@datagrok-libraries/bio 5.39.6 → 5.39.7
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/CHANGELOG.md +4 -4
- package/package.json +1 -1
- package/src/molecule/molecule-build-data.d.ts +4 -0
- package/src/molecule/molecule-build-data.d.ts.map +1 -0
- package/src/molecule/molecule-build-data.js +11 -0
- package/src/molecule/molecule-build-data.js.map +1 -0
- package/src/molecule/molecule-units-handler.d.ts +25 -0
- package/src/molecule/molecule-units-handler.d.ts.map +1 -0
- package/src/molecule/molecule-units-handler.js +41 -0
- package/src/molecule/molecule-units-handler.js.map +1 -0
- package/src/molecule/types.d.ts +6 -0
- package/src/molecule/types.d.ts.map +1 -0
- package/src/molecule/types.js +7 -0
- package/src/molecule/types.js.map +1 -0
- package/src/molecule-3d/index.d.ts +2 -0
- package/src/molecule-3d/index.d.ts.map +1 -0
- package/src/molecule-3d/index.js +2 -0
- package/src/molecule-3d/index.js.map +1 -0
- package/src/molecule-3d/molecule-3d-build-data.d.ts +5 -0
- package/src/molecule-3d/molecule-3d-build-data.d.ts.map +1 -0
- package/src/molecule-3d/molecule-3d-build-data.js +11 -0
- package/src/molecule-3d/molecule-3d-build-data.js.map +1 -0
- package/src/molecule-3d/molecule-3d-units-handler.d.ts +26 -0
- package/src/molecule-3d/molecule-3d-units-handler.d.ts.map +1 -0
- package/src/molecule-3d/molecule-3d-units-handler.js +44 -0
- package/src/molecule-3d/molecule-3d-units-handler.js.map +1 -0
- package/src/molecule-3d/types.d.ts +6 -0
- package/src/molecule-3d/types.d.ts.map +1 -0
- package/src/molecule-3d/types.js +7 -0
- package/src/molecule-3d/types.js.map +1 -0
- package/src/monomer-works/monomer-utils.d.ts +0 -2
- package/src/monomer-works/monomer-utils.d.ts.map +1 -1
- package/src/monomer-works/monomer-utils.js +1 -1
- package/src/monomer-works/monomer-utils.js.map +1 -1
- package/src/utils/units-handler-base.d.ts +23 -0
- package/src/utils/units-handler-base.d.ts.map +1 -0
- package/src/utils/units-handler-base.js +64 -0
- package/src/utils/units-handler-base.js.map +1 -0
- package/src/utils/units-handler.d.ts +5 -5
- package/src/utils/units-handler.d.ts.map +1 -1
- package/src/utils/units-handler.js +7 -6
- package/src/utils/units-handler.js.map +1 -1
- package/src/viewers/biotrack.d.ts +12 -0
- package/src/viewers/biotrack.d.ts.map +1 -0
- package/src/viewers/biotrack.js +3 -0
- package/src/viewers/biotrack.js.map +1 -0
- package/src/viewers/molecule3d.d.ts +18 -0
- package/src/viewers/molecule3d.d.ts.map +1 -0
- package/src/viewers/molecule3d.js +12 -0
- package/src/viewers/molecule3d.js.map +1 -0
- package/src/viewers/molstar-viewer.d.ts +3 -3
- package/src/viewers/molstar-viewer.d.ts.map +1 -1
- package/src/viewers/molstar-viewer.js +3 -2
- package/src/viewers/molstar-viewer.js.map +1 -1
- package/src/viewers/ngl-gl-viewer.d.ts +2 -2
- package/src/viewers/ngl-gl-viewer.d.ts.map +1 -1
- package/src/viewers/ngl-gl-viewer.js +2 -1
- package/src/viewers/ngl-gl-viewer.js.map +1 -1
- package/src/viewers/vd-regions.d.ts +1 -1
- package/src/viewers/vd-regions.d.ts.map +1 -1
- package/src/viewers/web-logo.d.ts +2 -2
- package/src/viewers/web-logo.d.ts.map +1 -1
package/CHANGELOG.md
CHANGED
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@@ -2,15 +2,12 @@
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## 5.39.0 (2023-10-25)
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### Bug fixes
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* Fix monomer lib handler for PolyTool
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* Fix splitter with separator for quoted gaps
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-
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### Features
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* Add VdRegionsViewer `filterSource` property.
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* Add WebLogo `valueAggrType`, `valueColumnName` properties.
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* Add routines to get/set user monomer library settings.
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* Add Molecule3DUnitsHandler
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### Bug fixes
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@@ -22,6 +19,9 @@
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* Fix VdRegionsViewer fit width accounting position margin of WebLogo
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* Fix UnitsHandler to allow empty alphabet if annotated with tag.
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* Fix UnitsHandler.maxLength to be zero for empty data.
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* Fix monomer lib handler for PolyTool
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* Fix splitter with separator for quoted gaps
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* Fix default value for pdbTag prop of Biostructure
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## 5.38.0 (2023-09-06)
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package/package.json
CHANGED
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@@ -0,0 +1 @@
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{"version":3,"file":"molecule-build-data.d.ts","sourceRoot":"","sources":["molecule-build-data.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,qBAAqB,EAAe,MAAM,SAAS,CAAC;AAE5D,eAAO,MAAM,iBAAiB,EAAE,qBAI/B,CAAC;AAEF,eAAO,MAAM,iBAAiB,EAAE,qBAG/B,CAAC"}
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import { MoleculeBase } from './types';
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export const buildDataMolV2000 = (src) => {
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const ma = src.match(/\@\<(?<name>)\>MOLECULE/);
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const name = ma ? ma.groups?.['name'] : undefined;
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return new MoleculeBase(name);
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};
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export const buildDataMolV3000 = (src) => {
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const name = undefined;
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return new MoleculeBase(name);
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};
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//# sourceMappingURL=molecule-build-data.js.map
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{"version":3,"file":"molecule-build-data.js","sourceRoot":"","sources":["molecule-build-data.ts"],"names":[],"mappings":"AAIA,OAAO,EAAwB,YAAY,EAAC,MAAM,SAAS,CAAC;AAE5D,MAAM,CAAC,MAAM,iBAAiB,GAA0B,CAAC,GAAW,EAAgB,EAAE;IACpF,MAAM,EAAE,GAAG,GAAG,CAAC,KAAK,CAAC,yBAAyB,CAAC,CAAC;IAChD,MAAM,IAAI,GAAuB,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC,MAAM,EAAE,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACtE,OAAO,IAAI,YAAY,CAAC,IAAI,CAAC,CAAC;AAChC,CAAC,CAAC;AAEF,MAAM,CAAC,MAAM,iBAAiB,GAA0B,CAAC,GAAW,EAAgB,EAAE;IACpF,MAAM,IAAI,GAAuB,SAAS,CAAC;IAC3C,OAAO,IAAI,YAAY,CAAC,IAAI,CAAC,CAAC;AAChC,CAAC,CAAC"}
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@@ -0,0 +1,25 @@
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import * as DG from 'datagrok-api/dg';
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import { BuildDataFunc, UnitsHandlerBase } from '../utils/units-handler-base';
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import { MoleculeBuildDataFunc, MoleculeBase } from './types';
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export declare const Temps: {
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uh: string;
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data: string;
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};
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export declare enum MoleculeUnits {
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molV2000 = "molV2000",
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molV3000 = "molV3000"
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}
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export declare const MoleculeFileExts: {
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[units: string]: string;
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};
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export declare const MoleculeBuildDataFuncs: {
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[units: string]: MoleculeBuildDataFunc;
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};
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export declare const MoleculeNameColumnNames: string[];
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export declare class MoleculeUnitsHandler extends UnitsHandlerBase<string, MoleculeBase> {
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constructor(col: DG.Column);
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protected getFileExt(): string;
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protected getBuildDataFunc(): BuildDataFunc<string, MoleculeBase>;
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static getOrCreate(col: DG.Column): MoleculeUnitsHandler;
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}
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//# sourceMappingURL=molecule-units-handler.d.ts.map
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{"version":3,"file":"molecule-units-handler.d.ts","sourceRoot":"","sources":["molecule-units-handler.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAKtC,OAAO,EAAC,aAAa,EAAE,gBAAgB,EAAC,MAAM,6BAA6B,CAAC;AAE5E,OAAO,EAAC,qBAAqB,EAAE,YAAY,EAAC,MAAM,SAAS,CAAC;AAE5D,eAAO,MAAM,KAAK;;;CAGf,CAAC;AAEJ,oBAAY,aAAa;IACvB,QAAQ,aAAa;IACrB,QAAQ,aAAa;CACtB;AAED,eAAO,MAAM,gBAAgB,EAAE;IAAE,CAAC,KAAK,EAAE,MAAM,GAAG,MAAM,CAAA;CAGvD,CAAC;AAEF,eAAO,MAAM,sBAAsB,EAAE;IAAE,CAAC,KAAK,EAAE,MAAM,GAAG,qBAAqB,CAAA;CAG5E,CAAC;AAEF,eAAO,MAAM,uBAAuB,EAAE,MAAM,EAAuB,CAAC;AAEpE,qBAAa,oBAAqB,SAAQ,gBAAgB,CAAC,MAAM,EAAE,YAAY,CAAC;gBAClE,GAAG,EAAE,EAAE,CAAC,MAAM;cAIP,UAAU,IAAI,MAAM;cAIpB,gBAAgB,IAAI,aAAa,CAAC,MAAM,EAAE,YAAY,CAAC;WAI5D,WAAW,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,oBAAoB;CAMhE"}
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import * as DG from 'datagrok-api/dg';
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import { UnitsHandlerBase } from '../utils/units-handler-base';
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import { buildDataMolV2000, buildDataMolV3000 } from './molecule-build-data';
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export const Temps = new class {
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constructor() {
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this.uh = `units-handler.${DG.SEMTYPE.MOLECULE}`;
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this.data = `data.${DG.SEMTYPE.MOLECULE}`;
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}
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}();
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export var MoleculeUnits;
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(function (MoleculeUnits) {
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MoleculeUnits["molV2000"] = "molV2000";
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MoleculeUnits["molV3000"] = "molV3000";
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})(MoleculeUnits || (MoleculeUnits = {}));
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export const MoleculeFileExts = {
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[MoleculeUnits.molV2000]: 'mol',
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[MoleculeUnits.molV3000]: 'mol',
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};
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export const MoleculeBuildDataFuncs = {
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[MoleculeUnits.molV2000]: buildDataMolV2000,
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[MoleculeUnits.molV3000]: buildDataMolV3000,
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};
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export const MoleculeNameColumnNames = ['name', 'symbol'];
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export class MoleculeUnitsHandler extends UnitsHandlerBase {
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constructor(col) {
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super(col, DG.SEMTYPE.MOLECULE, MoleculeNameColumnNames);
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}
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getFileExt() {
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return MoleculeFileExts[this.units];
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}
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getBuildDataFunc() {
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return MoleculeBuildDataFuncs[this.units];
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}
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static getOrCreate(col) {
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let res = col.temp[Temps.uh];
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if (!res)
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res = col.temp[Temps.uh] = new MoleculeUnitsHandler(col);
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return res;
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}
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}
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//# sourceMappingURL=molecule-units-handler.js.map
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{"version":3,"file":"molecule-units-handler.js","sourceRoot":"","sources":["molecule-units-handler.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAKtC,OAAO,EAAgB,gBAAgB,EAAC,MAAM,6BAA6B,CAAC;AAC5E,OAAO,EAAC,iBAAiB,EAAE,iBAAiB,EAAC,MAAM,uBAAuB,CAAC;AAG3E,MAAM,CAAC,MAAM,KAAK,GAAG,IAAI;IAAA;QACvB,OAAE,GAAG,iBAAiB,EAAE,CAAC,OAAO,CAAC,QAAQ,EAAE,CAAC;QAC5C,SAAI,GAAG,QAAQ,EAAE,CAAC,OAAO,CAAC,QAAQ,EAAE,CAAC;IACvC,CAAC;CAAA,EAAE,CAAC;AAEJ,MAAM,CAAN,IAAY,aAGX;AAHD,WAAY,aAAa;IACvB,sCAAqB,CAAA;IACrB,sCAAqB,CAAA;AACvB,CAAC,EAHW,aAAa,KAAb,aAAa,QAGxB;AAED,MAAM,CAAC,MAAM,gBAAgB,GAAgC;IAC3D,CAAC,aAAa,CAAC,QAAQ,CAAC,EAAE,KAAK;IAC/B,CAAC,aAAa,CAAC,QAAQ,CAAC,EAAE,KAAK;CAChC,CAAC;AAEF,MAAM,CAAC,MAAM,sBAAsB,GAA+C;IAChF,CAAC,aAAa,CAAC,QAAQ,CAAC,EAAE,iBAAiB;IAC3C,CAAC,aAAa,CAAC,QAAQ,CAAC,EAAE,iBAAiB;CAC5C,CAAC;AAEF,MAAM,CAAC,MAAM,uBAAuB,GAAa,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC;AAEpE,MAAM,OAAO,oBAAqB,SAAQ,gBAAsC;IAC9E,YAAY,GAAc;QACxB,KAAK,CAAC,GAAG,EAAE,EAAE,CAAC,OAAO,CAAC,QAAQ,EAAE,uBAAuB,CAAC,CAAC;IAC3D,CAAC;IAEkB,UAAU;QAC3B,OAAO,gBAAgB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,CAAC;IAEkB,gBAAgB;QACjC,OAAO,sBAAsB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC5C,CAAC;IAEM,MAAM,CAAC,WAAW,CAAC,GAAc;QACtC,IAAI,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC;QAC7B,IAAI,CAAC,GAAG;YACN,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,GAAG,IAAI,oBAAoB,CAAC,GAAG,CAAC,CAAC;QAC3D,OAAO,GAAG,CAAC;IACb,CAAC;CACF"}
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import { BuildDataFunc, DataBase } from '../utils/units-handler-base';
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export declare class MoleculeBase extends DataBase {
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constructor(name?: string);
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}
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export type MoleculeBuildDataFunc = BuildDataFunc<string, MoleculeBase>;
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//# sourceMappingURL=types.d.ts.map
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{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,aAAa,EAAE,QAAQ,EAAC,MAAM,6BAA6B,CAAC;AAEpE,qBAAa,YAAa,SAAQ,QAAQ;gBAC5B,IAAI,CAAC,EAAE,MAAM;CAG1B;AAED,MAAM,MAAM,qBAAqB,GAAG,aAAa,CAAC,MAAM,EAAE,YAAY,CAAC,CAAC"}
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{"version":3,"file":"types.js","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAIA,OAAO,EAAgB,QAAQ,EAAC,MAAM,6BAA6B,CAAC;AAEpE,MAAM,OAAO,YAAa,SAAQ,QAAQ;IACxC,YAAY,IAAa;QACvB,KAAK,CAAC,IAAI,CAAC,CAAC;IACd,CAAC;CACF"}
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{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,sBAAsB,GACvB,MAAM,6BAA6B,CAAC"}
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{"version":3,"file":"index.js","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,sBAAsB,GACvB,MAAM,6BAA6B,CAAC"}
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import { Molecule3DBuildDataFunc } from './types';
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export declare const buildDataPdb: Molecule3DBuildDataFunc;
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export declare const buildDataPdbqt: Molecule3DBuildDataFunc;
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export declare const buildDataMmcif: Molecule3DBuildDataFunc;
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//# sourceMappingURL=molecule-3d-build-data.d.ts.map
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{"version":3,"file":"molecule-3d-build-data.d.ts","sourceRoot":"","sources":["molecule-3d-build-data.ts"],"names":[],"mappings":"AAGA,OAAO,EAAiB,uBAAuB,EAAC,MAAM,SAAS,CAAC;AAGhE,eAAO,MAAM,YAAY,EAAE,uBAE1B,CAAC;AAEF,eAAO,MAAM,cAAc,EAAE,uBAE5B,CAAC;AAEF,eAAO,MAAM,cAAc,EAAE,uBAE5B,CAAC"}
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import { Molecule3DBase } from './types';
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export const buildDataPdb = (src) => {
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return new Molecule3DBase(undefined);
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};
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export const buildDataPdbqt = (src) => {
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return new Molecule3DBase(undefined);
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};
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export const buildDataMmcif = (src) => {
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return new Molecule3DBase(undefined);
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};
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//# sourceMappingURL=molecule-3d-build-data.js.map
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{"version":3,"file":"molecule-3d-build-data.js","sourceRoot":"","sources":["molecule-3d-build-data.ts"],"names":[],"mappings":"AAGA,OAAO,EAAC,cAAc,EAA0B,MAAM,SAAS,CAAC;AAGhE,MAAM,CAAC,MAAM,YAAY,GAA4B,CAAC,GAAQ,EAAkB,EAAE;IAChF,OAAO,IAAI,cAAc,CAAC,SAAS,CAAC,CAAC;AACvC,CAAC,CAAC;AAEF,MAAM,CAAC,MAAM,cAAc,GAA4B,CAAC,GAAQ,EAAkB,EAAE;IAClF,OAAO,IAAI,cAAc,CAAC,SAAS,CAAC,CAAC;AACvC,CAAC,CAAC;AAEF,MAAM,CAAC,MAAM,cAAc,GAA4B,CAAC,GAAQ,EAAkB,EAAE;IAClF,OAAO,IAAI,cAAc,CAAC,SAAS,CAAC,CAAC;AACvC,CAAC,CAAC"}
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+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { BuildDataFunc, UnitsHandlerBase } from '../utils/units-handler-base';
|
|
3
|
+
import { Molecule3DBase, Molecule3DBuildDataFunc } from './types';
|
|
4
|
+
export declare const Temps: {
|
|
5
|
+
uh: string;
|
|
6
|
+
data: string;
|
|
7
|
+
};
|
|
8
|
+
export declare enum Molecule3DUnits {
|
|
9
|
+
pdb = "pdb",
|
|
10
|
+
pdbqt = "pdbqt",
|
|
11
|
+
mmcif = "mmcif"
|
|
12
|
+
}
|
|
13
|
+
export declare const Molecule3DFileExts: {
|
|
14
|
+
[units: string]: string;
|
|
15
|
+
};
|
|
16
|
+
export declare const Molecule3DBuildDataFuncs: {
|
|
17
|
+
[units: string]: Molecule3DBuildDataFunc;
|
|
18
|
+
};
|
|
19
|
+
export declare const Molecule3DNameColumnNames: string[];
|
|
20
|
+
export declare class Molecule3DUnitsHandler extends UnitsHandlerBase<any, Molecule3DBase> {
|
|
21
|
+
constructor(col: DG.Column);
|
|
22
|
+
protected getFileExt(): string;
|
|
23
|
+
protected getBuildDataFunc(): BuildDataFunc<any, Molecule3DBase>;
|
|
24
|
+
static getOrCreate(col: DG.Column): Molecule3DUnitsHandler;
|
|
25
|
+
}
|
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26
|
+
//# sourceMappingURL=molecule-3d-units-handler.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-3d-units-handler.d.ts","sourceRoot":"","sources":["molecule-3d-units-handler.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAGtC,OAAO,EAAC,aAAa,EAAE,gBAAgB,EAAC,MAAM,6BAA6B,CAAC;AAC5E,OAAO,EAAC,cAAc,EAAE,uBAAuB,EAAC,MAAM,SAAS,CAAC;AAGhE,eAAO,MAAM,KAAK;;;CAGf,CAAC;AAEJ,oBAAY,eAAe;IACzB,GAAG,QAAQ;IACX,KAAK,UAAU;IACf,KAAK,UAAU;CAChB;AAED,eAAO,MAAM,kBAAkB,EAAE;IAAE,CAAC,KAAK,EAAE,MAAM,GAAG,MAAM,CAAA;CAIzD,CAAC;AAEF,eAAO,MAAM,wBAAwB,EAAE;IAAE,CAAC,KAAK,EAAE,MAAM,GAAG,uBAAuB,CAAA;CAIhF,CAAC;AAEF,eAAO,MAAM,yBAAyB,EAAE,MAAM,EAAuB,CAAC;AAGtE,qBAAa,sBAAuB,SAAQ,gBAAgB,CAAC,GAAG,EAAE,cAAc,CAAC;gBACnE,GAAG,EAAE,EAAE,CAAC,MAAM;IAI1B,SAAS,CAAC,UAAU,IAAI,MAAM;IAI9B,SAAS,CAAC,gBAAgB,IAAI,aAAa,CAAC,GAAG,EAAE,cAAc,CAAC;WAIlD,WAAW,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,sBAAsB;CAMlE"}
|
|
@@ -0,0 +1,44 @@
|
|
|
1
|
+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { UnitsHandlerBase } from '../utils/units-handler-base';
|
|
3
|
+
import { buildDataMmcif, buildDataPdb, buildDataPdbqt } from './molecule-3d-build-data';
|
|
4
|
+
export const Temps = new class {
|
|
5
|
+
constructor() {
|
|
6
|
+
this.uh = `units-handler.${DG.SEMTYPE.MOLECULE3D}`;
|
|
7
|
+
this.data = `data.${DG.SEMTYPE.MOLECULE3D}`;
|
|
8
|
+
}
|
|
9
|
+
}();
|
|
10
|
+
export var Molecule3DUnits;
|
|
11
|
+
(function (Molecule3DUnits) {
|
|
12
|
+
Molecule3DUnits["pdb"] = "pdb";
|
|
13
|
+
Molecule3DUnits["pdbqt"] = "pdbqt";
|
|
14
|
+
Molecule3DUnits["mmcif"] = "mmcif";
|
|
15
|
+
})(Molecule3DUnits || (Molecule3DUnits = {}));
|
|
16
|
+
export const Molecule3DFileExts = {
|
|
17
|
+
[Molecule3DUnits.pdb]: 'pdb',
|
|
18
|
+
[Molecule3DUnits.pdbqt]: 'pdbqt',
|
|
19
|
+
[Molecule3DUnits.mmcif]: 'mmcif',
|
|
20
|
+
};
|
|
21
|
+
export const Molecule3DBuildDataFuncs = {
|
|
22
|
+
[Molecule3DUnits.pdb]: buildDataPdb,
|
|
23
|
+
[Molecule3DUnits.pdbqt]: buildDataPdbqt,
|
|
24
|
+
[Molecule3DUnits.mmcif]: buildDataMmcif,
|
|
25
|
+
};
|
|
26
|
+
export const Molecule3DNameColumnNames = ['name', 'symbol'];
|
|
27
|
+
export class Molecule3DUnitsHandler extends UnitsHandlerBase {
|
|
28
|
+
constructor(col) {
|
|
29
|
+
super(col, DG.SEMTYPE.MOLECULE3D, Molecule3DNameColumnNames);
|
|
30
|
+
}
|
|
31
|
+
getFileExt() {
|
|
32
|
+
return Molecule3DFileExts[this.units];
|
|
33
|
+
}
|
|
34
|
+
getBuildDataFunc() {
|
|
35
|
+
return Molecule3DBuildDataFuncs[this.units];
|
|
36
|
+
}
|
|
37
|
+
static getOrCreate(col) {
|
|
38
|
+
let res = col.temp[Temps.uh];
|
|
39
|
+
if (!res)
|
|
40
|
+
res = col.temp[Temps.uh] = new Molecule3DUnitsHandler(col);
|
|
41
|
+
return res;
|
|
42
|
+
}
|
|
43
|
+
}
|
|
44
|
+
//# sourceMappingURL=molecule-3d-units-handler.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-3d-units-handler.js","sourceRoot":"","sources":["molecule-3d-units-handler.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAGtC,OAAO,EAAgB,gBAAgB,EAAC,MAAM,6BAA6B,CAAC;AAE5E,OAAO,EAAC,cAAc,EAAE,YAAY,EAAE,cAAc,EAAC,MAAM,0BAA0B,CAAC;AAEtF,MAAM,CAAC,MAAM,KAAK,GAAG,IAAI;IAAA;QACvB,OAAE,GAAG,iBAAiB,EAAE,CAAC,OAAO,CAAC,UAAU,EAAE,CAAC;QAC9C,SAAI,GAAG,QAAQ,EAAE,CAAC,OAAO,CAAC,UAAU,EAAE,CAAC;IACzC,CAAC;CAAA,EAAE,CAAC;AAEJ,MAAM,CAAN,IAAY,eAIX;AAJD,WAAY,eAAe;IACzB,8BAAW,CAAA;IACX,kCAAe,CAAA;IACf,kCAAe,CAAA;AACjB,CAAC,EAJW,eAAe,KAAf,eAAe,QAI1B;AAED,MAAM,CAAC,MAAM,kBAAkB,GAAgC;IAC7D,CAAC,eAAe,CAAC,GAAG,CAAC,EAAE,KAAK;IAC5B,CAAC,eAAe,CAAC,KAAK,CAAC,EAAE,OAAO;IAChC,CAAC,eAAe,CAAC,KAAK,CAAC,EAAE,OAAO;CACjC,CAAC;AAEF,MAAM,CAAC,MAAM,wBAAwB,GAAiD;IACpF,CAAC,eAAe,CAAC,GAAG,CAAC,EAAE,YAAY;IACnC,CAAC,eAAe,CAAC,KAAK,CAAC,EAAE,cAAc;IACvC,CAAC,eAAe,CAAC,KAAK,CAAC,EAAE,cAAc;CACxC,CAAC;AAEF,MAAM,CAAC,MAAM,yBAAyB,GAAa,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC;AAGtE,MAAM,OAAO,sBAAuB,SAAQ,gBAAqC;IAC/E,YAAY,GAAc;QACxB,KAAK,CAAC,GAAG,EAAE,EAAE,CAAC,OAAO,CAAC,UAAU,EAAE,yBAAyB,CAAC,CAAC;IAC/D,CAAC;IAES,UAAU;QAClB,OAAO,kBAAkB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACxC,CAAC;IAES,gBAAgB;QACxB,OAAO,wBAAwB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC9C,CAAC;IAEM,MAAM,CAAC,WAAW,CAAC,GAAc;QACtC,IAAI,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC;QAC7B,IAAI,CAAC,GAAG;YACN,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,GAAG,IAAI,sBAAsB,CAAC,GAAG,CAAC,CAAC;QAC7D,OAAO,GAAG,CAAC;IACb,CAAC;CACF"}
|
|
@@ -0,0 +1,6 @@
|
|
|
1
|
+
import { BuildDataFunc, DataBase } from '../utils/units-handler-base';
|
|
2
|
+
export declare class Molecule3DBase extends DataBase {
|
|
3
|
+
constructor(name?: string);
|
|
4
|
+
}
|
|
5
|
+
export type Molecule3DBuildDataFunc = BuildDataFunc<any, Molecule3DBase>;
|
|
6
|
+
//# sourceMappingURL=types.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,aAAa,EAAE,QAAQ,EAAC,MAAM,6BAA6B,CAAC;AAEpE,qBAAa,cAAe,SAAQ,QAAQ;gBAC9B,IAAI,CAAC,EAAE,MAAM;CAG1B;AAED,MAAM,MAAM,uBAAuB,GAAG,aAAa,CAAC,GAAG,EAAE,cAAc,CAAC,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"types.js","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAIA,OAAO,EAAgB,QAAQ,EAAC,MAAM,6BAA6B,CAAC;AAEpE,MAAM,OAAO,cAAe,SAAQ,QAAQ;IAC1C,YAAY,IAAa;QACvB,KAAK,CAAC,IAAI,CAAC,CAAC;IACd,CAAC;CACF"}
|
|
@@ -17,8 +17,6 @@ export interface IMonomerLibHelper {
|
|
|
17
17
|
loadLibraries(reload?: boolean): Promise<void>;
|
|
18
18
|
/** Reads library from file shares, handles .json and .sdf */
|
|
19
19
|
readLibrary(path: string, fileName: string): Promise<IMonomerLib>;
|
|
20
|
-
/** Reset user settings to the specified library. WARNING: clears user * settings */
|
|
21
|
-
selectSpecifiedLibraries(libFileNameList: string[]): Promise<void>;
|
|
22
20
|
}
|
|
23
21
|
export declare function getMonomerLibHelper(): Promise<IMonomerLibHelper>;
|
|
24
22
|
/** Calculates chemical similarity between reference sequence and list of sequences.
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"monomer-utils.d.ts","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAOtC,OAAO,EAAC,WAAW,EAAC,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EAAC,YAAY,EAAe,MAAM,8BAA8B,CAAC;AAIxE,wBAAgB,cAAc,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM,GAAG,IAAI,CAuB/D;AAED,wBAAgB,kBAAkB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAsB3F;AAED,wBAAgB,wBAAwB,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAmBhG;AAED,wBAAgB,qBAAqB,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG;IAAE,CAAC,GAAG,EAAE,MAAM,GAAG,MAAM,GAAG,GAAG,CAAA;CAAE,CAYjF;AAGD,wBAAgB,2BAA2B,CAAC,KAAK,EAAE,EAAE,CAAC,SAAS,GAAG,GAAG,CA8BpE;AAED,MAAM,WAAW,iBAAiB;IAChC,gCAAgC;IAChC,SAAS,IAAI,WAAW,CAAC;IAEzB;;OAEG;IACH,aAAa,CAAC,MAAM,CAAC,EAAE,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE/C,6DAA6D;IAC7D,WAAW,CAAC,IAAI,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,WAAW,CAAC,CAAC;
|
|
1
|
+
{"version":3,"file":"monomer-utils.d.ts","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAOtC,OAAO,EAAC,WAAW,EAAC,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EAAC,YAAY,EAAe,MAAM,8BAA8B,CAAC;AAIxE,wBAAgB,cAAc,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM,GAAG,IAAI,CAuB/D;AAED,wBAAgB,kBAAkB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAsB3F;AAED,wBAAgB,wBAAwB,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAmBhG;AAED,wBAAgB,qBAAqB,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG;IAAE,CAAC,GAAG,EAAE,MAAM,GAAG,MAAM,GAAG,GAAG,CAAA;CAAE,CAYjF;AAGD,wBAAgB,2BAA2B,CAAC,KAAK,EAAE,EAAE,CAAC,SAAS,GAAG,GAAG,CA8BpE;AAED,MAAM,WAAW,iBAAiB;IAChC,gCAAgC;IAChC,SAAS,IAAI,WAAW,CAAC;IAEzB;;OAEG;IACH,aAAa,CAAC,MAAM,CAAC,EAAE,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE/C,6DAA6D;IAC7D,WAAW,CAAC,IAAI,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,WAAW,CAAC,CAAC;CACnE;AAED,wBAAsB,mBAAmB,IAAI,OAAO,CAAC,iBAAiB,CAAC,CAOtE;AAED;;;;;0EAK0E;AAC1E,wBAAsB,sBAAsB,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,iBAAiB,EAAE,YAAY,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;AAC1I,wBAAsB,sBAAsB,CAAC,eAAe,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,EAAE,iBAAiB,EAAE,YAAY,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;AA0DhJ;;+KAE+K;AAC/K,wBAAsB,0BAA0B,CAAC,UAAU,EAAE,MAAM,EAAE,GAClE,OAAO,CAAC;IAAC,aAAa,EAAE,MAAM,EAAE,EAAE,CAAC;IAAC,eAAe,EAAE;QAAC,CAAC,SAAS,EAAE,MAAM,GAAG,MAAM,CAAA;KAAC,CAAA;CAAC,CAAC,CAoBtF"}
|
|
@@ -144,7 +144,7 @@ export async function sequenceChemSimilarity(positionColumns, referenceSequence)
|
|
|
144
144
|
rawCols[position] = { categories: monomerColCategories, data: monomerColData, emptyIndex: emptyCategoryIdx };
|
|
145
145
|
if (typeof referenceMonomer === 'undefined')
|
|
146
146
|
continue;
|
|
147
|
-
// Calculating similarity for
|
|
147
|
+
// Calculating similarity for
|
|
148
148
|
const molCol = DG.Column.fromStrings('smiles', monomerColCategories.map((cat) => monomerLib.getMonomer('PEPTIDE', cat)?.smiles ?? ''));
|
|
149
149
|
const _df = DG.DataFrame.fromColumns([molCol]); // getSimilarities expects that column is in dataframe
|
|
150
150
|
const similarityCol = (await grok.chem.getSimilarities(molCol, referenceMol));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
@@ -0,0 +1,23 @@
|
|
|
1
|
+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
export declare abstract class DataBase {
|
|
3
|
+
readonly name?: string | undefined;
|
|
4
|
+
protected constructor(name?: string | undefined);
|
|
5
|
+
}
|
|
6
|
+
export type BuildDataFunc<TValue, TData extends DataBase> = (src: TValue) => TData;
|
|
7
|
+
export declare abstract class UnitsHandlerBase<TValue, TData extends DataBase = DataBase> {
|
|
8
|
+
protected readonly column: DG.Column<TValue>;
|
|
9
|
+
protected readonly requiredSemType: string;
|
|
10
|
+
protected readonly nameColNames: string[];
|
|
11
|
+
readonly units: string;
|
|
12
|
+
protected constructor(column: DG.Column<TValue>, requiredSemType: string, nameColNames: string[]);
|
|
13
|
+
protected _data: TData[] | undefined;
|
|
14
|
+
get data(): TData[];
|
|
15
|
+
protected _nameCol: DG.Column<string> | null | undefined;
|
|
16
|
+
get nameCol(): DG.Column<string> | null;
|
|
17
|
+
protected _fileExt: string | undefined;
|
|
18
|
+
fileExt(): string;
|
|
19
|
+
protected abstract getBuildDataFunc(): BuildDataFunc<TValue, TData>;
|
|
20
|
+
protected abstract getFileExt(): string;
|
|
21
|
+
getFileName(cell: DG.Cell): string;
|
|
22
|
+
}
|
|
23
|
+
//# sourceMappingURL=units-handler-base.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"units-handler-base.d.ts","sourceRoot":"","sources":["units-handler-base.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAOtC,8BAAsB,QAAQ;aAEV,IAAI,CAAC;IADvB,SAAS,aACS,IAAI,CAAC,oBAAQ;CAEhC;AAED,MAAM,MAAM,aAAa,CAAC,MAAM,EAAE,KAAK,SAAS,QAAQ,IAAI,CAAC,GAAG,EAAE,MAAM,KAAK,KAAK,CAAC;AAGnF,8BAAsB,gBAAgB,CAAC,MAAM,EAAE,KAAK,SAAS,QAAQ,GAAG,QAAQ;IAI5E,SAAS,CAAC,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC;IAC5C,SAAS,CAAC,QAAQ,CAAC,eAAe,EAAE,MAAM;IAC1C,SAAS,CAAC,QAAQ,CAAC,YAAY,EAAE,MAAM,EAAE;IAL3C,SAAgB,KAAK,EAAE,MAAM,CAAC;IAE9B,SAAS,aACY,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EACzB,eAAe,EAAE,MAAM,EACvB,YAAY,EAAE,MAAM,EAAE;IAW3C,SAAS,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;IAErC,IAAW,IAAI,IAAI,KAAK,EAAE,CAUzB;IAED,SAAS,CAAC,QAAQ,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,IAAI,GAAG,SAAS,CAAC;IAEzD,IAAW,OAAO,IAAI,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,IAAI,CAgB7C;IAED,SAAS,CAAC,QAAQ,EAAE,MAAM,GAAG,SAAS,CAAC;IAEhC,OAAO,IAAI,MAAM;IAMxB,SAAS,CAAC,QAAQ,CAAC,gBAAgB,IAAI,aAAa,CAAC,MAAM,EAAE,KAAK,CAAC;IAEnE,SAAS,CAAC,QAAQ,CAAC,UAAU,IAAI,MAAM;IAEhC,WAAW,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,GAAG,MAAM;CAS1C"}
|
|
@@ -0,0 +1,64 @@
|
|
|
1
|
+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import wu from 'wu';
|
|
3
|
+
export class DataBase {
|
|
4
|
+
constructor(name) {
|
|
5
|
+
this.name = name;
|
|
6
|
+
}
|
|
7
|
+
}
|
|
8
|
+
export class UnitsHandlerBase {
|
|
9
|
+
constructor(column, requiredSemType, nameColNames) {
|
|
10
|
+
this.column = column;
|
|
11
|
+
this.requiredSemType = requiredSemType;
|
|
12
|
+
this.nameColNames = nameColNames;
|
|
13
|
+
if (this.column.semType !== requiredSemType) {
|
|
14
|
+
throw new Error(`Invalid semantic type '${this.column.semType} of column '${this.column.name}', ` +
|
|
15
|
+
`expected '${requiredSemType}'.`);
|
|
16
|
+
}
|
|
17
|
+
this.units = this.column.getTag(DG.TAGS.UNITS);
|
|
18
|
+
if (!this.units)
|
|
19
|
+
throw new Error(`Units not specified in column '${this.column.name}'.`);
|
|
20
|
+
}
|
|
21
|
+
get data() {
|
|
22
|
+
if (this._data === undefined) {
|
|
23
|
+
const buildDataFunc = this.getBuildDataFunc();
|
|
24
|
+
this._data = wu.count(0).take(this.column.length)
|
|
25
|
+
.map((rowI) => {
|
|
26
|
+
const v = this.column.get(rowI);
|
|
27
|
+
return buildDataFunc(v);
|
|
28
|
+
}).toArray();
|
|
29
|
+
}
|
|
30
|
+
return this._data;
|
|
31
|
+
}
|
|
32
|
+
get nameCol() {
|
|
33
|
+
if (this._nameCol === undefined) {
|
|
34
|
+
this._nameCol = wu(this.column.dataFrame.columns)
|
|
35
|
+
.find((c) => {
|
|
36
|
+
return c.type === DG.COLUMN_TYPE.STRING && this.nameColNames.includes(c.name.toLowerCase());
|
|
37
|
+
});
|
|
38
|
+
}
|
|
39
|
+
if (this._nameCol === undefined) {
|
|
40
|
+
this._nameCol = wu(this.column.dataFrame.columns)
|
|
41
|
+
.find((c) => {
|
|
42
|
+
return c.type === DG.COLUMN_TYPE.STRING && this.nameColNames.some((cn) => c.name.includes(cn));
|
|
43
|
+
});
|
|
44
|
+
}
|
|
45
|
+
if (this._nameCol === undefined)
|
|
46
|
+
this._nameCol = null;
|
|
47
|
+
return this._nameCol;
|
|
48
|
+
}
|
|
49
|
+
fileExt() {
|
|
50
|
+
if (this._fileExt === undefined)
|
|
51
|
+
this._fileExt = this.getFileExt();
|
|
52
|
+
return this._fileExt;
|
|
53
|
+
}
|
|
54
|
+
getFileName(cell) {
|
|
55
|
+
let name = this.data[cell.rowIndex].name;
|
|
56
|
+
const nameCol = this.nameCol;
|
|
57
|
+
if (!name && nameCol != null)
|
|
58
|
+
name = nameCol.get(cell.rowIndex) ?? undefined;
|
|
59
|
+
if (!name)
|
|
60
|
+
name = 'file';
|
|
61
|
+
return `${name}.${this.getFileExt()}`;
|
|
62
|
+
}
|
|
63
|
+
}
|
|
64
|
+
//# sourceMappingURL=units-handler-base.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"units-handler-base.js","sourceRoot":"","sources":["units-handler-base.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAGtC,OAAO,EAAE,MAAM,IAAI,CAAC;AAIpB,MAAM,OAAgB,QAAQ;IAC5B,YACkB,IAAa;QAAb,SAAI,GAAJ,IAAI,CAAS;IAC5B,CAAC;CACL;AAKD,MAAM,OAAgB,gBAAgB;IAGpC,YACqB,MAAyB,EACzB,eAAuB,EACvB,YAAsB;QAFtB,WAAM,GAAN,MAAM,CAAmB;QACzB,oBAAe,GAAf,eAAe,CAAQ;QACvB,iBAAY,GAAZ,YAAY,CAAU;QAEzC,IAAI,IAAI,CAAC,MAAM,CAAC,OAAO,KAAK,eAAe,EAAE;YAC3C,MAAM,IAAI,KAAK,CAAC,0BAA0B,IAAI,CAAC,MAAM,CAAC,OAAO,eAAe,IAAI,CAAC,MAAM,CAAC,IAAI,KAAK;gBAC/F,aAAa,eAAe,IAAI,CAAC,CAAC;SACrC;QACD,IAAI,CAAC,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAkB,CAAC;QAChE,IAAI,CAAC,IAAI,CAAC,KAAK;YACb,MAAM,IAAI,KAAK,CAAC,kCAAkC,IAAI,CAAC,MAAM,CAAC,IAAI,IAAI,CAAC,CAAC;IAC5E,CAAC;IAID,IAAW,IAAI;QACb,IAAI,IAAI,CAAC,KAAK,KAAK,SAAS,EAAE;YAC5B,MAAM,aAAa,GAAiC,IAAI,CAAC,gBAAgB,EAAE,CAAC;YAC5E,IAAI,CAAC,KAAK,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC;iBAC9C,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE;gBACZ,MAAM,CAAC,GAAG,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;gBAChC,OAAO,aAAa,CAAC,CAAE,CAAC,CAAC;YAC3B,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;SAChB;QACD,OAAO,IAAI,CAAC,KAAK,CAAC;IACpB,CAAC;IAID,IAAW,OAAO;QAChB,IAAI,IAAI,CAAC,QAAQ,KAAK,SAAS,EAAE;YAC/B,IAAI,CAAC,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,OAAO,CAAC;iBAC9C,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE;gBACV,OAAO,CAAC,CAAC,IAAI,KAAK,EAAE,CAAC,WAAW,CAAC,MAAM,IAAI,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,WAAW,EAAE,CAAC,CAAC;YAC9F,CAAC,CAAsB,CAAC;SAC3B;QACD,IAAI,IAAI,CAAC,QAAQ,KAAK,SAAS,EAAE;YAC/B,IAAI,CAAC,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,OAAO,CAAC;iBAC9C,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE;gBACV,OAAO,CAAC,CAAC,IAAI,KAAK,EAAE,CAAC,WAAW,CAAC,MAAM,IAAI,IAAI,CAAC,YAAY,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,CAAC,CAAC,CAAC;YACjG,CAAC,CAAC,CAAC;SACN;QACD,IAAI,IAAI,CAAC,QAAQ,KAAK,SAAS;YAC7B,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC;QACvB,OAAO,IAAI,CAAC,QAAQ,CAAC;IACvB,CAAC;IAIM,OAAO;QACZ,IAAI,IAAI,CAAC,QAAQ,KAAK,SAAS;YAC7B,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC,UAAU,EAAE,CAAC;QACpC,OAAO,IAAI,CAAC,QAAQ,CAAC;IACvB,CAAC;IAMM,WAAW,CAAC,IAAa;QAC9B,IAAI,IAAI,GAAuB,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC,IAAI,CAAC;QAC7D,MAAM,OAAO,GAAG,IAAI,CAAC,OAAO,CAAC;QAC7B,IAAI,CAAC,IAAI,IAAI,OAAO,IAAI,IAAI;YAC1B,IAAI,GAAG,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,QAAQ,CAAC,IAAI,SAAS,CAAC;QACjD,IAAI,CAAC,IAAI;YACP,IAAI,GAAG,MAAM,CAAC;QAChB,OAAO,GAAG,IAAI,IAAI,IAAI,CAAC,UAAU,EAAE,EAAE,CAAC;IACxC,CAAC;CACF"}
|
|
@@ -3,9 +3,9 @@ import { NOTATION } from './macromolecule';
|
|
|
3
3
|
import { ISeqSplitted, SeqColStats, SplitterFunc } from './macromolecule/types';
|
|
4
4
|
import { MmDistanceFunctionsNames } from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
|
|
5
5
|
import { mmDistanceFunctionType } from '@datagrok-libraries/ml/src/macromolecule-distance-functions/types';
|
|
6
|
-
export declare const
|
|
6
|
+
export declare const Temps: {
|
|
7
7
|
/** Column's temp slot name for a UnitsHandler object */
|
|
8
|
-
|
|
8
|
+
uh: string;
|
|
9
9
|
};
|
|
10
10
|
export declare const GapSymbols: {
|
|
11
11
|
[units: string]: string;
|
|
@@ -17,9 +17,9 @@ export type JoinerFunc = (src: ISeqSplitted) => string;
|
|
|
17
17
|
*/
|
|
18
18
|
export declare class UnitsHandler {
|
|
19
19
|
protected readonly _column: DG.Column;
|
|
20
|
-
protected _units: string;
|
|
21
|
-
protected _notation: NOTATION;
|
|
22
|
-
protected _defaultGapSymbol: string;
|
|
20
|
+
protected readonly _units: string;
|
|
21
|
+
protected readonly _notation: NOTATION;
|
|
22
|
+
protected readonly _defaultGapSymbol: string;
|
|
23
23
|
private _splitter;
|
|
24
24
|
static setUnitsToFastaColumn(uh: UnitsHandler): void;
|
|
25
25
|
static setUnitsToSeparatorColumn(uh: UnitsHandler, separator?: string): void;
|
|
@@ -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,
|
|
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;IAyC1F,SAAS,IAAI,UAAU;IAavB,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"}
|
|
@@ -5,10 +5,10 @@ import { detectAlphabet, getSplitterForColumn, getSplitterWithSeparator, splitte
|
|
|
5
5
|
import { mmDistanceFunctions, MmDistanceFunctionsNames } from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
|
|
6
6
|
import { getMonomerLibHelper } from '../monomer-works/monomer-utils';
|
|
7
7
|
import { HELM_WRAPPERS_REGEXP, PHOSPHATE_SYMBOL } from './const';
|
|
8
|
-
export const
|
|
8
|
+
export const Temps = new class {
|
|
9
9
|
constructor() {
|
|
10
10
|
/** Column's temp slot name for a UnitsHandler object */
|
|
11
|
-
this.
|
|
11
|
+
this.uh = `units-handler.${DG.SEMTYPE.MACROMOLECULE}`;
|
|
12
12
|
}
|
|
13
13
|
}();
|
|
14
14
|
export const GapSymbols = {
|
|
@@ -508,7 +508,7 @@ export class UnitsHandler {
|
|
|
508
508
|
this._stats = null;
|
|
509
509
|
this._maxLength = null;
|
|
510
510
|
this._posList = null;
|
|
511
|
-
if (col.type
|
|
511
|
+
if (col.type !== DG.TYPE.STRING)
|
|
512
512
|
throw new Error(`Unexpected column type '${col.type}', must be '${DG.TYPE.STRING}'.`);
|
|
513
513
|
this._column = col;
|
|
514
514
|
const units = this._column.getTag(DG.TAGS.UNITS);
|
|
@@ -554,9 +554,10 @@ export class UnitsHandler {
|
|
|
554
554
|
}
|
|
555
555
|
/** Gets a column's UnitsHandler object from temp slot or creates a new and stores it to the temp slot. */
|
|
556
556
|
static getOrCreate(col) {
|
|
557
|
-
|
|
558
|
-
|
|
559
|
-
|
|
557
|
+
let res = col.temp[Temps.uh];
|
|
558
|
+
if (!res)
|
|
559
|
+
res = col.temp[Temps.uh] = new UnitsHandler(col);
|
|
560
|
+
return res;
|
|
560
561
|
}
|
|
561
562
|
}
|
|
562
563
|
function joinToFasta(srcUh, seqS) {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
|
@@ -0,0 +1,12 @@
|
|
|
1
|
+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { IViewer } from './viewer';
|
|
3
|
+
export declare const BiotrackPropsDefault: {};
|
|
4
|
+
export type BiotrackProps = typeof BiotrackPropsDefault;
|
|
5
|
+
export interface IBiotrackViewer extends IViewer {
|
|
6
|
+
}
|
|
7
|
+
declare module 'datagrok-api/dg' {
|
|
8
|
+
interface DataFramePlotHelper {
|
|
9
|
+
fromType(viewerType: 'Biotrack', options: Partial<BiotrackProps>): Promise<DG.Viewer<BiotrackProps> & IBiotrackViewer>;
|
|
10
|
+
}
|
|
11
|
+
}
|
|
12
|
+
//# sourceMappingURL=biotrack.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"biotrack.d.ts","sourceRoot":"","sources":["biotrack.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAItC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AAEjC,eAAO,MAAM,oBAAoB,IAE9B,CAAC;AAEJ,MAAM,MAAM,aAAa,GAAG,OAAO,oBAAoB,CAAC;AAExD,MAAM,WAAW,eAAgB,SAAQ,OAAO;CAE/C;AAED,OAAO,QAAQ,iBAAiB,CAAC;IAC/B,UAAU,mBAAmB;QAE3B,QAAQ,CAAC,UAAU,EAAE,UAAU,EAAE,OAAO,EAAE,OAAO,CAAC,aAAa,CAAC,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,aAAa,CAAC,GAAG,eAAe,CAAC,CAAC;KACxH;CACF"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"biotrack.js","sourceRoot":"","sources":["biotrack.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,MAAM,oBAAoB,GAAG,IAAI;CAEvC,EAAE,CAAC"}
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
export type Molecule3DData = {
|
|
2
|
+
/** Base64 encoded structure data (for text and binary) */ data: string;
|
|
3
|
+
/** File extension, data format */ ext: string;
|
|
4
|
+
};
|
|
5
|
+
export declare enum DockingTags {
|
|
6
|
+
dockingRole = "docking.role",
|
|
7
|
+
dockingTarget = "docking.target"
|
|
8
|
+
}
|
|
9
|
+
export declare enum DockingRole {
|
|
10
|
+
target = "target",
|
|
11
|
+
ligand = "ligand"
|
|
12
|
+
}
|
|
13
|
+
export type DockingTargetData = Molecule3DData;
|
|
14
|
+
export type DockingLigandData = Molecule3DData;
|
|
15
|
+
export interface IMolecule3DBrowser {
|
|
16
|
+
showStructure(data: Molecule3DData): void;
|
|
17
|
+
}
|
|
18
|
+
//# sourceMappingURL=molecule3d.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule3d.d.ts","sourceRoot":"","sources":["molecule3d.ts"],"names":[],"mappings":"AAIA,MAAM,MAAM,cAAc,GAAG;IAC3B,0DAA0D,CAAC,IAAI,EAAE,MAAM,CAAC;IACxE,kCAAkC,CAAC,GAAG,EAAE,MAAM,CAAC;CAChD,CAAC;AAEF,oBAAY,WAAW;IACrB,WAAW,iBAAiB;IAC5B,aAAa,mBAAmB;CACjC;AAED,oBAAY,WAAW;IACrB,MAAM,WAAW;IACjB,MAAM,WAAW;CAClB;AAED,MAAM,MAAM,iBAAiB,GAAG,cAAc,CAAC;AAC/C,MAAM,MAAM,iBAAiB,GAAG,cAAc,CAAC;AAE/C,MAAM,WAAW,kBAAkB;IAEjC,aAAa,CAAC,IAAI,EAAE,cAAc,GAAG,IAAI,CAAC;CAC3C"}
|
|
@@ -0,0 +1,12 @@
|
|
|
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export var DockingTags;
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})(DockingTags || (DockingTags = {}));
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export var DockingRole;
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(function (DockingRole) {
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})(DockingRole || (DockingRole = {}));
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;
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//# sourceMappingURL=molecule3d.js.map
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{"version":3,"file":"molecule3d.js","sourceRoot":"","sources":["molecule3d.ts"],"names":[],"mappings":"AASA,MAAM,CAAN,IAAY,WAGX;AAHD,WAAY,WAAW;IACrB,2CAA4B,CAAA;IAC5B,+CAAgC,CAAA;AAClC,CAAC,EAHW,WAAW,KAAX,WAAW,QAGtB;AAED,MAAM,CAAN,IAAY,WAGX;AAHD,WAAY,WAAW;IACrB,gCAAiB,CAAA;IACjB,gCAAiB,CAAA;AACnB,CAAC,EAHW,WAAW,KAAX,WAAW,QAGtB;AAAA,CAAC"}
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@@ -32,7 +32,7 @@ export type MolstarDataType = {
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dataJson: string;
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pdb: string | null;
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pdbTag: string | null;
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ligandColumnName: string | null;
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@@ -72,7 +72,7 @@ export declare const BiostructurePropsDefault: {
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modelUrlProviders: string;
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showExportControls: boolean;
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export type BiostructureProps =
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export type BiostructureProps = typeof BiostructurePropsDefault;
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export interface IBiostructureViewer extends IViewer {
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@@ -81,7 +81,7 @@ export interface ISaguaroViewer extends IViewer {
|
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declare module 'datagrok-api/dg' {
|
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interface DataFramePlotHelper {
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-
fromType(viewerType: 'Biostructure', options: Partial<BiostructureProps>): Promise<DG.Viewer & IBiostructureViewer>;
|
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fromType(viewerType: 'Biostructure', options: Partial<BiostructureProps>): Promise<DG.Viewer<BiostructureProps> & IBiostructureViewer>;
|
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}
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}
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//# sourceMappingURL=molstar-viewer.d.ts.map
|
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@@ -1 +1 @@
|
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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;
|
|
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,MAAM,MAAM,eAAe,GAAG;IAC5B,GAAG,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,GAAG,UAAU,CAAC;IAAC,OAAO,CAAC,EAAE;QAAE,SAAS,CAAC,EAAE,MAAM,CAAC;KAAE,CAAC;CAC3E,CAAC;AAEF,eAAO,MAAM,wBAAwB;cAEzB,MAAM;SACX,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"}
|
|
@@ -1,3 +1,4 @@
|
|
|
1
|
+
import { TAGS as pdbTAGS } from '../pdb/index';
|
|
1
2
|
export var RepresentationType;
|
|
2
3
|
(function (RepresentationType) {
|
|
3
4
|
RepresentationType["Cartoon"] = "cartoon";
|
|
@@ -28,9 +29,9 @@ export var PluginLayoutControlsDisplayType;
|
|
|
28
29
|
export const BiostructurePropsDefault = new class {
|
|
29
30
|
constructor() {
|
|
30
31
|
// -- Data --
|
|
31
|
-
this.
|
|
32
|
+
this.dataJson = 'null';
|
|
32
33
|
this.pdb = null;
|
|
33
|
-
this.pdbTag =
|
|
34
|
+
this.pdbTag = pdbTAGS.PDB;
|
|
34
35
|
this.ligandColumnName = null;
|
|
35
36
|
this.pdbProvider = 'rcsb';
|
|
36
37
|
this.emdbProvider = 'rcsb';
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"molstar-viewer.js","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"
|
|
1
|
+
{"version":3,"file":"molstar-viewer.js","sourceRoot":"","sources":["molstar-viewer.ts"],"names":[],"mappings":"AAMA,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;AAMD,MAAM,CAAC,MAAM,wBAAwB,GAAG,IAAI;IAAA;QAC1C,aAAa;QACb,aAAQ,GAAW,MAAM,CAAC;QAC1B,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"}
|
|
@@ -24,14 +24,14 @@ export declare const NglPropsDefault: {
|
|
|
24
24
|
showCurrentRowLigand: boolean;
|
|
25
25
|
showMouseOverRowLigand: boolean;
|
|
26
26
|
};
|
|
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|
-
export type NglProps =
|
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|
+
export type NglProps = typeof NglPropsDefault;
|
|
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28
|
export interface INglViewer extends IViewer {
|
|
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29
|
setOptions(options: Partial<NglProps>): void;
|
|
30
30
|
get onAfterBuildView(): Observable<void>;
|
|
31
31
|
}
|
|
32
32
|
declare module 'datagrok-api/dg' {
|
|
33
33
|
interface DataFramePlotHelper {
|
|
34
|
-
fromType(viewerType: 'NGL', options: Partial<NglProps>): Promise<DG.Viewer & INglViewer>;
|
|
34
|
+
fromType(viewerType: 'NGL', options: Partial<NglProps>): Promise<DG.Viewer<NglProps> & INglViewer>;
|
|
35
35
|
}
|
|
36
36
|
}
|
|
37
37
|
export type NglGlTask = {
|
|
@@ -1 +1 @@
|
|
|
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,UAAU,EAAC,MAAM,MAAM,CAAC;
|
|
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,UAAU,EAAC,MAAM,MAAM,CAAC;AAMhC,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;SAErB,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;AAGD,MAAM,MAAM,SAAS,GAAG;IACtB,IAAI,EAAE,MAAM,CAAC;IACb,SAAS,EAAE,MAAM,CAAC;IAClB,KAAK,EAAE;QAAE,CAAC,QAAQ,EAAE,MAAM,GAAG,GAAG,CAAA;KAAE,CAAC;IACnC,aAAa,EAAE,CAAC,MAAM,EAAE,iBAAiB,KAAK,OAAO,CAAC,IAAI,CAAC,CAAA;CAC5D,CAAC;AAEF,8BAAsB,gBAAgB;IACpC,OAAc,UAAU,EAAE;QAAE,IAAI,EAAE,MAAM,CAAC;QAAC,IAAI,EAAE,GAAG,CAAA;KAAE,CAGnD;IAEF;;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"}
|
|
@@ -1,4 +1,5 @@
|
|
|
1
1
|
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { TAGS as pdbTAGS } from '../pdb/index';
|
|
2
3
|
export var RepresentationType;
|
|
3
4
|
(function (RepresentationType) {
|
|
4
5
|
RepresentationType["Cartoon"] = "cartoon";
|
|
@@ -12,7 +13,7 @@ export const NglPropsDefault = new class {
|
|
|
12
13
|
constructor() {
|
|
13
14
|
// -- Data --
|
|
14
15
|
this.pdb = null;
|
|
15
|
-
this.pdbTag =
|
|
16
|
+
this.pdbTag = pdbTAGS.PDB;
|
|
16
17
|
this.ligandColumnName = null;
|
|
17
18
|
// -- Style --
|
|
18
19
|
this.representation = RepresentationType.Cartoon;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"ngl-gl-viewer.js","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;
|
|
1
|
+
{"version":3,"file":"ngl-gl-viewer.js","sourceRoot":"","sources":["ngl-gl-viewer.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAMtC,OAAO,EAAC,IAAI,IAAI,OAAO,EAAC,MAAM,cAAc,CAAC;AAM7C,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,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;AAyBJ,MAAM,OAAgB,gBAAgB;;AACtB,2BAAU,GAAgC;IACtD,IAAI,EAAE,OAAO;IACb,IAAI,EAAE,EAAC,IAAI,EAAE,MAAM,EAAE,aAAa,EAAE,CAAC,EAAE,QAAQ,EAAE,EAAE,EAAC;CACrD,CAAC;AAkBJ,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"}
|
|
@@ -41,7 +41,7 @@ export interface IVdRegionsViewer extends VdRegionsProps, IViewer {
|
|
|
41
41
|
}
|
|
42
42
|
declare module 'datagrok-api/dg' {
|
|
43
43
|
interface DataFramePlotHelper {
|
|
44
|
-
fromType(viewerType: 'VdRegions', options: Partial<VdRegionsProps>): Promise<DG.Viewer & IVdRegionsViewer>;
|
|
44
|
+
fromType(viewerType: 'VdRegions', options: Partial<VdRegionsProps>): Promise<DG.Viewer<VdRegionsProps> & IVdRegionsViewer>;
|
|
45
45
|
}
|
|
46
46
|
}
|
|
47
47
|
//# sourceMappingURL=vd-regions.d.ts.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
{"version":3,"file":"vd-regions.d.ts","sourceRoot":"","sources":["vd-regions.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AACjC,OAAO,EAAC,aAAa,EAAE,cAAc,EAAsB,MAAM,YAAY,CAAC;AAI9E,oBAAY,YAAY;IACtB,OAAO,YAAY;IACnB,EAAE,cAAc;IAChB,GAAG,QAAQ;CACZ;AAED;;;;GAIG;AACH,MAAM,WAAW,QAAQ;IACvB,QAAQ,CAAC,IAAI,EAAE,YAAY,CAAC;IAC5B,QAAQ,CAAC,IAAI,EAAE,MAAM,CAAC;IACtB,QAAQ,CAAC,KAAK,EAAE,MAAM,CAAC;IAEvB,QAAQ,CAAC,KAAK,EAAE,MAAM,CAAC;IAEvB,6CAA6C;IAC7C,QAAQ,CAAC,kBAAkB,EAAE,MAAM,CAAC;IAEpC,wCAAwC;IACxC,QAAQ,CAAC,iBAAiB,EAAE,MAAM,CAAC;IAEnC,sCAAsC;IACtC,QAAQ,CAAC,eAAe,EAAE,MAAM,CAAC;CAClC;AAED,eAAO,MAAM,qBAAqB;iBACnB,YAAY,EAAE;YACnB,MAAM,EAAE;wBAGI,OAAO;cACjB,OAAO;mBACF,MAAM;oBACL,cAAc;kBAEhB,aAAa;CAC1B,CAAC;AAEJ,MAAM,MAAM,cAAc,GAAG,QAAQ,CAAC,OAAO,qBAAqB,CAAC,CAAC;AAEpE,2FAA2F;AAC3F,MAAM,WAAW,gBAAiB,SAAQ,cAAc,EAAE,OAAO;IAC/D,IAAI,IAAI,OAAO,CAAC,IAAI,CAAC,CAAC;IAEtB,qGAAqG;IACrG,OAAO,CAAC,OAAO,EAAE,QAAQ,EAAE,GAAG,IAAI,CAAC;CACpC;AAED,OAAO,QAAQ,iBAAiB,CAAC;IAC/B,UAAiB,mBAAmB;QAClC,QAAQ,CAAC,UAAU,EAAE,WAAW,EAAE,OAAO,EAAE,OAAO,CAAC,cAAc,CAAC,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,cAAc,CAAC,GAAG,gBAAgB,CAAC,CAAC;KAC5H;CACF"}
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@@ -60,7 +60,7 @@ export declare const WebLogoPropsDefault: {
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positionMargin: number;
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61
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|
filterSource: FilterSources;
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62
62
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};
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63
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-
export type WebLogoProps =
|
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63
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+
export type WebLogoProps = typeof WebLogoPropsDefault;
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64
64
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export interface IWebLogoViewer extends WebLogoProps, IViewer {
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65
65
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get onSizeChanged(): Observable<void>;
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66
66
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get positionMarginValue(): number;
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@@ -69,7 +69,7 @@ export interface IWebLogoViewer extends WebLogoProps, IViewer {
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69
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export declare const positionRe: RegExp;
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70
70
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declare module 'datagrok-api/dg' {
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71
71
|
interface DataFramePlotHelper {
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72
|
-
fromType(viewerType: 'WebLogo', options: Partial<WebLogoProps>): Promise<DG.Viewer & IWebLogoViewer>;
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72
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+
fromType(viewerType: 'WebLogo', options: Partial<WebLogoProps>): Promise<DG.Viewer<WebLogoProps> & IWebLogoViewer>;
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73
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}
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74
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}
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75
75
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//# sourceMappingURL=web-logo.d.ts.map
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@@ -1 +1 @@
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1
|
-
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|
|
1
|
+
{"version":3,"file":"web-logo.d.ts","sourceRoot":"","sources":["web-logo.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAC,UAAU,EAAC,MAAM,MAAM,CAAC;AAEhC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AAEjC,oBAAY,IAAI;IACd,6EAA6E;IAC7E,cAAc,oBAAoB;CACnC;AAED,oBAAY,cAAc;IACxB,OAAO,YAAY;IACnB,IAAI,SAAS;CACd;AAED,0BAA0B;AAC1B,oBAAY,kBAAkB;IAC5B,GAAG,QAAQ;IACX,MAAM,WAAW;IACjB,MAAM,WAAW;CAClB;AAED,0BAA0B;AAC1B,oBAAY,oBAAoB;IAC9B,IAAI,SAAS;IACb,MAAM,WAAW;IACjB,KAAK,UAAU;CAChB;AAED,oBAAY,oBAAoB;IAC9B,IAAI,SAAS;IACb,EAAE,OAAO;IACT,GAAG,QAAQ;CACZ;AAED,qEAAqE;AACrE,oBAAY,aAAa;IACvB,0DAA0D;IAC1D,QAAQ,aAAa;IACrB;;OAEG;IACH,QAAQ,aAAa;CACtB;AAED,eAAO,MAAM,mBAAmB;wBAEV,MAAM,GAAG,IAAI;IACjC,iEAAiE;mBAClD,GAAG,eAAe;IACjC,6BAA6B;qBACZ,MAAM;uBACJ,MAAM,GAAG,IAAI;qBACf,MAAM,GAAG,IAAI;wBACV,OAAO;wBACP,OAAO;qBACV,OAAO;qBAGP,MAAM;oBACP,MAAM;mBACP,MAAM;uBAGF,kBAAkB;yBAChB,oBAAoB;cAC/B,OAAO;aACR,OAAO;eACL,MAAM;eACN,MAAM;wBACG,OAAO;yBACN,oBAAoB;oBACzB,MAAM;kBAGR,aAAa;CAC1B,CAAC;AAEJ,MAAM,MAAM,YAAY,GAAG,OAAO,mBAAmB,CAAC;AAEtD,MAAM,WAAW,cAAe,SAAQ,YAAY,EAAE,OAAO;IAC3D,IAAI,aAAa,IAAI,UAAU,CAAC,IAAI,CAAC,CAAC;IAEtC,IAAI,mBAAmB,IAAI,MAAM,CAAC;IAElC,UAAU,CAAC,OAAO,EAAE,OAAO,CAAC,YAAY,CAAC,GAAG,IAAI,CAAC;CAClD;AAED,eAAO,MAAM,UAAU,EAAE,MAAwB,CAAC;AAElD,OAAO,QAAQ,iBAAiB,CAAC;IAC/B,UAAiB,mBAAmB;QAClC,QAAQ,CAAC,UAAU,EAAE,SAAS,EAAE,OAAO,EAAE,OAAO,CAAC,YAAY,CAAC,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,YAAY,CAAC,GAAG,cAAc,CAAC,CAAC;KACpH;CACF"}
|