@datagrok-libraries/bio 5.45.8 → 5.45.10
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/CHANGELOG.md
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@@ -1,5 +1,13 @@
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# bio changelog
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## 5.45.10 (2024-11-07)
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Remove the startDockerContainer method from the IAutoDockService interface
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## 5.45.9 (2024-11-01)
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Unknown pallete correct initialization
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## 5.45.8 (2024-11-01)
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Correct loading of unknown pallete
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package/package.json
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"access": "public"
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},
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"friendlyName": "Datagrok bio library",
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"version": "5.45.
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"version": "5.45.10",
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"description": "Bio utilities, types supporting Macromolecule, Molecule3D data",
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"dependencies": {
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"@datagrok-libraries/chem-meta": "^1.2.7",
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@@ -28,7 +28,6 @@ export type AutoDockRunResult = {
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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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checkOpenCl(): Promise<number>;
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/**
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* @param receptor PDB string of target (receptor) structure
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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,
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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,WAAW,IAAI,OAAO,CAAC,MAAM,CAAC,CAAC;IAE/B;;;;OAIG;IACH,UAAU,CAAC,QAAQ,EAAE,gBAAgB,EAAE,MAAM,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,EAAE,SAAS,CAAC,EAAE,MAAM,EACtG,UAAU,CAAC,EAAE,MAAM,GAClB,OAAO,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;IAEzB,gBAAgB,CAAC,QAAQ,EAAE,gBAAgB,EAAE,SAAS,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,WAAW,EAAE,MAAM,EAAE,SAAS,CAAC,EAAE,MAAM,EAChH,UAAU,CAAC,EAAE,MAAM,GAClB,OAAO,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;CAC1B;AAED,wBAAsB,kBAAkB,IAAI,OAAO,CAAC,gBAAgB,CAAC,CAQpE"}
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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;
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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;AA2BD,MAAM,CAAC,KAAK,UAAU,kBAAkB;IACtC,MAAM,WAAW,GAAW,SAAS,CAAC;IACtC,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/unknown.d.ts.map
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{"version":3,"file":"unknown.d.ts","sourceRoot":"","sources":["unknown.ts"],"names":[],"mappings":"AAGA,OAAO,EAAC,UAAU,EAAE,cAAc,EAAC,MAAM,gBAAgB,CAAC;AAgC1D,qBAAa,WAAW;WACR,QAAQ,CAAC,CAAC,EAAE,MAAM,GAAG,MAAM;CAW1C;AAED,8BAAsB,iBAAkB,YAAW,UAAU;aAC3C,GAAG,CAAC,CAAC,EAAE,MAAM,EAAE,WAAW,CAAC,EAAE,MAAM,GAAG,MAAM;CAC7D;AAED,qBAAa,cAAe,SAAQ,iBAAiB;IAC5C,GAAG,CAAC,EAAE,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,MAAM;CAGtD;AAGD,qBAAa,mBAAoB,SAAQ,iBAAiB;IACxD,OAAO,CAAC,MAAM,CAAC,QAAQ,CAAyB;IAChD,WAAkB,OAAO,IAAI,MAAM,EAAE,
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{"version":3,"file":"unknown.d.ts","sourceRoot":"","sources":["unknown.ts"],"names":[],"mappings":"AAGA,OAAO,EAAC,UAAU,EAAE,cAAc,EAAC,MAAM,gBAAgB,CAAC;AAgC1D,qBAAa,WAAW;WACR,QAAQ,CAAC,CAAC,EAAE,MAAM,GAAG,MAAM;CAW1C;AAED,8BAAsB,iBAAkB,YAAW,UAAU;aAC3C,GAAG,CAAC,CAAC,EAAE,MAAM,EAAE,WAAW,CAAC,EAAE,MAAM,GAAG,MAAM;CAC7D;AAED,qBAAa,cAAe,SAAQ,iBAAiB;IAC5C,GAAG,CAAC,EAAE,EAAE,MAAM,EAAE,YAAY,CAAC,EAAE,MAAM,GAAG,MAAM;CAGtD;AAGD,qBAAa,mBAAoB,SAAQ,iBAAiB;IACxD,OAAO,CAAC,MAAM,CAAC,QAAQ,CAAyB;IAChD,WAAkB,OAAO,IAAI,MAAM,EAAE,CAIpC;IAGD,OAAO,CAAC,MAAM,CAAC,mBAAmB,CAA+D;IACjG,OAAO,CAAC,MAAM,CAAC,YAAY,CAAgB;IAE3C,OAAO,CAAC,MAAM,CAAC,YAAY;IA2BpB,GAAG,CAAC,CAAC,EAAE,MAAM,EAAE,WAAW,CAAC,EAAE,MAAM,GAAG,MAAM;CAUpD;AAED,qBAAa,kBAAmB,SAAQ,cAAc;IACpD,OAAO,CAAC,MAAM,CAAC,IAAI,CAAa;IAEhC,WAAkB,IAAI,IAAI,UAAU,CAInC;IAED,OAAO,CAAC,MAAM,CAAC,KAAK,CAAa;IAEjC,WAAkB,KAAK,IAAI,UAAU,CAIpC;CACF"}
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package/src/unknown.js
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}
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export class UnknownColorPalette extends UnknownSeqPalette {
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static get palette() {
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console.log('UnknownColorPalette.palette');
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if (!UnknownColorPalette._pallete)
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UnknownColorPalette._pallete = UnknownColorPalette.buildPalette();
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return UnknownColorPalette._pallete;
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package/src/unknown.js.map
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{"version":3,"file":"unknown.js","sourceRoot":"","sources":["unknown.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AACtC,OAAO,EAAa,cAAc,EAAC,MAAM,gBAAgB,CAAC;AAC1D,OAAO,EAAC,mBAAmB,EAAC,MAAM,+BAA+B,CAAC;AAIlE;;;;KAIK;AACL,SAAS,YAAY,CAAC,KAAoB,EAAE,KAAK,GAAG,IAAI;IACtD,IAAI,KAAK,IAAI,IAAI;QACf,OAAO,kBAAkB,CAAC;IAE5B,MAAM,OAAO,GAAW,EAAE,CAAC,KAAK,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;IACjD,IAAI,KAAK,EAAE,CAAC;QACV,MAAM,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;QAC9B,MAAM,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;QAC9B,MAAM,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;QAC9B,wCAAwC;QACxC,MAAM,WAAW,GAAG,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;QAC5F,yBAAyB;QACzB,MAAM,KAAK,GAAG,CAAC,GAAG,WAAW,CAAC;QAC9B,MAAM,KAAK,GAAG,CAAC,GAAG,WAAW,CAAC;QAC9B,MAAM,KAAK,GAAG,CAAC,GAAG,WAAW,CAAC;QAC9B,IAAI,WAAW,GAAG,GAAG;YACnB,OAAO,OAAO,KAAK,GAAG,GAAG,IAAI,KAAK,GAAG,GAAG,IAAI,KAAK,GAAG,GAAG,GAAG,CAAC;IAC/D,CAAC;IAED,OAAO,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC;AACjC,CAAC;AAED,MAAM,OAAO,WAAW;IACf,MAAM,CAAC,QAAQ,CAAC,CAAS;QAC9B,IAAI,IAAI,GAAW,CAAC,CAAC;QACrB,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC;YAChB,OAAO,IAAI,CAAC;QACd,KAAK,IAAI,CAAC,GAAW,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC;YAC1C,MAAM,GAAG,GAAW,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;YACpC,IAAI,GAAG,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,GAAG,CAAC;YAClC,IAAI,IAAI,CAAC,CAAC,CAAC,2BAA2B;QACxC,CAAC;QACD,OAAO,IAAI,CAAC;IACd,CAAC;CACF;AAED,MAAM,OAAgB,iBAAiB;CAEtC;AAED,MAAM,OAAO,cAAe,SAAQ,iBAAiB;IAC5C,GAAG,CAAC,EAAU,EAAE,YAAqB;QAC1C,OAAO,SAAS,CAAC;IACnB,CAAC;CACF;AAGD,MAAM,OAAO,mBAAoB,SAAQ,iBAAiB;IAEjD,MAAM,KAAK,OAAO;QACvB,
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