null;
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+ setTooltipContentGenerator(contentGenerator: (position: number, monomer: string | null, data: Map<string, number>) => HTMLElement): void;
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+ getTooltipContent(position: number, monomer: string | null): HTMLElement | null;
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  /**
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  * Get data for a specific position (to be implemented by subclasses)
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  */
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- protected getPositionData(position: number): any;
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+ protected getPositionData(position: number): Map<string, number> | null;
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  setVisible(visible: boolean): void;
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  getHeight(): number;
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  getDefaultHeight(): number;
@@ -79,8 +82,8 @@ export declare class WebLogoTrack extends MSAHeaderTrack {
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  setupDefaultTooltip(): void;
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  private createFrequencyTable;
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  private createTooltipContent;
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- setMonomerLib(monomerLib: any): void;
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- setBiotype(biotype: string): void;
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+ setMonomerLib(monomerLib: IMonomerLib): void;
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+ setBiotype(biotype: HelmType): void;
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  /**
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  * Calculate which monomer is at the specified coordinates within a WebLogo column
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  */
@@ -122,6 +125,7 @@ export declare class MSAScrollingHeader {
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  private tracks;
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  private currentHoverPosition;
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  private currentHoverTrack;
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+ private currentHoverMonomer;
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  private previousHoverPosition;
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  private previousHoverTrack;
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  private previousHoverMonomer;
@@ -144,7 +148,7 @@ export declare class MSAScrollingHeader {
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  private drawColumnTitle;
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  private clearHoverStates;
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  private redraw;
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- setSelectionData(dataFrame: DG.DataFrame, seqColumn: DG.Column<string>, seqHandler: any, callback?: (position: number, monomer: string) => void): void;
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+ setSelectionData(dataFrame: DG.DataFrame, seqColumn: DG.Column<string>, seqHandler: ISeqHandler, callback?: (position: number, monomer: string) => void): void;
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  setupTooltipHandling(): void;
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  private handleTooltipMouseMove;
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  private handleTooltipMouseLeave;
package/src/utils/sequence-position-scroller.d.ts.map CHANGED
@@ -1 +1 @@
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package/src/utils/sequence-position-scroller.js CHANGED
@@ -8,18 +8,8 @@
8
8
  */
9
9
  import * as ui from 'datagrok-api/ui';
10
10
  import * as DG from 'datagrok-api/dg';
11
- // Layout Constants
12
- // const LAYOUT_CONSTANTS = {
13
- // TITLE_HEIGHT: 16,
14
- // TRACK_GAP: 4,
15
- // DOTTED_CELL_HEIGHT: 30,
16
- // SLIDER_HEIGHT: 8,
17
- // TOP_PADDING: 5,
18
- // DEFAULT_TRACK_HEIGHT: 45,
19
- // MIN_TRACK_HEIGHT: 35,
20
- // TRACK_SELECTOR_SIZE: 20,
21
- // TRACK_SELECTOR_MARGIN: 5
22
- // } as const;
11
+ import { HelmTypes } from '../helm/consts';
12
+ import { buildCompositionTable } from './composition-table';
23
13
  // WebLogo Constants
24
14
  const WEBLOGO_CONSTANTS = {
25
15
  PADDING: 2,
@@ -83,7 +73,7 @@ export class MSAHeaderTrack {
83
73
  init(ctx) {
84
74
  this.ctx = ctx;
85
75
  }
86
- getMonomerAt(x, y, position) {
76
+ getMonomerAt(_x, _y, _position) {
87
77
  return null;
88
78
  }
89
79
  enableTooltip(enabled) {
@@ -92,11 +82,11 @@ export class MSAHeaderTrack {
92
82
  setTooltipContentGenerator(contentGenerator) {
93
83
  this.tooltipContent = contentGenerator;
94
84
  }
95
- getTooltipContent(position) {
85
+ getTooltipContent(position, monomer) {
96
86
  if (!this.tooltipEnabled || !this.tooltipContent)
97
87
  return null;
98
- const positionData = this.getPositionData(position);
99
- return this.tooltipContent(position, positionData);
88
+ const positionData = this.getPositionData(position) ?? new Map();
89
+ return this.tooltipContent(position, monomer, positionData);
100
90
  }
101
91
  /**
102
92
  * Get data for a specific position (to be implemented by subclasses)
@@ -137,7 +127,7 @@ export class WebLogoTrack extends MSAHeaderTrack {
137
127
  super(height, LAYOUT_CONSTANTS.DEFAULT_TRACK_HEIGHT, title);
138
128
  this.data = new Map();
139
129
  this.monomerLib = null;
140
- this.biotype = 'PEPTIDE';
130
+ this.biotype = 'HELM_AA';
141
131
  this.hoveredPosition = -1;
142
132
  this.hoveredMonomer = null;
143
133
  this.data = data;
@@ -152,54 +142,51 @@ export class WebLogoTrack extends MSAHeaderTrack {
152
142
  }
153
143
  setupDefaultTooltip() {
154
144
  this.enableTooltip(true);
155
- this.setTooltipContentGenerator((position, data) => {
156
- return this.createTooltipContent(position, data);
145
+ this.setTooltipContentGenerator((position, monomer, data) => {
146
+ return this.createTooltipContent(position, monomer, data);
157
147
  });
158
148
  }
159
149
  createFrequencyTable(data) {
160
- const sortedResidues = Array.from(data.entries()).sort((a, b) => b[1] - a[1]);
161
- const table = document.createElement('table');
162
- table.style.borderCollapse = 'collapse';
163
- table.style.marginTop = '4px';
164
- table.style.fontSize = '11px';
165
- // Create header
166
- const headerRow = table.insertRow();
167
- const headerCell1 = headerRow.insertCell();
168
- const headerCell2 = headerRow.insertCell();
169
- headerCell1.textContent = 'Residue';
170
- headerCell2.textContent = 'Frequency';
171
- headerCell1.style.fontWeight = 'bold';
172
- headerCell2.style.fontWeight = 'bold';
173
- headerCell1.style.padding = '4px 8px';
174
- headerCell2.style.padding = '4px 8px';
175
- headerCell1.style.borderBottom = '1px solid #ccc';
176
- headerCell2.style.borderBottom = '1px solid #ccc';
177
- for (const [residue, freq] of sortedResidues) {
178
- const row = table.insertRow();
179
- const cell1 = row.insertCell();
180
- const cell2 = row.insertCell();
181
- const backgroundColor = this.getMonomerBackgroundColor(residue);
182
- const textColor = this.getMonomerTextColor(residue);
183
- cell1.textContent = residue;
184
- cell1.style.backgroundColor = backgroundColor;
185
- cell1.style.color = textColor;
186
- cell1.style.textAlign = 'center';
187
- cell1.style.fontWeight = 'bold';
188
- cell1.style.padding = '4px 8px';
189
- cell1.style.border = '1px solid rgba(0,0,0,0.1)';
190
- cell2.textContent = `${(freq * 100).toFixed(0)}%`;
191
- cell2.style.textAlign = 'right';
192
- cell2.style.padding = '4px 8px';
193
- cell2.style.border = '1px solid rgba(0,0,0,0.1)';
150
+ let helmType;
151
+ switch (this.biotype) {
152
+ case 'HELM_BASE':
153
+ case 'HELM_SUGAR':
154
+ case 'HELM_NUCLETIDE':
155
+ helmType = HelmTypes.NUCLEOTIDE;
156
+ break;
157
+ case 'HELM_AA':
158
+ case 'HELM_LINKER':
159
+ default:
160
+ helmType = HelmTypes.AA;
161
+ break;
194
162
  }
163
+ const totalFrequency = Array.from(data.values()).reduce((sum, freq) => sum + freq, 0);
164
+ const displayTotal = 100;
165
+ const counts = {};
166
+ for (const [monomer, frequency] of data.entries())
167
+ counts[monomer] = Math.max(1, Math.round((frequency / totalFrequency) * displayTotal));
168
+ const table = buildCompositionTable(counts, helmType, this.monomerLib);
169
+ table.style.fontSize = '11px';
170
+ table.style.marginTop = '4px';
195
171
  return table;
196
172
  }
197
- createTooltipContent(position, data) {
173
+ createTooltipContent(position, monomer, data) {
198
174
  const tooltipRows = [];
199
175
  tooltipRows.push(ui.divText(`Position: ${position + 1}`, {
200
176
  style: { fontWeight: 'bold', marginBottom: '6px', fontSize: '13px' }
201
177
  }));
178
+ if (monomer) {
179
+ tooltipRows.push(ui.divText(`Monomer: ${monomer}`, {
180
+ style: { marginBottom: '6px', fontSize: '13px' }
181
+ }));
182
+ if (data.has(monomer)) {
183
+ tooltipRows.push(ui.divText(`${(data.get(monomer) * 100).toFixed(2)}%`, {
184
+ style: { marginBottom: '6px', fontSize: '13px' }
185
+ }));
186
+ }
187
+ }
202
188
  if (data && data.size > 0) {
189
+ // Use the datagrok buildCompositionTable
203
190
  const freqTable = this.createFrequencyTable(data);
204
191
  tooltipRows.push(freqTable);
205
192
  }
@@ -208,7 +195,6 @@ export class WebLogoTrack extends MSAHeaderTrack {
208
195
  style: { fontStyle: 'italic', color: '#666' }
209
196
  }));
210
197
  }
211
- // Use the standard tooltip container approach
212
198
  const tooltipEl = ui.divV(tooltipRows);
213
199
  tooltipEl.style.maxHeight = '80vh';
214
200
  return tooltipEl;
@@ -489,6 +475,7 @@ export class MSAScrollingHeader {
489
475
  // Tooltip and hover state
490
476
  this.currentHoverPosition = -1;
491
477
  this.currentHoverTrack = null;
478
+ this.currentHoverMonomer = null;
492
479
  this.previousHoverPosition = -1;
493
480
  this.previousHoverTrack = null;
494
481
  this.previousHoverMonomer = null;
@@ -784,13 +771,14 @@ export class MSAScrollingHeader {
784
771
  }
785
772
  }
786
773
  // Handle tooltips
787
- if (hoveredPosition !== this.currentHoverPosition || hoveredTrackId !== this.currentHoverTrack) {
774
+ if (hoveredPosition !== this.currentHoverPosition || hoveredTrackId !== this.currentHoverTrack || currentHoverMonomer !== this.currentHoverMonomer) {
788
775
  this.currentHoverPosition = hoveredPosition;
789
776
  this.currentHoverTrack = hoveredTrackId;
777
+ this.currentHoverMonomer = currentHoverMonomer;
790
778
  if (hoveredTrackId) {
791
779
  const track = this.tracks.get(hoveredTrackId);
792
780
  if (track) {
793
- const tooltipContent = track.getTooltipContent(hoveredPosition);
781
+ const tooltipContent = track.getTooltipContent(hoveredPosition, currentHoverMonomer);
794
782
  if (tooltipContent) {
795
783
  ui.tooltip.show(tooltipContent, e.clientX + 16, e.clientY + 16);
796
784
  return;
package/src/utils/sequence-position-scroller.js.map CHANGED
@@ -1 +1 @@
1
- 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