@datagrok-libraries/bio 5.39.8 → 5.39.10
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/package.json +6 -3
- package/src/pdb/auto-dock-service.d.ts +40 -0
- package/src/pdb/auto-dock-service.d.ts.map +1 -0
- package/src/pdb/auto-dock-service.js +49 -0
- package/src/pdb/auto-dock-service.js.map +1 -0
- package/src/pdb/pdb-helper.d.ts +3 -0
- package/src/pdb/pdb-helper.d.ts.map +1 -1
- package/src/pdb/pdb-helper.js.map +1 -1
- package/src/pdb/types.d.ts +19 -0
- package/src/pdb/types.d.ts.map +1 -0
- package/src/pdb/types.js +21 -0
- package/src/pdb/types.js.map +1 -0
- package/src/types/renderer.d.ts +8 -0
- package/src/types/renderer.d.ts.map +1 -0
- package/src/types/renderer.js +2 -0
- package/src/types/renderer.js.map +1 -0
- package/src/utils/docker.d.ts +4 -0
- package/src/utils/docker.d.ts.map +1 -0
- package/src/utils/docker.js +30 -0
- package/src/utils/docker.js.map +1 -0
- package/src/utils/err-info.d.ts +4 -0
- package/src/utils/err-info.d.ts.map +1 -0
- package/src/utils/err-info.js +23 -0
- package/src/utils/err-info.js.map +1 -0
- package/src/utils/poly-tool/monomer-lib-handler.js +2 -2
- package/src/utils/poly-tool/monomer-lib-handler.js.map +1 -1
- package/src/utils/syncer.d.ts +20 -0
- package/src/utils/syncer.d.ts.map +1 -0
- package/src/utils/syncer.js +29 -0
- package/src/utils/syncer.js.map +1 -0
- package/src/utils/units-handler.d.ts +1 -0
- package/src/utils/units-handler.d.ts.map +1 -1
- package/src/utils/units-handler.js +14 -10
- package/src/utils/units-handler.js.map +1 -1
- package/src/viewers/molstar-viewer.d.ts +2 -8
- package/src/viewers/molstar-viewer.d.ts.map +1 -1
- package/src/viewers/molstar-viewer.js +2 -1
- package/src/viewers/molstar-viewer.js.map +1 -1
- package/src/viewers/ngl-gl-service.d.ts +30 -0
- package/src/viewers/ngl-gl-service.d.ts.map +1 -0
- package/src/viewers/ngl-gl-service.js +11 -0
- package/src/viewers/ngl-gl-service.js.map +1 -0
- package/src/viewers/ngl-gl-viewer.d.ts +3 -23
- package/src/viewers/ngl-gl-viewer.d.ts.map +1 -1
- package/src/viewers/ngl-gl-viewer.js +2 -10
- package/src/viewers/ngl-gl-viewer.js.map +1 -1
- package/src/viewers/viewer.d.ts +2 -1
- package/src/viewers/viewer.d.ts.map +1 -1
package/package.json
CHANGED
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@@ -8,22 +8,25 @@
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"access": "public"
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},
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"friendlyName": "Datagrok bio library",
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-
"version": "5.39.
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+
"version": "5.39.10",
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"description": "",
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"dependencies": {
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-
"@datagrok-libraries/gridext": "^1.3.
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"@datagrok-libraries/utils": "^4.1.
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"@datagrok-libraries/gridext": "^1.3.68",
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"@datagrok-libraries/utils": "^4.1.34",
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"@datagrok-libraries/ml": "^6.3.48",
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"@deck.gl/core": "8.8.12",
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"cash-dom": "latest",
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"datagrok-api": "^1.13.3",
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"dayjs": "latest",
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"fastest-levenshtein": "^1.0.16",
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"js-base64": "^3.7.5",
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"mjolnir.js": "^2.7.0",
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"rxjs": "^6.5.5",
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"uuid": "^9.0.1",
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"wu": "latest"
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},
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"devDependencies": {
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"@types/uuid": "^9.0.1",
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"@types/wu": "latest",
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"@typescript-eslint/eslint-plugin": "latest",
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"@typescript-eslint/parser": "latest",
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@@ -0,0 +1,40 @@
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import * as DG from 'datagrok-api/dg';
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import { BiostructureData } from './types';
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import { DockerContainerStatus } from '../utils/docker';
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export declare enum AutoDockErrorLevel {
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Info = 0,
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Warning = 1,
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Error = 2
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}
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export declare class AutoDockError extends Error {
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readonly level: AutoDockErrorLevel;
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constructor(level: AutoDockErrorLevel, message: string);
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}
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export declare class AutoDock {
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static error(message: string): AutoDockError;
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static warning(message: string): AutoDockError;
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static info(message: string): AutoDockError;
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}
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/** Number of grid points. Each must be an event integer number. */
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export declare class GridSize {
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readonly x: number;
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readonly y: number;
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readonly z: number;
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constructor(x: number, y: number, z: number);
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}
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export type AutoDockRunResult = {
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posesDf: DG.DataFrame;
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};
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export interface IAutoDockService {
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get ready(): boolean;
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awaitStatus(targetStatus: DockerContainerStatus, timeout?: number): Promise<void>;
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startDockerContainer(timeout?: number): Promise<void>;
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/**
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* @param receptor PDB string of target (receptor) structure
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* @param ligand PDB or mol structure of the ligand to be docked
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* @param npts Grid
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*/
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run(receptor: string, ligand: BiostructureData, npts: GridSize, poseCount?: number, posColName?: string): Promise<AutoDockRunResult>;
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}
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export declare function getAutoDockService(): Promise<IAutoDockService>;
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//# sourceMappingURL=auto-dock-service.d.ts.map
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@@ -0,0 +1 @@
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{"version":3,"file":"auto-dock-service.d.ts","sourceRoot":"","sources":["auto-dock-service.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,gBAAgB,EAAC,MAAM,SAAS,CAAC;AACzC,OAAO,EAAC,qBAAqB,EAAC,MAAM,iBAAiB,CAAC;AAEtD,oBAAY,kBAAkB;IAAG,IAAI,IAAA;IAAE,OAAO,IAAA;IAAE,KAAK,IAAA;CAAC;AAEtD,qBAAa,aAAc,SAAQ,KAAK;aAEpB,KAAK,EAAE,kBAAkB;gBAAzB,KAAK,EAAE,kBAAkB,EACzC,OAAO,EAAE,MAAM;CAIlB;AAED,qBAAa,QAAQ;IACnB,MAAM,CAAC,KAAK,CAAC,OAAO,EAAE,MAAM,GAAG,aAAa;IAI5C,MAAM,CAAC,OAAO,CAAC,OAAO,EAAE,MAAM,GAAG,aAAa;IAI9C,MAAM,CAAC,IAAI,CAAC,OAAO,EAAE,MAAM,GAAG,aAAa;CAG5C;AAED,oEAAoE;AACpE,qBAAa,QAAQ;aAED,CAAC,EAAE,MAAM;aACT,CAAC,EAAE,MAAM;aACT,CAAC,EAAE,MAAM;gBAFT,CAAC,EAAE,MAAM,EACT,CAAC,EAAE,MAAM,EACT,CAAC,EAAE,MAAM;CAM5B;AAED,MAAM,MAAM,iBAAiB,GAAG;IAC9B,OAAO,EAAE,EAAE,CAAC,SAAS,CAAA;CACtB,CAAC;AAEF,MAAM,WAAW,gBAAgB;IAC/B,IAAI,KAAK,IAAI,OAAO,CAAC;IAErB,WAAW,CAAC,YAAY,EAAE,qBAAqB,EAAE,OAAO,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAElF,oBAAoB,CAAC,OAAO,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAEtD;;;;OAIG;IACH,GAAG,CACD,QAAQ,EAAE,MAAM,EAAE,MAAM,EAAE,gBAAgB,EAAE,IAAI,EAAE,QAAQ,EAAE,SAAS,CAAC,EAAE,MAAM,EAC9E,UAAU,CAAC,EAAE,MAAM,GAClB,OAAO,CAAC,iBAAiB,CAAC,CAAC;CAC/B;AAED,wBAAsB,kBAAkB,IAAI,OAAO,CAAC,gBAAgB,CAAC,CAQpE"}
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@@ -0,0 +1,49 @@
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import * as DG from 'datagrok-api/dg';
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export var AutoDockErrorLevel;
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(function (AutoDockErrorLevel) {
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AutoDockErrorLevel[AutoDockErrorLevel["Info"] = 0] = "Info";
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AutoDockErrorLevel[AutoDockErrorLevel["Warning"] = 1] = "Warning";
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AutoDockErrorLevel[AutoDockErrorLevel["Error"] = 2] = "Error";
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})(AutoDockErrorLevel || (AutoDockErrorLevel = {}));
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;
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export class AutoDockError extends Error {
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constructor(level, message) {
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super(message);
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this.level = level;
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}
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}
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export class AutoDock {
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static error(message) {
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return new AutoDockError(AutoDockErrorLevel.Error, message);
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}
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static warning(message) {
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return new AutoDockError(AutoDockErrorLevel.Warning, message);
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}
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static info(message) {
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return new AutoDockError(AutoDockErrorLevel.Info, message);
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}
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}
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/** Number of grid points. Each must be an event integer number. */
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export class GridSize {
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constructor(x, y, z) {
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this.x = x;
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this.y = y;
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this.z = z;
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if (x % 2 !== 0)
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throw AutoDock.error('Grid number x must be even.');
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if (y % 2 !== 0)
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throw AutoDock.error('Grid number y must be even.');
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if (z % 2 !== 0)
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throw AutoDock.error('Grid number z must be even.');
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}
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}
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export async function getAutoDockService() {
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const packageName = 'BiostructureViewer';
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const funcName = 'getAutoDockService';
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const funcList = DG.Func.find({ package: packageName, name: funcName });
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if (funcList.length === 0)
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throw new Error(`Package '${packageName}' must be installed for AutoDock service.`);
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const res = (await funcList[0].prepare().call()).getOutputParamValue();
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return res;
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}
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//# sourceMappingURL=auto-dock-service.js.map
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{"version":3,"file":"auto-dock-service.js","sourceRoot":"","sources":["auto-dock-service.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAKtC,MAAM,CAAN,IAAY,kBAA0C;AAAtD,WAAY,kBAAkB;IAAG,2DAAI,CAAA;IAAE,iEAAO,CAAA;IAAE,6DAAK,CAAA;AAAA,CAAC,EAA1C,kBAAkB,KAAlB,kBAAkB,QAAwB;AAAA,CAAC;AAEvD,MAAM,OAAO,aAAc,SAAQ,KAAK;IACtC,YACkB,KAAyB,EACzC,OAAe;QAEf,KAAK,CAAC,OAAO,CAAC,CAAC;QAHC,UAAK,GAAL,KAAK,CAAoB;IAI3C,CAAC;CACF;AAED,MAAM,OAAO,QAAQ;IACnB,MAAM,CAAC,KAAK,CAAC,OAAe;QAC1B,OAAO,IAAI,aAAa,CAAC,kBAAkB,CAAC,KAAK,EAAE,OAAO,CAAC,CAAC;IAC9D,CAAC;IAED,MAAM,CAAC,OAAO,CAAC,OAAe;QAC5B,OAAO,IAAI,aAAa,CAAC,kBAAkB,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC;IAChE,CAAC;IAED,MAAM,CAAC,IAAI,CAAC,OAAe;QACzB,OAAO,IAAI,aAAa,CAAC,kBAAkB,CAAC,IAAI,EAAE,OAAO,CAAC,CAAC;IAC7D,CAAC;CACF;AAED,oEAAoE;AACpE,MAAM,OAAO,QAAQ;IACnB,YACkB,CAAS,EACT,CAAS,EACT,CAAS;QAFT,MAAC,GAAD,CAAC,CAAQ;QACT,MAAC,GAAD,CAAC,CAAQ;QACT,MAAC,GAAD,CAAC,CAAQ;QAEzB,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC;YAAE,MAAM,QAAQ,CAAC,KAAK,CAAC,6BAA6B,CAAC,CAAC;QACrE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC;YAAE,MAAM,QAAQ,CAAC,KAAK,CAAC,6BAA6B,CAAC,CAAC;QACrE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC;YAAE,MAAM,QAAQ,CAAC,KAAK,CAAC,6BAA6B,CAAC,CAAC;IACvE,CAAC;CACF;AAwBD,MAAM,CAAC,KAAK,UAAU,kBAAkB;IACtC,MAAM,WAAW,GAAW,oBAAoB,CAAC;IACjD,MAAM,QAAQ,GAAW,oBAAoB,CAAC;IAC9C,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,WAAW,EAAE,IAAI,EAAE,QAAQ,EAAC,CAAC,CAAC;IACtE,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QACvB,MAAM,IAAI,KAAK,CAAC,YAAY,WAAW,2CAA2C,CAAC,CAAC;IACtF,MAAM,GAAG,GAAqB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAE,CAAC;IACzF,OAAO,GAAG,CAAC;AACb,CAAC"}
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package/src/pdb/pdb-helper.d.ts
CHANGED
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};
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export interface IPdbHelper {
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pdbToDf(pdb: string, name: string): Promise<PdbResDataFrameType>;
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parsePdbqt(pdbqtStr: string, molColName?: string): DG.DataFrame;
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molToPdb(mol: string): Promise<string>;
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pdbqtToMol(pdbqt: string): Promise<string>;
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}
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export declare function getPdbHelper(): Promise<IPdbHelper>;
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//# sourceMappingURL=pdb-helper.d.ts.map
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{"version":3,"file":"pdb-helper.d.ts","sourceRoot":"","sources":["pdb-helper.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,MAAM,MAAM,mBAAmB,GAAG,EAAE,CAAC,SAAS,GAAG;IAC/C,IAAI,IAAI,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC9B,IAAI,MAAM,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAChC,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC/B,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAA;IAC9B,IAAI,GAAG,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC7B,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;CAChC,CAAC;AAEF,MAAM,WAAW,UAAU;IACzB,OAAO,CAAC,GAAG,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,GAAG,OAAO,CAAC,mBAAmB,CAAC,CAAC;
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{"version":3,"file":"pdb-helper.d.ts","sourceRoot":"","sources":["pdb-helper.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,MAAM,MAAM,mBAAmB,GAAG,EAAE,CAAC,SAAS,GAAG;IAC/C,IAAI,IAAI,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC9B,IAAI,MAAM,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAChC,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC/B,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAA;IAC9B,IAAI,GAAG,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;IAC7B,IAAI,KAAK,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;CAChC,CAAC;AAEF,MAAM,WAAW,UAAU;IACzB,OAAO,CAAC,GAAG,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,GAAG,OAAO,CAAC,mBAAmB,CAAC,CAAC;IAEjE,UAAU,CAAC,QAAQ,EAAE,MAAM,EAAE,UAAU,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,SAAS,CAAC;IAEhE,QAAQ,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC;IAEvC,UAAU,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC;CAC5C;AAED,wBAAsB,YAAY,IAAI,OAAO,CAAC,UAAU,CAAC,CAQxD"}
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{"version":3,"file":"pdb-helper.js","sourceRoot":"","sources":["pdb-helper.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;
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{"version":3,"file":"pdb-helper.js","sourceRoot":"","sources":["pdb-helper.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAqBtC,MAAM,CAAC,KAAK,UAAU,YAAY;IAChC,MAAM,WAAW,GAAG,oBAAoB,CAAC;IACzC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,WAAW,EAAE,IAAI,EAAE,cAAc,EAAC,CAAC,CAAC;IAC5E,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QACvB,MAAM,IAAI,KAAK,CAAC,YAAY,WAAW,oCAAoC,CAAC,CAAC;IAE/E,MAAM,GAAG,GAAe,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAgB,CAAC;IACjG,OAAO,GAAG,CAAC;AACb,CAAC"}
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export type BiostructureData = {
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binary: boolean;
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3
|
+
ext: string;
|
|
4
|
+
data: string | Uint8Array;
|
|
5
|
+
options?: {
|
|
6
|
+
name?: string;
|
|
7
|
+
dataLabel?: string;
|
|
8
|
+
};
|
|
9
|
+
};
|
|
10
|
+
/**
|
|
11
|
+
* Viewer does not support a property of type extending String event completely compatible
|
|
12
|
+
*/
|
|
13
|
+
export declare class BiostructureDataJson extends String {
|
|
14
|
+
protected constructor(value: string);
|
|
15
|
+
static null: string;
|
|
16
|
+
static fromData(src: BiostructureData): string;
|
|
17
|
+
static toData(src: string): BiostructureData;
|
|
18
|
+
}
|
|
19
|
+
//# sourceMappingURL=types.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAMA,MAAM,MAAM,gBAAgB,GAAG;IAC7B,MAAM,EAAE,OAAO,CAAC;IAChB,GAAG,EAAE,MAAM,CAAC;IACZ,IAAI,EAAE,MAAM,GAAG,UAAU,CAAC;IAC1B,OAAO,CAAC,EAAE;QAAE,IAAI,CAAC,EAAE,MAAM,CAAC;QAAC,SAAS,CAAC,EAAE,MAAM,CAAC;KAAE,CAAC;CAClD,CAAA;AAED;;GAEG;AACH,qBAAa,oBAAqB,SAAQ,MAAM;IAC9C,SAAS,aAAa,KAAK,EAAE,MAAM;IAInC,MAAM,CAAC,IAAI,SAAU;IAErB,MAAM,CAAC,QAAQ,CAAC,GAAG,EAAE,gBAAgB,GAAG,MAAM;IAK9C,MAAM,CAAC,MAAM,CAAC,GAAG,EAAE,MAAM,GAAG,gBAAgB;CAK7C"}
|
package/src/pdb/types.js
ADDED
|
@@ -0,0 +1,21 @@
|
|
|
1
|
+
import { Base64 } from 'js-base64';
|
|
2
|
+
/**
|
|
3
|
+
* Viewer does not support a property of type extending String event completely compatible
|
|
4
|
+
*/
|
|
5
|
+
export class BiostructureDataJson extends String {
|
|
6
|
+
constructor(value) {
|
|
7
|
+
super(value);
|
|
8
|
+
}
|
|
9
|
+
static fromData(src) {
|
|
10
|
+
const dataStr = src.binary ? Base64.fromUint8Array(src.data) : src.data;
|
|
11
|
+
return JSON.stringify({ data: dataStr, ext: src.ext, binary: src.binary, options: src.options });
|
|
12
|
+
}
|
|
13
|
+
static toData(src) {
|
|
14
|
+
const data = JSON.parse(src);
|
|
15
|
+
if (data)
|
|
16
|
+
data.data = data.binary ? Base64.toUint8Array(data.data) : data.data;
|
|
17
|
+
return data;
|
|
18
|
+
}
|
|
19
|
+
}
|
|
20
|
+
BiostructureDataJson.null = 'null';
|
|
21
|
+
//# sourceMappingURL=types.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"types.js","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,MAAM,EAAC,MAAM,WAAW,CAAC;AASjC;;GAEG;AACH,MAAM,OAAO,oBAAqB,SAAQ,MAAM;IAC9C,YAAsB,KAAa;QACjC,KAAK,CAAC,KAAK,CAAC,CAAC;IACf,CAAC;IAID,MAAM,CAAC,QAAQ,CAAC,GAAqB;QACnC,MAAM,OAAO,GAAG,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,cAAc,CAAC,GAAG,CAAC,IAAkB,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,IAAc,CAAC;QAChG,OAAO,IAAI,CAAC,SAAS,CAAC,EAAC,IAAI,EAAE,OAAO,EAAE,GAAG,EAAE,GAAG,CAAC,GAAG,EAAE,MAAM,EAAE,GAAG,CAAC,MAAM,EAAE,OAAO,EAAE,GAAG,CAAC,OAAO,EAAC,CAAC,CAAC;IACjG,CAAC;IAED,MAAM,CAAC,MAAM,CAAC,GAAW;QACvB,MAAM,IAAI,GAAG,IAAI,CAAC,KAAK,CAAC,GAAwB,CAAC,CAAC;QAClD,IAAI,IAAI;YAAE,IAAI,CAAC,IAAI,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,YAAY,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC;QAC/E,OAAO,IAAI,CAAC;IACd,CAAC;;AAXM,yBAAI,GAAG,MAAM,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"renderer.d.ts","sourceRoot":"","sources":["renderer.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,UAAU,EAAC,MAAM,MAAM,CAAC;AAEhC,MAAM,WAAW,SAAS;IACxB,IAAI,UAAU,IAAI,UAAU,CAAC,IAAI,CAAC,CAAC;IAEnC,UAAU,IAAI,IAAI,CAAC;IAEnB,sCAAsC;IACtC,aAAa,CAAC,OAAO,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;CAChD"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"renderer.js","sourceRoot":"","sources":["renderer.ts"],"names":[],"mappings":""}
|
|
@@ -0,0 +1,4 @@
|
|
|
1
|
+
import { ILogger } from './syncer';
|
|
2
|
+
export type DockerContainerStatus = 'stopped' | 'started' | 'pending change' | 'changing' | 'error' | 'checking';
|
|
3
|
+
export declare function awaitStatus(dcId: string, targetStatus: DockerContainerStatus, timeout: number | undefined, logger: ILogger): Promise<void>;
|
|
4
|
+
//# sourceMappingURL=docker.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"docker.d.ts","sourceRoot":"","sources":["docker.ts"],"names":[],"mappings":"AAKA,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AAGjC,MAAM,MAAM,qBAAqB,GAAG,SAAS,GAAG,SAAS,GAAG,gBAAgB,GAAG,UAAU,GAAG,OAAO,GAAG,UAAU,CAAC;AAEjH,wBAAsB,WAAW,CAC/B,IAAI,EAAE,MAAM,EAAE,YAAY,EAAE,qBAAqB,EAAE,OAAO,oBAAgB,EAAE,MAAM,EAAE,OAAO,GAC1F,OAAO,CAAC,IAAI,CAAC,CAwBf"}
|
|
@@ -0,0 +1,30 @@
|
|
|
1
|
+
import * as grok from 'datagrok-api/grok';
|
|
2
|
+
import { Subject } from 'rxjs';
|
|
3
|
+
import { testEvent } from '@datagrok-libraries/utils/src/test';
|
|
4
|
+
export async function awaitStatus(dcId, targetStatus, timeout = 30000, logger) {
|
|
5
|
+
const t1 = window.performance.now();
|
|
6
|
+
const event = new Subject();
|
|
7
|
+
const pollingHandler = async () => {
|
|
8
|
+
const dc = await grok.dapi.docker.dockerContainers.find(dcId);
|
|
9
|
+
if (dc.status === targetStatus)
|
|
10
|
+
event.next(dc);
|
|
11
|
+
return dc;
|
|
12
|
+
};
|
|
13
|
+
let interval;
|
|
14
|
+
try {
|
|
15
|
+
await testEvent(event, (dc) => {
|
|
16
|
+
const t2 = window.performance.now();
|
|
17
|
+
logger.debug(`awaitStatus(), ` +
|
|
18
|
+
`docker container ('${dc.name}') GET status = '${targetStatus}' in ${t2 - t1} ms.`);
|
|
19
|
+
}, async () => {
|
|
20
|
+
const dc = await pollingHandler(); // -> event
|
|
21
|
+
logger.debug(`awaitStatus(), ` +
|
|
22
|
+
`docker container ('${dc.name}') HAS status = '${dc.status}'.`);
|
|
23
|
+
interval = window.setInterval(pollingHandler, 200);
|
|
24
|
+
}, timeout);
|
|
25
|
+
}
|
|
26
|
+
finally {
|
|
27
|
+
window.clearInterval(interval);
|
|
28
|
+
}
|
|
29
|
+
}
|
|
30
|
+
//# sourceMappingURL=docker.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"docker.js","sourceRoot":"","sources":["docker.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,IAAI,MAAM,mBAAmB,CAAC;AAG1C,OAAO,EAAC,OAAO,EAAC,MAAM,MAAM,CAAC;AAC7B,OAAO,EAAC,SAAS,EAAC,MAAM,oCAAoC,CAAC;AAM7D,MAAM,CAAC,KAAK,UAAU,WAAW,CAC/B,IAAY,EAAE,YAAmC,EAAE,UAAkB,KAAK,EAAE,MAAe;IAE3F,MAAM,EAAE,GAAW,MAAM,CAAC,WAAW,CAAC,GAAG,EAAE,CAAC;IAC5C,MAAM,KAAK,GAAG,IAAI,OAAO,EAAsB,CAAC;IAChD,MAAM,cAAc,GAAG,KAAK,IAAiC,EAAE;QAC7D,MAAM,EAAE,GAAG,MAAM,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,gBAAgB,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QAC9D,IAAI,EAAE,CAAC,MAAM,KAAK,YAAY;YAC5B,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACjB,OAAO,EAAE,CAAC;IACZ,CAAC,CAAC;IACF,IAAI,QAAiB,CAAC;IACtB,IAAI;QACF,MAAM,SAAS,CAAC,KAAK,EAAE,CAAC,EAAE,EAAE,EAAE;YAC5B,MAAM,EAAE,GAAW,MAAM,CAAC,WAAW,CAAC,GAAG,EAAE,CAAC;YAC5C,MAAM,CAAC,KAAK,CAAC,iBAAiB;gBAC5B,sBAAsB,EAAE,CAAC,IAAI,oBAAoB,YAAY,QAAQ,EAAE,GAAG,EAAE,MAAM,CAAC,CAAC;QACxF,CAAC,EAAE,KAAK,IAAI,EAAE;YACZ,MAAM,EAAE,GAAG,MAAM,cAAc,EAAE,CAAC,CAAC,WAAW;YAC9C,MAAM,CAAC,KAAK,CAAC,iBAAiB;gBAC5B,sBAAsB,EAAE,CAAC,IAAI,oBAAoB,EAAE,CAAC,MAAM,IAAI,CAAC,CAAC;YAClE,QAAQ,GAAG,MAAM,CAAC,WAAW,CAAC,cAAc,EAAE,GAAG,CAAC,CAAC;QACrD,CAAC,EAAE,OAAO,CAAC,CAAC;KACb;YAAS;QACR,MAAM,CAAC,aAAa,CAAC,QAAQ,CAAC,CAAC;KAChC;AACH,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"err-info.d.ts","sourceRoot":"","sources":["err-info.ts"],"names":[],"mappings":"AAIA,wBAAgB,MAAM,CAAC,GAAG,EAAE,GAAG,GAAG,MAAM,CAWvC;AAED,wBAAgB,QAAQ,CAAC,GAAG,EAAE,GAAG,GAAG,MAAM,GAAG,SAAS,CAMrD;AAED,wBAAgB,OAAO,CAAC,GAAG,EAAE,GAAG,GAAG,CAAC,MAAM,EAAE,MAAM,GAAG,SAAS,CAAC,CAE9D"}
|
|
@@ -0,0 +1,23 @@
|
|
|
1
|
+
export function errMsg(err) {
|
|
2
|
+
if (typeof err === 'string' || err instanceof String)
|
|
3
|
+
return err;
|
|
4
|
+
else if (err.constructor.name === 'StateError')
|
|
5
|
+
return err['message'];
|
|
6
|
+
else if (err.constructor.name === 'StateError' && '$thrownJsError' in err)
|
|
7
|
+
return errMsg(err['$thrownJsError']);
|
|
8
|
+
else if (err instanceof Error)
|
|
9
|
+
return err.message;
|
|
10
|
+
else
|
|
11
|
+
return err.toString();
|
|
12
|
+
}
|
|
13
|
+
export function errStack(err) {
|
|
14
|
+
if (err instanceof Error)
|
|
15
|
+
return err.stack;
|
|
16
|
+
else if (err.constructor.name === 'StateError' && '$thrownJsError' in err)
|
|
17
|
+
return errStack(err['$thrownJsError']);
|
|
18
|
+
return undefined;
|
|
19
|
+
}
|
|
20
|
+
export function errInfo(err) {
|
|
21
|
+
return [errMsg(err), errStack(err)];
|
|
22
|
+
}
|
|
23
|
+
//# sourceMappingURL=err-info.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"err-info.js","sourceRoot":"","sources":["err-info.ts"],"names":[],"mappings":"AAIA,MAAM,UAAU,MAAM,CAAC,GAAQ;IAC7B,IAAI,OAAO,GAAG,KAAK,QAAQ,IAAI,GAAG,YAAY,MAAM;QAClD,OAAO,GAAa,CAAC;SAClB,IAAI,GAAG,CAAC,WAAW,CAAC,IAAI,KAAK,YAAY;QAC5C,OAAO,GAAG,CAAC,SAAS,CAAC,CAAC;SACnB,IAAI,GAAG,CAAC,WAAW,CAAC,IAAI,KAAK,YAAY,IAAI,gBAAgB,IAAI,GAAG;QACvE,OAAO,MAAM,CAAC,GAAG,CAAC,gBAAgB,CAAC,CAAC,CAAC;SAClC,IAAI,GAAG,YAAY,KAAK;QAC3B,OAAQ,GAAa,CAAC,OAAO,CAAC;;QAE9B,OAAO,GAAG,CAAC,QAAQ,EAAE,CAAC;AAC1B,CAAC;AAED,MAAM,UAAU,QAAQ,CAAC,GAAQ;IAC/B,IAAI,GAAG,YAAY,KAAK;QACtB,OAAO,GAAG,CAAC,KAAK,CAAC;SACd,IAAI,GAAG,CAAC,WAAW,CAAC,IAAI,KAAK,YAAY,IAAI,gBAAgB,IAAI,GAAG;QACvE,OAAO,QAAQ,CAAC,GAAG,CAAC,gBAAgB,CAAC,CAAC,CAAC;IACzC,OAAO,SAAS,CAAC;AACnB,CAAC;AAED,MAAM,UAAU,OAAO,CAAC,GAAQ;IAC9B,OAAO,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC;AACtC,CAAC"}
|
|
@@ -42,9 +42,9 @@ export class PolyToolMonomerLibHandler {
|
|
|
42
42
|
}
|
|
43
43
|
class SmilesHandler {
|
|
44
44
|
constructor(rawSmiles) {
|
|
45
|
-
const regex =
|
|
45
|
+
const regex = /\[R(\d+)\]/g;
|
|
46
46
|
let i = 0;
|
|
47
|
-
this.smilesWithRGroups = rawSmiles.replace(regex, (
|
|
47
|
+
this.smilesWithRGroups = rawSmiles.replace(regex, (_, capturedDigit) => { ++i; return `[${capturedDigit}*]`; });
|
|
48
48
|
this.numberOfRGroups = i;
|
|
49
49
|
}
|
|
50
50
|
getSmilesWithRGroups() {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"monomer-lib-handler.js","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAGA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EACQ,+BAA+B,EAAE,aAAa,EAAE,mBAAmB,EACjF,MAAM,mBAAmB,CAAC;AAG3B,MAAM,OAAO,yBAAyB;IACpC,YAAoB,MAAa;QAAb,WAAM,GAAN,MAAM,CAAO;IAAI,CAAC;IAEtC,OAAO;QACL,OAAO,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;YACjC,OAAO,OAAO,KAAK,KAAK,QAAQ;gBAC9B,MAAM,CAAC,MAAM,CAAC,+BAA+B,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;oBAC7D,OAAO,KAAK,IAAI,KAAK;wBACnB,OAAO,KAAK,CAAC,KAAK,CAAC,KAAK,QAAQ,CAAC;gBACrC,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;IACL,CAAC;IAED,iBAAiB;QACf,MAAM,SAAS,GAAU,EAAE,CAAC;QAC5B,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,UAAU,EAAE,EAAE;YACjC,MAAM,OAAO,GAAG,IAAI,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC;YAChD,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;QAC1B,CAAC,CAAC,CAAC;QACH,OAAO,SAAS,CAAC;IACnB,CAAC;IAEO,cAAc,CAAC,UAAe;QACpC,MAAM,OAAO,GAAY,EAAC,GAAG,aAAa,EAAC,CAAC;QAE5C,MAAM,CAAC,OAAO,CAAC,+BAA+B,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE,EAAE;YACvE,MAAM,aAAa,GAAG,UAAU,CAAC,KAAK,CAAW,CAAC;YAClD,YAAY;YACZ,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC;QAC/B,CAAC,CAAC,CAAC;QAEH,IAAI,GAAG,oCAAqB,CAAC;QAC7B,MAAM,SAAS,GAAG,UAAU,CAAC,+BAA+B,CAAC,GAAG,CAAC,CAAC,CAAC;QACnE,MAAM,aAAa,GAAG,IAAI,aAAa,CAAC,SAAS,CAAC,CAAC;QACnD,MAAM,MAAM,GAAG,aAAa,CAAC,eAAe,EAAE,CAAC;QAC/C,OAAO,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC;QAEtB,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC,UAAU,CAAC,aAAa,CAAC,kBAAkB,EAAE,CAAC,CAAC;QAE5E,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,eAAe,CAAC,aAAa,CAAC,oBAAoB,EAAE,CAAC,CAAC,UAAU,EAAE,CAAC;QAEtF,OAAO,OAAO,CAAC;IACjB,CAAC;CACF;AAED,MAAM,aAAa;IACjB,YAAY,SAAiB;QAC3B,MAAM,KAAK,GAAG,
|
|
1
|
+
{"version":3,"file":"monomer-lib-handler.js","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAGA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EACQ,+BAA+B,EAAE,aAAa,EAAE,mBAAmB,EACjF,MAAM,mBAAmB,CAAC;AAG3B,MAAM,OAAO,yBAAyB;IACpC,YAAoB,MAAa;QAAb,WAAM,GAAN,MAAM,CAAO;IAAI,CAAC;IAEtC,OAAO;QACL,OAAO,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;YACjC,OAAO,OAAO,KAAK,KAAK,QAAQ;gBAC9B,MAAM,CAAC,MAAM,CAAC,+BAA+B,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;oBAC7D,OAAO,KAAK,IAAI,KAAK;wBACnB,OAAO,KAAK,CAAC,KAAK,CAAC,KAAK,QAAQ,CAAC;gBACrC,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;IACL,CAAC;IAED,iBAAiB;QACf,MAAM,SAAS,GAAU,EAAE,CAAC;QAC5B,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,UAAU,EAAE,EAAE;YACjC,MAAM,OAAO,GAAG,IAAI,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC;YAChD,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;QAC1B,CAAC,CAAC,CAAC;QACH,OAAO,SAAS,CAAC;IACnB,CAAC;IAEO,cAAc,CAAC,UAAe;QACpC,MAAM,OAAO,GAAY,EAAC,GAAG,aAAa,EAAC,CAAC;QAE5C,MAAM,CAAC,OAAO,CAAC,+BAA+B,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE,EAAE;YACvE,MAAM,aAAa,GAAG,UAAU,CAAC,KAAK,CAAW,CAAC;YAClD,YAAY;YACZ,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC;QAC/B,CAAC,CAAC,CAAC;QAEH,IAAI,GAAG,oCAAqB,CAAC;QAC7B,MAAM,SAAS,GAAG,UAAU,CAAC,+BAA+B,CAAC,GAAG,CAAC,CAAC,CAAC;QACnE,MAAM,aAAa,GAAG,IAAI,aAAa,CAAC,SAAS,CAAC,CAAC;QACnD,MAAM,MAAM,GAAG,aAAa,CAAC,eAAe,EAAE,CAAC;QAC/C,OAAO,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC;QAEtB,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC,UAAU,CAAC,aAAa,CAAC,kBAAkB,EAAE,CAAC,CAAC;QAE5E,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,eAAe,CAAC,aAAa,CAAC,oBAAoB,EAAE,CAAC,CAAC,UAAU,EAAE,CAAC;QAEtF,OAAO,OAAO,CAAC;IACjB,CAAC;CACF;AAED,MAAM,aAAa;IACjB,YAAY,SAAiB;QAC3B,MAAM,KAAK,GAAG,aAAa,CAAC;QAC5B,IAAI,CAAC,GAAG,CAAC,CAAC;QACV,IAAI,CAAC,iBAAiB,GAAG,SAAS,CAAC,OAAO,CAAC,KAAK,EAAE,CAAC,CAAC,EAAE,aAAa,EAAE,EAAE,GAAG,EAAE,CAAC,CAAC,CAAC,OAAO,IAAI,aAAa,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;QAChH,IAAI,CAAC,eAAe,GAAG,CAAC,CAAC;IAC3B,CAAC;IAKD,oBAAoB;QAClB,OAAO,IAAI,CAAC,iBAAiB,CAAC;IAChC,CAAC;IAED,eAAe;QACb,MAAM,MAAM,GAAG,IAAI,CAAC,UAAU,EAAE,CAAC;QACjC,OAAO,MAAM,CAAC;IAChB,CAAC;IAED,kBAAkB;QAChB,OAAO,IAAI,CAAC,eAAe,CAAC;IAC9B,CAAC;IAEO,UAAU;QAChB,IAAI,MAAM,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;QAC7D,MAAM,GAAG,MAAM,CAAC,OAAO,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC;QAC1C,OAAO,MAAM,CAAC,OAAO,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;IACzC,CAAC;CACF;AAED,MAAM,aAAa;IACjB,gBAAuB,CAAC;IAAA,CAAC;IAEzB,MAAM,CAAC,UAAU,CAAC,eAAuB;QACvC,OAAO,mBAAmB,CAAC,KAAK,CAAC,CAAC,EAAE,eAAe,CAAC,CAAC;IACvD,CAAC;CACF;AAED,MAAM,eAAe;IACnB,YAAoB,iBAAyB;QAAzB,sBAAiB,GAAjB,iBAAiB,CAAQ;IAAI,CAAC;IAElD,UAAU;QACR,IAAI,OAAO,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,iBAAiB,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC;QAC1G,OAAO,GAAG,IAAI,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC;QACvC,OAAO,GAAG,IAAI,CAAC,gBAAgB,CAAC,OAAO,CAAC,CAAC;QACzC,OAAO,OAAO,CAAC;IACjB,CAAC;IAEO,cAAc,CAAC,UAAkB;QACvC,OAAO,UAAU,CAAC,OAAO,CAAC,QAAQ,EAAE,QAAQ,CAAC,CAAC;IAChD,CAAC;IAEO,gBAAgB,CAAC,OAAe;QACtC,OAAO,OAAO,CAAC,OAAO,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;IACzC,CAAC;CACF"}
|
|
@@ -0,0 +1,20 @@
|
|
|
1
|
+
export declare enum LogLevel {
|
|
2
|
+
error = 0,
|
|
3
|
+
warning = 1,
|
|
4
|
+
info = 2,
|
|
5
|
+
debug = 3
|
|
6
|
+
}
|
|
7
|
+
export interface ILogger {
|
|
8
|
+
error(message: any, params?: object | undefined, stackTrace?: string | undefined): void;
|
|
9
|
+
warning(message: string, params?: object | undefined): void;
|
|
10
|
+
info(message: string, params?: object | undefined): void;
|
|
11
|
+
debug(message: string, params?: object | undefined): void;
|
|
12
|
+
}
|
|
13
|
+
export declare class PromiseSyncer {
|
|
14
|
+
private readonly logger;
|
|
15
|
+
private promise;
|
|
16
|
+
constructor(logger: ILogger);
|
|
17
|
+
private syncCounter;
|
|
18
|
+
sync(logPrefix: string, func: () => Promise<void>): void;
|
|
19
|
+
}
|
|
20
|
+
//# sourceMappingURL=syncer.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"syncer.d.ts","sourceRoot":"","sources":["syncer.ts"],"names":[],"mappings":"AAQA,oBAAY,QAAQ;IAAG,KAAK,IAAI;IAAE,OAAO,IAAI;IAAE,IAAI,IAAI;IAAE,KAAK,IAAI;CAAC;AAEnE,MAAM,WAAW,OAAO;IACtB,KAAK,CAAC,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,EAAE,MAAM,GAAG,SAAS,EAAE,UAAU,CAAC,EAAE,MAAM,GAAG,SAAS,GAAG,IAAI,CAAC;IACxF,OAAO,CAAC,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,EAAE,MAAM,GAAG,SAAS,GAAG,IAAI,CAAC;IAC5D,IAAI,CAAC,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,EAAE,MAAM,GAAG,SAAS,GAAG,IAAI,CAAC;IACzD,KAAK,CAAC,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,EAAE,MAAM,GAAG,SAAS,GAAG,IAAI,CAAC;CAC3D;AAED,qBAAa,aAAa;IAItB,OAAO,CAAC,QAAQ,CAAC,MAAM;IAHzB,OAAO,CAAC,OAAO,CAAoC;gBAGhC,MAAM,EAAE,OAAO;IAGlC,OAAO,CAAC,WAAW,CAAa;IAEzB,IAAI,CAAC,SAAS,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,OAAO,CAAC,IAAI,CAAC,GAAG,IAAI;CAahE"}
|
|
@@ -0,0 +1,29 @@
|
|
|
1
|
+
import { errInfo } from './err-info';
|
|
2
|
+
export var LogLevel;
|
|
3
|
+
(function (LogLevel) {
|
|
4
|
+
LogLevel[LogLevel["error"] = 0] = "error";
|
|
5
|
+
LogLevel[LogLevel["warning"] = 1] = "warning";
|
|
6
|
+
LogLevel[LogLevel["info"] = 2] = "info";
|
|
7
|
+
LogLevel[LogLevel["debug"] = 3] = "debug";
|
|
8
|
+
})(LogLevel || (LogLevel = {}));
|
|
9
|
+
export class PromiseSyncer {
|
|
10
|
+
constructor(logger) {
|
|
11
|
+
this.logger = logger;
|
|
12
|
+
this.promise = Promise.resolve();
|
|
13
|
+
this.syncCounter = 0;
|
|
14
|
+
}
|
|
15
|
+
sync(logPrefix, func) {
|
|
16
|
+
const syncId = ++this.syncCounter;
|
|
17
|
+
this.logger.debug(`${logPrefix}, SYNC syncId = ${syncId}, IN `);
|
|
18
|
+
this.promise = this.promise.then(async () => {
|
|
19
|
+
this.logger.debug(`${logPrefix}, SYNC syncId = ${syncId}, START `);
|
|
20
|
+
await func();
|
|
21
|
+
this.logger.debug(`${logPrefix}, SYNC syncId = ${syncId}, END `);
|
|
22
|
+
}).catch((err) => {
|
|
23
|
+
const [errMsg, errStack] = errInfo(err);
|
|
24
|
+
this.logger.error(`${logPrefix}, SYNC syncId = ${syncId}, ERROR:\n${errMsg}`, undefined, errStack);
|
|
25
|
+
});
|
|
26
|
+
// this.logger.debug(`${logPrefix}, SYNC syncId = ${syncId}, OUT`);
|
|
27
|
+
}
|
|
28
|
+
}
|
|
29
|
+
//# sourceMappingURL=syncer.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"syncer.js","sourceRoot":"","sources":["syncer.ts"],"names":[],"mappings":"AAMA,OAAO,EAAC,OAAO,EAAC,MAAM,YAAY,CAAC;AAEnC,MAAM,CAAN,IAAY,QAAuD;AAAnE,WAAY,QAAQ;IAAG,yCAAS,CAAA;IAAE,6CAAW,CAAA;IAAE,uCAAQ,CAAA;IAAE,yCAAS,CAAA;AAAA,CAAC,EAAvD,QAAQ,KAAR,QAAQ,QAA+C;AASnE,MAAM,OAAO,aAAa;IAGxB,YACmB,MAAe;QAAf,WAAM,GAAN,MAAM,CAAS;QAH1B,YAAO,GAAkB,OAAO,CAAC,OAAO,EAAE,CAAC;QAM3C,gBAAW,GAAW,CAAC,CAAC;IAF7B,CAAC;IAIG,IAAI,CAAC,SAAiB,EAAE,IAAyB;QACtD,MAAM,MAAM,GAAW,EAAE,IAAI,CAAC,WAAW,CAAC;QAC1C,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,GAAG,SAAS,mBAAmB,MAAM,OAAO,CAAC,CAAC;QAChE,IAAI,CAAC,OAAO,GAAG,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK,IAAI,EAAE;YAC1C,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,GAAG,SAAS,mBAAmB,MAAM,UAAU,CAAC,CAAC;YACnE,MAAM,IAAI,EAAE,CAAC;YACb,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,GAAG,SAAS,mBAAmB,MAAM,QAAQ,CAAC,CAAC;QACnE,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,GAAQ,EAAE,EAAE;YACpB,MAAM,CAAC,MAAM,EAAE,QAAQ,CAAC,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC;YACxC,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,GAAG,SAAS,mBAAmB,MAAM,aAAa,MAAM,EAAE,EAAE,SAAS,EAAE,QAAQ,CAAC,CAAC;QACrG,CAAC,CAAC,CAAC;QACH,mEAAmE;IACrE,CAAC;CACF"}
|
|
@@ -133,6 +133,7 @@ export declare class UnitsHandler {
|
|
|
133
133
|
* @param endIdx End position index of the region (0-based, inclusive)
|
|
134
134
|
*/
|
|
135
135
|
getRegion(startIdx: number | null, endIdx: number | null, name: string): DG.Column<string>;
|
|
136
|
+
private _joiner?;
|
|
136
137
|
getJoiner(): JoinerFunc;
|
|
137
138
|
getConverter(tgtUnits: NOTATION, tgtSeparator?: string | undefined): ConvertFunc;
|
|
138
139
|
protected constructor(col: DG.Column<string>);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"units-handler.d.ts","sourceRoot":"","sources":["units-handler.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAItC,OAAO,EAA4B,QAAQ,EAAwC,MAAM,iBAAiB,CAAC;AAC3G,OAAO,EAAC,YAAY,EAAE,WAAW,EAAE,YAAY,EAAC,MAAM,uBAAuB,CAAC;AAK9E,OAAO,EACgB,wBAAwB,EAC9C,MAAM,6DAA6D,CAAC;AACrE,OAAO,EAAC,sBAAsB,EAAC,MAAM,mEAAmE,CAAC;AAIzG,eAAO,MAAM,KAAK;IAChB,wDAAwD;;CAEvD,CAAC;AAEJ,eAAO,MAAM,UAAU,EAAE;IACvB,CAAC,KAAK,EAAE,MAAM,GAAG,MAAM,CAAA;CAKxB,CAAC;AAEF,MAAM,MAAM,WAAW,GAAG,CAAC,GAAG,EAAE,MAAM,KAAK,MAAM,CAAC;AAClD,MAAM,MAAM,UAAU,GAAG,CAAC,GAAG,EAAE,YAAY,KAAK,MAAM,CAAC;AAEvD;;GAEG;AACH,qBAAa,YAAY;IACvB,SAAS,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,MAAM,CAAC;IACtC,SAAS,CAAC,QAAQ,CAAC,MAAM,EAAE,MAAM,CAAC;IAClC,SAAS,CAAC,QAAQ,CAAC,SAAS,EAAE,QAAQ,CAAC;IACvC,SAAS,CAAC,QAAQ,CAAC,iBAAiB,EAAE,MAAM,CAAC;IAE7C,OAAO,CAAC,SAAS,CAA6B;WAEhC,qBAAqB,CAAC,EAAE,EAAE,YAAY;WAQtC,yBAAyB,CAAC,EAAE,EAAE,YAAY,EAAE,SAAS,CAAC,EAAE,MAAM;WAW9D,oBAAoB,CAAC,EAAE,EAAE,YAAY;IAQnD,+BAA+B;WACjB,OAAO,CAAC,EAAE,EAAE,YAAY,GAAG,IAAI;IA8B7C,SAAS,KAAK,MAAM,IAAI,EAAE,CAAC,MAAM,CAAyB;IAE1D,IAAW,KAAK,IAAI,MAAM,CAAwB;IAElD,IAAW,QAAQ,IAAI,QAAQ,CAA2B;IAE1D,IAAW,gBAAgB,IAAI,MAAM,CAAmC;IAExE,IAAW,SAAS,IAAI,MAAM,GAAG,SAAS,CAKzC;IAED,IAAW,OAAO,IAAI,MAAM,CAQ3B;IAED,iCAAiC;IACjC,IAAW,QAAQ,IAAI,MAAM,CAQ5B;IAED,SAAS,KAAK,cAAc,IAAI,MAAM,GAAG,SAAS,CAEjD;IAEM,eAAe,IAAI,MAAM;IA4BzB,sBAAsB,IAAI,OAAO;IASxC,OAAO,CAAC,SAAS,CAA+B;IAChD,MAAM;IACN,IAAW,QAAQ,IAAI,YAAY,EAAE,CAapC;IAED,OAAO,CAAC,MAAM,CAA4B;IAE1C,IAAW,KAAK,IAAI,WAAW,CAqB9B;IAED,OAAO,CAAC,UAAU,CAAuB;IACzC,IAAW,SAAS,IAAI,MAAM,CAM7B;IAED,OAAO,CAAC,QAAQ,CAAyB;IACzC,IAAW,OAAO,IAAI,MAAM,EAAE,CAO7B;IAEM,OAAO,IAAI,OAAO;IAElB,WAAW,IAAI,OAAO;IAEtB,MAAM,IAAI,OAAO;IAEjB,KAAK,IAAI,OAAO;IAEhB,KAAK,IAAI,OAAO;IAEhB,SAAS,IAAI,OAAO;IAEpB,KAAK,IAAI,OAAO;IAEhB,gBAAgB,IAAI,OAAO;IAE3B,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,OAAO;IAKhC,4DAA4D;IAC5D;;OAEG;IACH,SAAS,CAAC,WAAW,IAAI,QAAQ;IAYjC;;;;;OAKG;IACI,eAAe,IAAI,MAAM,EAAE;IAWlC;;;;;;OAMG;IACH,SAAS,CAAC,YAAY,CAAC,WAAW,EAAE,QAAQ,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAsCvF;;;;;;OAMG;WACW,YAAY,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM;IAM7D;;;;;OAKG;WACW,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO;IASxD;;;;;;;;OAQG;WACW,sBAAsB,CAClC,GAAG,EAAE,MAAM,EACX,IAAI,EAAE,MAAM,EACZ,KAAK,EAAE,MAAM,GACZ,EAAE,CAAC,MAAM;IAYZ,mDAAmD;IAC5C,WAAW,CAAC,KAAK,CAAC,EAAE,MAAM,GAAG,YAAY;IAiBzC,uBAAuB,IAAI,wBAAwB;IAoBnD,mBAAmB,IAAI,sBAAsB;IAKvC,sBAAsB,IAAI,OAAO,CAAC,OAAO,CAAC;IAgCvD,SAAS,KAAK,QAAQ,IAAI,YAAY,CAIrC;IAEM,OAAO,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAE1C,WAAW,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAE9C,MAAM,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAEhD;;;;;;;;;OASG;IACI,2BAA2B,CAChC,WAAW,EAAE,MAAM,EAAE,WAAW,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,GACrF,MAAM;IA8BT;;;;;OAKG;IACI,OAAO,CAAC,WAAW,EAAE,QAAQ,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAS/E;;;;OAIG;IACI,SAAS,CAAC,QAAQ,EAAE,MAAM,GAAG,IAAI,EAAE,MAAM,EAAE,MAAM,GAAG,IAAI,EAAE,IAAI,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;
|
|
1
|
+
{"version":3,"file":"units-handler.d.ts","sourceRoot":"","sources":["units-handler.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAItC,OAAO,EAA4B,QAAQ,EAAwC,MAAM,iBAAiB,CAAC;AAC3G,OAAO,EAAC,YAAY,EAAE,WAAW,EAAE,YAAY,EAAC,MAAM,uBAAuB,CAAC;AAK9E,OAAO,EACgB,wBAAwB,EAC9C,MAAM,6DAA6D,CAAC;AACrE,OAAO,EAAC,sBAAsB,EAAC,MAAM,mEAAmE,CAAC;AAIzG,eAAO,MAAM,KAAK;IAChB,wDAAwD;;CAEvD,CAAC;AAEJ,eAAO,MAAM,UAAU,EAAE;IACvB,CAAC,KAAK,EAAE,MAAM,GAAG,MAAM,CAAA;CAKxB,CAAC;AAEF,MAAM,MAAM,WAAW,GAAG,CAAC,GAAG,EAAE,MAAM,KAAK,MAAM,CAAC;AAClD,MAAM,MAAM,UAAU,GAAG,CAAC,GAAG,EAAE,YAAY,KAAK,MAAM,CAAC;AAEvD;;GAEG;AACH,qBAAa,YAAY;IACvB,SAAS,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,MAAM,CAAC;IACtC,SAAS,CAAC,QAAQ,CAAC,MAAM,EAAE,MAAM,CAAC;IAClC,SAAS,CAAC,QAAQ,CAAC,SAAS,EAAE,QAAQ,CAAC;IACvC,SAAS,CAAC,QAAQ,CAAC,iBAAiB,EAAE,MAAM,CAAC;IAE7C,OAAO,CAAC,SAAS,CAA6B;WAEhC,qBAAqB,CAAC,EAAE,EAAE,YAAY;WAQtC,yBAAyB,CAAC,EAAE,EAAE,YAAY,EAAE,SAAS,CAAC,EAAE,MAAM;WAW9D,oBAAoB,CAAC,EAAE,EAAE,YAAY;IAQnD,+BAA+B;WACjB,OAAO,CAAC,EAAE,EAAE,YAAY,GAAG,IAAI;IA8B7C,SAAS,KAAK,MAAM,IAAI,EAAE,CAAC,MAAM,CAAyB;IAE1D,IAAW,KAAK,IAAI,MAAM,CAAwB;IAElD,IAAW,QAAQ,IAAI,QAAQ,CAA2B;IAE1D,IAAW,gBAAgB,IAAI,MAAM,CAAmC;IAExE,IAAW,SAAS,IAAI,MAAM,GAAG,SAAS,CAKzC;IAED,IAAW,OAAO,IAAI,MAAM,CAQ3B;IAED,iCAAiC;IACjC,IAAW,QAAQ,IAAI,MAAM,CAQ5B;IAED,SAAS,KAAK,cAAc,IAAI,MAAM,GAAG,SAAS,CAEjD;IAEM,eAAe,IAAI,MAAM;IA4BzB,sBAAsB,IAAI,OAAO;IASxC,OAAO,CAAC,SAAS,CAA+B;IAChD,MAAM;IACN,IAAW,QAAQ,IAAI,YAAY,EAAE,CAapC;IAED,OAAO,CAAC,MAAM,CAA4B;IAE1C,IAAW,KAAK,IAAI,WAAW,CAqB9B;IAED,OAAO,CAAC,UAAU,CAAuB;IACzC,IAAW,SAAS,IAAI,MAAM,CAM7B;IAED,OAAO,CAAC,QAAQ,CAAyB;IACzC,IAAW,OAAO,IAAI,MAAM,EAAE,CAO7B;IAEM,OAAO,IAAI,OAAO;IAElB,WAAW,IAAI,OAAO;IAEtB,MAAM,IAAI,OAAO;IAEjB,KAAK,IAAI,OAAO;IAEhB,KAAK,IAAI,OAAO;IAEhB,SAAS,IAAI,OAAO;IAEpB,KAAK,IAAI,OAAO;IAEhB,gBAAgB,IAAI,OAAO;IAE3B,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,OAAO;IAKhC,4DAA4D;IAC5D;;OAEG;IACH,SAAS,CAAC,WAAW,IAAI,QAAQ;IAYjC;;;;;OAKG;IACI,eAAe,IAAI,MAAM,EAAE;IAWlC;;;;;;OAMG;IACH,SAAS,CAAC,YAAY,CAAC,WAAW,EAAE,QAAQ,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAsCvF;;;;;;OAMG;WACW,YAAY,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM;IAM7D;;;;;OAKG;WACW,kBAAkB,CAAC,KAAK,EAAE,MAAM,GAAG,OAAO;IASxD;;;;;;;;OAQG;WACW,sBAAsB,CAClC,GAAG,EAAE,MAAM,EACX,IAAI,EAAE,MAAM,EACZ,KAAK,EAAE,MAAM,GACZ,EAAE,CAAC,MAAM;IAYZ,mDAAmD;IAC5C,WAAW,CAAC,KAAK,CAAC,EAAE,MAAM,GAAG,YAAY;IAiBzC,uBAAuB,IAAI,wBAAwB;IAoBnD,mBAAmB,IAAI,sBAAsB;IAKvC,sBAAsB,IAAI,OAAO,CAAC,OAAO,CAAC;IAgCvD,SAAS,KAAK,QAAQ,IAAI,YAAY,CAIrC;IAEM,OAAO,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAE1C,WAAW,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAE9C,MAAM,CAAC,cAAc,EAAE,QAAQ,GAAG,OAAO;IAEhD;;;;;;;;;OASG;IACI,2BAA2B,CAChC,WAAW,EAAE,MAAM,EAAE,WAAW,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,GACrF,MAAM;IA8BT;;;;;OAKG;IACI,OAAO,CAAC,WAAW,EAAE,QAAQ,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAS/E;;;;OAIG;IACI,SAAS,CAAC,QAAQ,EAAE,MAAM,GAAG,IAAI,EAAE,MAAM,EAAE,MAAM,GAAG,IAAI,EAAE,IAAI,EAAE,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAyCjG,OAAO,CAAC,OAAO,CAAC,CAAyB;IAElC,SAAS,IAAI,UAAU;IAgBvB,YAAY,CAAC,QAAQ,EAAE,QAAQ,EAAE,YAAY,GAAE,MAAM,GAAG,SAAqB,GAAG,WAAW;IAelG,SAAS,aAAa,GAAG,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAiD5C,0GAA0G;WAC5F,WAAW,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,YAAY;CAKhE"}
|
|
@@ -477,17 +477,20 @@ export class UnitsHandler {
|
|
|
477
477
|
return regCol;
|
|
478
478
|
}
|
|
479
479
|
getJoiner() {
|
|
480
|
-
|
|
481
|
-
|
|
482
|
-
|
|
483
|
-
|
|
484
|
-
|
|
485
|
-
|
|
486
|
-
|
|
487
|
-
|
|
480
|
+
if (this._joiner === undefined) {
|
|
481
|
+
const srcUh = this;
|
|
482
|
+
if (this.notation === NOTATION.FASTA)
|
|
483
|
+
this._joiner = function (srcS) { return joinToFasta(srcUh, srcS); };
|
|
484
|
+
else if (this.notation === NOTATION.SEPARATOR)
|
|
485
|
+
this._joiner = function (srcS) { return joinToSeparator(srcUh, srcS, srcUh.separator); };
|
|
486
|
+
else if (this.notation === NOTATION.HELM) {
|
|
487
|
+
const isDnaOrRna = srcUh.alphabet === "DNA" /* ALPHABET.DNA */ || srcUh.alphabet === "RNA" /* ALPHABET.RNA */;
|
|
488
|
+
this._joiner = function (srcS) { return joinToHelm(srcUh, srcS, isDnaOrRna); };
|
|
489
|
+
}
|
|
490
|
+
else
|
|
491
|
+
throw new Error();
|
|
488
492
|
}
|
|
489
|
-
|
|
490
|
-
throw new Error();
|
|
493
|
+
return this._joiner;
|
|
491
494
|
}
|
|
492
495
|
getConverter(tgtUnits, tgtSeparator = undefined) {
|
|
493
496
|
if (tgtUnits === NOTATION.SEPARATOR && !tgtSeparator)
|
|
@@ -508,6 +511,7 @@ export class UnitsHandler {
|
|
|
508
511
|
this._stats = null;
|
|
509
512
|
this._maxLength = null;
|
|
510
513
|
this._posList = null;
|
|
514
|
+
this._joiner = undefined;
|
|
511
515
|
if (col.type !== DG.TYPE.STRING)
|
|
512
516
|
throw new Error(`Unexpected column type '${col.type}', must be '${DG.TYPE.STRING}'.`);
|
|
513
517
|
this._column = col;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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@@ -1,4 +1,5 @@
|
|
|
1
1
|
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { BiostructureDataJson } from '../pdb/types';
|
|
2
3
|
import { IViewer } from './viewer';
|
|
3
4
|
import { PdbResDataFrameType } from '../pdb/pdb-helper';
|
|
4
5
|
export declare enum RepresentationType {
|
|
@@ -24,15 +25,8 @@ export declare enum PluginLayoutControlsDisplayType {
|
|
|
24
25
|
LANDSCAPE = "landscape",
|
|
25
26
|
REACTIVE = "reactive"
|
|
26
27
|
}
|
|
27
|
-
export type MolstarDataType = {
|
|
28
|
-
ext: string;
|
|
29
|
-
data: string | Uint8Array;
|
|
30
|
-
options?: {
|
|
31
|
-
dataLabel?: string;
|
|
32
|
-
};
|
|
33
|
-
};
|
|
34
28
|
export declare const BiostructurePropsDefault: {
|
|
35
|
-
dataJson:
|
|
29
|
+
dataJson: BiostructureDataJson;
|
|
36
30
|
pdb: string | null;
|
|
37
31
|
pdbTag: string | null;
|
|
38
32
|
ligandColumnName: string | null;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"molstar-viewer.d.ts","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAItC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AACjC,OAAO,EAAC,mBAAmB,EAAC,MAAM,mBAAmB,CAAC;AAGtD,oBAAY,kBAAkB;IAC5B,OAAO,YAAY;IACnB,QAAQ,aAAa;IACrB,YAAY,eAAe;IAC3B,QAAQ,aAAa;IACrB,SAAS,cAAc;IACvB,OAAO,YAAY;CACpB;AAED,oBAAY,sBAAsB;IAChC,IAAI,SAAS;IACb,SAAS,cAAc;IACvB,MAAM,WAAW;CAClB;AAED,oBAAY,4BAA4B;IACtC,IAAI,SAAS;IACb,MAAM,WAAW;CAClB;AAED,oBAAY,+BAA+B;IACzC,OAAO,YAAY;IACnB,QAAQ,aAAa;IACrB,SAAS,cAAc;IACvB,QAAQ,aAAa;CACtB;AAED,
|
|
1
|
+
{"version":3,"file":"molstar-viewer.d.ts","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAItC,OAAO,EAAC,oBAAoB,EAAC,MAAM,cAAc,CAAC;AAClD,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AACjC,OAAO,EAAC,mBAAmB,EAAC,MAAM,mBAAmB,CAAC;AAGtD,oBAAY,kBAAkB;IAC5B,OAAO,YAAY;IACnB,QAAQ,aAAa;IACrB,YAAY,eAAe;IAC3B,QAAQ,aAAa;IACrB,SAAS,cAAc;IACvB,OAAO,YAAY;CACpB;AAED,oBAAY,sBAAsB;IAChC,IAAI,SAAS;IACb,SAAS,cAAc;IACvB,MAAM,WAAW;CAClB;AAED,oBAAY,4BAA4B;IACtC,IAAI,SAAS;IACb,MAAM,WAAW;CAClB;AAED,oBAAY,+BAA+B;IACzC,OAAO,YAAY;IACnB,QAAQ,aAAa;IACrB,SAAS,cAAc;IACvB,QAAQ,aAAa;CACtB;AAED,eAAO,MAAM,wBAAwB;cAEzB,oBAAoB;SACzB,MAAM,GAAG,IAAI;YACV,MAAM,GAAG,IAAI;sBACH,MAAM,GAAG,IAAI;iBAClB,MAAM;kBACL,MAAM;oBAGJ,kBAAkB;sBAGhB,OAAO;wBACL,OAAO;2BACJ,sBAAsB;0BACvB,4BAA4B;4BAC1B,4BAA4B;6BAC3B,4BAA4B;2BAC9B,+BAA+B;wBAElC,OAAO;yBACN,OAAO;iCACC,OAAO;+BAGT,OAAO;kCAMJ,OAAO;mCAEN,OAAO;IAGtC;;;OAGG;wBACiB,OAAO;2BAEJ,OAAO;wBACV,OAAO;mBACZ,OAAO;yBACD,OAAO;uBAET,OAAO;wBACN,OAAO;wBACP,OAAO;0BACL,OAAO;+BAEF,OAAO;2BACX,MAAM;qBACZ,MAAM;sBACL,OAAO;uBAEN,MAAM;wBACL,OAAO;CAC1B,CAAC;AAEJ,MAAM,MAAM,iBAAiB,GAAG,OAAO,wBAAwB,CAAC;AAEhE,MAAM,WAAW,mBAAoB,SAAQ,OAAO;IAClD,UAAU,CAAC,OAAO,EAAE,OAAO,CAAC,iBAAiB,CAAC,GAAG,IAAI,CAAC;CACvD;AAGD,MAAM,WAAW,cAAe,SAAQ,OAAO;IAC7C,OAAO,CAAC,EAAE,EAAE,mBAAmB,GAAG,EAAE,CAAC,SAAS,GAAG,IAAI,CAAC;CACvD;AAED,OAAO,QAAQ,iBAAiB,CAAC;IAC/B,UAAU,mBAAmB;QAE3B,QAAQ,CAAC,UAAU,EAAE,cAAc,EAAE,OAAO,EAAE,OAAO,CAAC,iBAAiB,CAAC,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,iBAAiB,CAAC,GAAG,mBAAmB,CAAC,CAAC;KACxI;CACF"}
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@@ -1,3 +1,4 @@
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+
import { BiostructureDataJson } from '../pdb/types';
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import { TAGS as pdbTAGS } from '../pdb/index';
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export var RepresentationType;
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|
(function (RepresentationType) {
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@@ -29,7 +30,7 @@ export var PluginLayoutControlsDisplayType;
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export const BiostructurePropsDefault = new class {
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constructor() {
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// -- Data --
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this.dataJson =
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this.dataJson = BiostructureDataJson.null;
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this.pdb = null;
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this.pdbTag = pdbTAGS.PDB;
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this.ligandColumnName = null;
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"molstar-viewer.js","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"
|
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+
{"version":3,"file":"molstar-viewer.js","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,oBAAoB,EAAC,MAAM,cAAc,CAAC;AAGlD,OAAO,EAAC,IAAI,IAAI,OAAO,EAAC,MAAM,cAAc,CAAC;AAE7C,MAAM,CAAN,IAAY,kBAOX;AAPD,WAAY,kBAAkB;IAC5B,yCAAmB,CAAA;IACnB,2CAAqB,CAAA;IACrB,iDAA2B,CAAA;IAC3B,2CAAqB,CAAA;IACrB,6CAAuB,CAAA;IACvB,yCAAmB,CAAA;AACrB,CAAC,EAPW,kBAAkB,KAAlB,kBAAkB,QAO7B;AAED,MAAM,CAAN,IAAY,sBAIX;AAJD,WAAY,sBAAsB;IAChC,uCAAa,CAAA;IACb,iDAAuB,CAAA;IACvB,2CAAiB,CAAA;AACnB,CAAC,EAJW,sBAAsB,KAAtB,sBAAsB,QAIjC;AAED,MAAM,CAAN,IAAY,4BAGX;AAHD,WAAY,4BAA4B;IACtC,6CAAa,CAAA;IACb,iDAAiB,CAAA;AACnB,CAAC,EAHW,4BAA4B,KAA5B,4BAA4B,QAGvC;AAED,MAAM,CAAN,IAAY,+BAKX;AALD,WAAY,+BAA+B;IACzC,sDAAmB,CAAA;IACnB,wDAAqB,CAAA;IACrB,0DAAuB,CAAA;IACvB,wDAAqB,CAAA;AACvB,CAAC,EALW,+BAA+B,KAA/B,+BAA+B,QAK1C;AAED,MAAM,CAAC,MAAM,wBAAwB,GAAG,IAAI;IAAA;QAC1C,aAAa;QACb,aAAQ,GAAyB,oBAAoB,CAAC,IAAI,CAAC;QAC3D,QAAG,GAAkB,IAAI,CAAC;QAC1B,WAAM,GAAkB,OAAO,CAAC,GAAG,CAAC;QACpC,qBAAgB,GAAkB,IAAI,CAAC;QACvC,gBAAW,GAAW,MAAM,CAAC;QAC7B,iBAAY,GAAW,MAAM,CAAC;QAE9B,cAAc;QACd,mBAAc,GAAuB,kBAAkB,CAAC,OAAO,CAAC;QAEhE,eAAe;QACf,qBAAgB,GAAY,KAAK,CAAC;QAClC,uBAAkB,GAAY,KAAK,CAAC;QACpC,0BAAqB,GAA2B,sBAAsB,CAAC,IAAI,CAAC;QAC5E,yBAAoB,GAAiC,4BAA4B,CAAC,IAAI,CAAC;QACvF,2BAAsB,GAAiC,4BAA4B,CAAC,IAAI,CAAC;QACzF,4BAAuB,GAAiC,4BAA4B,CAAC,IAAI,CAAC;QAC1F,0BAAqB,GAAoC,+BAA+B,CAAC,OAAO,CAAC;QAEjG,uBAAkB,GAAY,KAAK,CAAC;QACpC,wBAAmB,GAAY,KAAK,CAAC;QACrC,gCAA2B,GAAY,IAAI,CAAC;QAC5C,kCAAkC;QAClC,sCAAsC;QACtC,8BAAyB,GAAY,IAAI,CAAC;QAE1C,kCAAkC;QAClC,wCAAwC;QACxC,qCAAqC;QACrC,sCAAsC;QACtC,iCAA4B,GAAY,IAAI,CAAC;QAE7C,kCAA6B,GAAY,KAAK,CAAC;QAE/C,6BAA6B;QAC7B;;;WAGG;QACH,uBAAkB,GAAY,KAAK,CAAC;QAEpC,0BAAqB,GAAY,KAAK,CAAC;QACvC,uBAAkB,GAAY,KAAK,CAAC;QACpC,kBAAa,GAAY,KAAK,CAAC;QAC/B,wBAAmB,GAAY,KAAK,CAAC;QAErC,sBAAiB,GAAY,IAAI,CAAC;QAClC,uBAAkB,GAAY,IAAI,CAAC;QACnC,uBAAkB,GAAY,KAAK,CAAC;QACpC,yBAAoB,GAAY,KAAK,CAAC;QAEtC,8BAAyB,GAAY,IAAI,CAAC;QAC1C,0BAAqB,GAAW,wBAAwB,CAAC;QACzD,oBAAe,GAAW,QAAQ,CAAC,CAAC,QAAQ;QAC5C,qBAAgB,GAAY,KAAK,CAAC;QAElC,sBAAiB,GAAW,EAAE,CAAC;QAC/B,uBAAkB,GAAY,KAAK,CAAC;IACtC,CAAC;CAAA,EAAE,CAAC"}
|
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@@ -0,0 +1,30 @@
|
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1
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+
import * as DG from 'datagrok-api/dg';
|
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2
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+
export type NglGlTask = {
|
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3
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name: string;
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backColor: number;
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props: {
|
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6
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width: number;
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7
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height: number;
|
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8
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} & {
|
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9
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[propName: string]: any;
|
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10
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+
};
|
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11
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+
onAfterRender: (canvas: HTMLCanvasElement) => void;
|
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12
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+
};
|
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13
|
+
export declare abstract class NglGlServiceBase {
|
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14
|
+
abstract get errorCount(): number;
|
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15
|
+
/** Disposes MolstarViewer to free WebGL context */
|
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+
abstract reset(): Promise<void>;
|
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17
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+
/** Queues NglGl render task
|
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+
* @param key Specify to skip previously queued tasks with the same key
|
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+
*/
|
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abstract render(args: NglGlTask, key?: keyof any): void;
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/** Default implementation of rendering tree on grid cell
|
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* @param bd Bound rect to clip drawing on task moment
|
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* @param gCell Grid cell to draw
|
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* @param canvas Image of the tree rendered
|
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*/
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abstract renderOnGridCell(gCtx: CanvasRenderingContext2D, bd: DG.Rect, gCell: DG.GridCell, canvas: CanvasImageSource): void;
|
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+
}
|
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|
+
export declare function getNglGlService(): Promise<NglGlServiceBase>;
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//# sourceMappingURL=ngl-gl-service.d.ts.map
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@@ -0,0 +1 @@
|
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1
|
+
{"version":3,"file":"ngl-gl-service.d.ts","sourceRoot":"","sources":["ngl-gl-service.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,MAAM,MAAM,SAAS,GAAG;IACtB,IAAI,EAAE,MAAM,CAAC;IACb,SAAS,EAAE,MAAM,CAAC;IAClB,KAAK,EAAE;QAAE,KAAK,EAAE,MAAM,CAAC;QAAC,MAAM,EAAE,MAAM,CAAA;KAAE,GAAG;QAAE,CAAC,QAAQ,EAAE,MAAM,GAAG,GAAG,CAAA;KAAE,CAAC;IACvE,aAAa,EAAE,CAAC,MAAM,EAAE,iBAAiB,KAAK,IAAI,CAAA;CACnD,CAAC;AAEF,8BAAsB,gBAAgB;IACpC,QAAQ,KAAK,UAAU,IAAI,MAAM,CAAC;IAElC,mDAAmD;IACnD,QAAQ,CAAC,KAAK,IAAI,OAAO,CAAC,IAAI,CAAC;IAE/B;;OAEG;IACH,QAAQ,CAAC,MAAM,CAAC,IAAI,EAAE,SAAS,EAAE,GAAG,CAAC,EAAE,MAAM,GAAG,GAAG,IAAI;IAEvD;;;;;OAKG;IACH,QAAQ,CAAC,gBAAgB,CACvB,IAAI,EAAE,wBAAwB,EAAE,EAAE,EAAE,EAAE,CAAC,IAAI,EAAE,KAAK,EAAE,EAAE,CAAC,QAAQ,EAAE,MAAM,EAAE,iBAAiB,GAAG,IAAI;CACpG;AAGD,wBAAsB,eAAe,IAAI,OAAO,CAAC,gBAAgB,CAAC,CAOjE"}
|
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@@ -0,0 +1,11 @@
|
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1
|
+
import * as DG from 'datagrok-api/dg';
|
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2
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+
export class NglGlServiceBase {
|
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3
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+
}
|
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4
|
+
export async function getNglGlService() {
|
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5
|
+
const funcList = DG.Func.find({ package: 'BiostructureViewer', name: 'getNglGlService' });
|
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6
|
+
if (funcList.length === 0)
|
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|
+
throw new Error('Package "BiostructureViewer" must be installed for NglGl services.');
|
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|
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const svc = (await funcList[0].prepare().call()).getOutputParamValue();
|
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|
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return svc;
|
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}
|
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//# sourceMappingURL=ngl-gl-service.js.map
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@@ -0,0 +1 @@
|
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1
|
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{"version":3,"file":"ngl-gl-service.js","sourceRoot":"","sources":["ngl-gl-service.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAStC,MAAM,OAAgB,gBAAgB;CAmBrC;AAGD,MAAM,CAAC,KAAK,UAAU,eAAe;IACnC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,oBAAoB,EAAE,IAAI,EAAE,iBAAiB,EAAC,CAAC,CAAC;IACxF,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QACvB,MAAM,IAAI,KAAK,CAAC,oEAAoE,CAAC,CAAC;IAExF,MAAM,GAAG,GAAqB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAsB,CAAC;IAC7G,OAAO,GAAG,CAAC;AACb,CAAC"}
|
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@@ -1,6 +1,7 @@
|
|
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1
1
|
import * as DG from 'datagrok-api/dg';
|
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2
|
-
import { IViewer } from './viewer';
|
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|
import { Observable } from 'rxjs';
|
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|
+
import { IViewer } from './viewer';
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import { BiostructureDataJson } from '../pdb/types';
|
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|
export type NodeStyleType = {
|
|
5
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|
[propName: string]: any;
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|
};
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@@ -16,6 +17,7 @@ export declare enum RepresentationType {
|
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|
Surface = "surface"
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|
}
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|
export declare const NglPropsDefault: {
|
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|
+
dataJson: BiostructureDataJson;
|
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|
pdb: string | null;
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|
pdbTag: string | null;
|
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|
ligandColumnName: string | null;
|
|
@@ -34,26 +36,4 @@ declare module 'datagrok-api/dg' {
|
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|
fromType(viewerType: 'NGL', options: Partial<NglProps>): Promise<DG.Viewer<NglProps> & INglViewer>;
|
|
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|
}
|
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|
}
|
|
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|
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export type NglGlTask = {
|
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|
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name: string;
|
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|
-
backColor: number;
|
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|
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props: {
|
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|
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[propName: string]: any;
|
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|
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};
|
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|
-
onAfterRender: (canvas: HTMLCanvasElement) => void;
|
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|
-
};
|
|
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|
-
export declare abstract class NglGlServiceBase {
|
|
46
|
-
/** Queues NglGl render task
|
|
47
|
-
* @param key Specify to skip previously queued tasks with the same key
|
|
48
|
-
*/
|
|
49
|
-
abstract render(args: NglGlTask, key?: keyof any): void;
|
|
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|
-
/** Default implementation of rendering tree on grid cell
|
|
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|
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* @param gCtx Context to draw on grid
|
|
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|
-
* @param bd Bound rect to clip drawing on task moment
|
|
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|
-
* @param gCell Grid cell to draw
|
|
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|
-
* @param canvas Image of the tree rendered
|
|
55
|
-
*/
|
|
56
|
-
abstract renderOnGridCell(gCtx: CanvasRenderingContext2D, bd: DG.Rect, gCell: DG.GridCell, canvas: CanvasImageSource): void;
|
|
57
|
-
}
|
|
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|
-
export declare function getNglGlService(): Promise<NglGlServiceBase>;
|
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|
//# sourceMappingURL=ngl-gl-viewer.d.ts.map
|
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@@ -1 +1 @@
|
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|
1
|
-
{"version":3,"file":"ngl-gl-viewer.d.ts","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AACjC,OAAO,EAAC,
|
|
1
|
+
{"version":3,"file":"ngl-gl-viewer.d.ts","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,UAAU,EAAC,MAAM,MAAM,CAAC;AAKhC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AACjC,OAAO,EAAC,oBAAoB,EAAC,MAAM,cAAc,CAAC;AAGlD,MAAM,MAAM,aAAa,GAAG;IAAE,CAAC,QAAQ,EAAE,MAAM,GAAG,GAAG,CAAA;CAAE,CAAC;AACxD,MAAM,MAAM,UAAU,GAAG;IAAE,CAAC,QAAQ,EAAE,MAAM,GAAG,aAAa,CAAA;CAAE,CAAC;AAE/D,oBAAY,kBAAkB;IAC5B,OAAO,YAAY;IACnB,QAAQ,aAAa;IACrB,YAAY,eAAe;IAC3B,QAAQ,aAAa;IACrB,SAAS,cAAc;IACvB,OAAO,YAAY;CACpB;AAED,eAAO,MAAM,eAAe;cAEhB,oBAAoB;SACzB,MAAM,GAAG,IAAI;YACV,MAAM,GAAG,IAAI;sBACH,MAAM,GAAG,IAAI;oBAGf,kBAAkB;6BAIT,OAAO;0BACV,OAAO;4BACL,OAAO;CAC9B,CAAC;AAGJ,MAAM,MAAM,QAAQ,GAAG,OAAO,eAAe,CAAC;AAE9C,MAAM,WAAW,UAAW,SAAQ,OAAO;IACzC,UAAU,CAAC,OAAO,EAAE,OAAO,CAAC,QAAQ,CAAC,GAAG,IAAI,CAAC;IAE7C,IAAI,gBAAgB,IAAI,UAAU,CAAC,IAAI,CAAC,CAAC;CAC1C;AAED,OAAO,QAAQ,iBAAiB,CAAC;IAC/B,UAAU,mBAAmB;QAC3B,QAAQ,CAAC,UAAU,EAAE,KAAK,EAAE,OAAO,EAAE,OAAO,CAAC,QAAQ,CAAC,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,QAAQ,CAAC,GAAG,UAAU,CAAC,CAAC;KACpG;CACF"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import * as DG from 'datagrok-api/dg';
|
|
2
1
|
import { TAGS as pdbTAGS } from '../pdb/index';
|
|
2
|
+
import { BiostructureDataJson } from '../pdb/types';
|
|
3
3
|
export var RepresentationType;
|
|
4
4
|
(function (RepresentationType) {
|
|
5
5
|
RepresentationType["Cartoon"] = "cartoon";
|
|
@@ -12,6 +12,7 @@ export var RepresentationType;
|
|
|
12
12
|
export const NglPropsDefault = new class {
|
|
13
13
|
constructor() {
|
|
14
14
|
// -- Data --
|
|
15
|
+
this.dataJson = BiostructureDataJson.null;
|
|
15
16
|
this.pdb = null;
|
|
16
17
|
this.pdbTag = pdbTAGS.PDB;
|
|
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18
|
this.ligandColumnName = null;
|
|
@@ -23,13 +24,4 @@ export const NglPropsDefault = new class {
|
|
|
23
24
|
this.showMouseOverRowLigand = true;
|
|
24
25
|
}
|
|
25
26
|
}();
|
|
26
|
-
export class NglGlServiceBase {
|
|
27
|
-
}
|
|
28
|
-
export async function getNglGlService() {
|
|
29
|
-
const funcList = DG.Func.find({ package: 'BiostructureViewer', name: 'getNglGlService' });
|
|
30
|
-
if (funcList.length === 0)
|
|
31
|
-
throw new Error('Package "BiostructureViewer" must be installed for NglGl services.');
|
|
32
|
-
const svc = (await funcList[0].prepare().call()).getOutputParamValue();
|
|
33
|
-
return svc;
|
|
34
|
-
}
|
|
35
27
|
//# sourceMappingURL=ngl-gl-viewer.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"ngl-gl-viewer.js","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"
|
|
1
|
+
{"version":3,"file":"ngl-gl-viewer.js","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"AAQA,OAAO,EAAC,IAAI,IAAI,OAAO,EAAC,MAAM,cAAc,CAAC;AAE7C,OAAO,EAAC,oBAAoB,EAAC,MAAM,cAAc,CAAC;AAMlD,MAAM,CAAN,IAAY,kBAOX;AAPD,WAAY,kBAAkB;IAC5B,yCAAmB,CAAA;IACnB,2CAAqB,CAAA;IACrB,iDAA2B,CAAA;IAC3B,2CAAqB,CAAA;IACrB,6CAAuB,CAAA;IACvB,yCAAmB,CAAA;AACrB,CAAC,EAPW,kBAAkB,KAAlB,kBAAkB,QAO7B;AAED,MAAM,CAAC,MAAM,eAAe,GAAG,IAAI;IAAA;QACjC,aAAa;QACb,aAAQ,GAAyB,oBAAoB,CAAC,IAAI,CAAC;QAC3D,QAAG,GAAkB,IAAI,CAAC;QAC1B,WAAM,GAAkB,OAAO,CAAC,GAAG,CAAC;QACpC,qBAAgB,GAAkB,IAAI,CAAC;QAEvC,cAAc;QACd,mBAAc,GAAuB,kBAAkB,CAAC,OAAO,CAAC;QAEhE,kBAAkB;QAElB,4BAAuB,GAAY,KAAK,CAAC;QACzC,yBAAoB,GAAY,IAAI,CAAC;QACrC,2BAAsB,GAAY,IAAI,CAAC;IACzC,CAAC;CAAA,EAAE,CAAC"}
|
package/src/viewers/viewer.d.ts
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"viewer.d.ts","sourceRoot":"","sources":["viewer.ts"],"names":[],"mappings":"AAIA,MAAM,WAAW,
|
|
1
|
+
{"version":3,"file":"viewer.d.ts","sourceRoot":"","sources":["viewer.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,SAAS,EAAC,MAAM,mBAAmB,CAAC;AAE5C,MAAM,WAAW,OAAQ,SAAQ,SAAS;IACxC,mCAAmC;IACnC,IAAI,IAAI,IAAI,WAAW,CAAC;IAExB,2BAA2B;IAC3B,KAAK,IAAI,IAAI,CAAC;IAEd,mCAAmC;IACnC,cAAc,IAAI,GAAG,CAAC;CACvB"}
|