@chemistry/crystalview 3.1.14 → 3.1.16
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/camera/{Camera.d.ts → camera.d.ts} +2 -2
- package/dist/camera/camera.d.ts.map +1 -0
- package/dist/camera/{ICamera.d.ts → camera.interface.d.ts} +2 -2
- package/dist/camera/camera.interface.d.ts.map +1 -0
- package/dist/camera/camera.interface.js +2 -0
- package/dist/camera/camera.interface.js.map +1 -0
- package/dist/camera/{Camera.js → camera.js} +1 -1
- package/dist/camera/{Camera.js.map → camera.js.map} +1 -1
- package/dist/crystal-view.d.ts.map +1 -1
- package/dist/crystal-view.js +8 -14
- package/dist/crystal-view.js.map +1 -1
- package/dist/molecule3d/{Atom.d.ts → atom.d.ts} +3 -3
- package/dist/molecule3d/atom.d.ts.map +1 -0
- package/dist/molecule3d/{Atom.js → atom.js} +1 -1
- package/dist/molecule3d/{Atom.js.map → atom.js.map} +1 -1
- package/dist/molecule3d/{Bond.d.ts → bond.d.ts} +2 -2
- package/dist/molecule3d/bond.d.ts.map +1 -0
- package/dist/molecule3d/{Bond.js → bond.js} +1 -1
- package/dist/molecule3d/{Bond.js.map → bond.js.map} +1 -1
- package/dist/molecule3d/{CellAtom.d.ts → cell-atom.d.ts} +6 -6
- package/dist/molecule3d/cell-atom.d.ts.map +1 -0
- package/dist/molecule3d/{CellAtom.js → cell-atom.js} +3 -3
- package/dist/molecule3d/cell-atom.js.map +1 -0
- package/dist/molecule3d/io/{MoleculeReaderJCIF.d.ts → molecule-reader-jcif.d.ts} +3 -3
- package/dist/molecule3d/io/molecule-reader-jcif.d.ts.map +1 -0
- package/dist/molecule3d/io/{MoleculeReaderJCIF.js → molecule-reader-jcif.js} +3 -5
- package/dist/molecule3d/io/molecule-reader-jcif.js.map +1 -0
- package/dist/molecule3d/io/{IMoleculeReader.d.ts → molecule-reader.interface.d.ts} +2 -2
- package/dist/molecule3d/io/molecule-reader.interface.d.ts.map +1 -0
- package/dist/molecule3d/io/molecule-reader.interface.js +2 -0
- package/dist/molecule3d/io/molecule-reader.interface.js.map +1 -0
- package/dist/molecule3d/{Link.d.ts → link.d.ts} +4 -4
- package/dist/molecule3d/link.d.ts.map +1 -0
- package/dist/molecule3d/{Link.js → link.js} +1 -1
- package/dist/molecule3d/{Link.js.map → link.js.map} +1 -1
- package/dist/molecule3d/{MarkerContact.d.ts → marker-contact.d.ts} +2 -2
- package/dist/molecule3d/marker-contact.d.ts.map +1 -0
- package/dist/molecule3d/{MarkerContact.js → marker-contact.js} +1 -1
- package/dist/molecule3d/marker-contact.js.map +1 -0
- package/dist/molecule3d/{Marker.d.ts → marker.d.ts} +3 -3
- package/dist/molecule3d/marker.d.ts.map +1 -0
- package/dist/molecule3d/{Marker.js → marker.js} +1 -1
- package/dist/molecule3d/{Marker.js.map → marker.js.map} +1 -1
- package/dist/molecule3d/{MoleculeBuilder.d.ts → molecule-builder.d.ts} +5 -5
- package/dist/molecule3d/molecule-builder.d.ts.map +1 -0
- package/dist/molecule3d/{MoleculeBuilder.js → molecule-builder.js} +5 -5
- package/dist/molecule3d/molecule-builder.js.map +1 -0
- package/dist/molecule3d/{MoleculeConnector.d.ts → molecule-connector.d.ts} +2 -2
- package/dist/molecule3d/molecule-connector.d.ts.map +1 -0
- package/dist/molecule3d/{MoleculeConnector.js → molecule-connector.js} +1 -1
- package/dist/molecule3d/molecule-connector.js.map +1 -0
- package/dist/molecule3d/{Molecule3D.d.ts → molecule3d.d.ts} +7 -7
- package/dist/molecule3d/molecule3d.d.ts.map +1 -0
- package/dist/molecule3d/{Molecule3D.js → molecule3d.js} +5 -5
- package/dist/molecule3d/molecule3d.js.map +1 -0
- package/dist/molecule3d/{UnitCell.d.ts → unit-cell.d.ts} +1 -1
- package/dist/molecule3d/unit-cell.d.ts.map +1 -0
- package/dist/molecule3d/{UnitCell.js → unit-cell.js} +1 -1
- package/dist/molecule3d/unit-cell.js.map +1 -0
- package/dist/painter/{CanvasContext.d.ts → canvas-context.d.ts} +1 -1
- package/dist/painter/canvas-context.d.ts.map +1 -0
- package/dist/painter/{CanvasContext.js → canvas-context.js} +1 -1
- package/dist/painter/canvas-context.js.map +1 -0
- package/dist/painter/{Painter.d.ts → painter.d.ts} +4 -4
- package/dist/painter/painter.d.ts.map +1 -0
- package/dist/painter/{Painter.js → painter.js} +3 -5
- package/dist/painter/painter.js.map +1 -0
- package/dist/ui/{ContextMenuItem.d.ts → context-menu-item.d.ts} +1 -1
- package/dist/ui/context-menu-item.d.ts.map +1 -0
- package/dist/ui/{ContextMenuItem.js → context-menu-item.js} +1 -1
- package/dist/ui/context-menu-item.js.map +1 -0
- package/dist/ui/{ContextMenu.d.ts → context-menu.d.ts} +2 -2
- package/dist/ui/context-menu.d.ts.map +1 -0
- package/dist/ui/{ContextMenu.js → context-menu.js} +1 -1
- package/dist/ui/context-menu.js.map +1 -0
- package/package.json +3 -2
- package/dist/camera/Camera.d.ts.map +0 -1
- package/dist/camera/ICamera.d.ts.map +0 -1
- package/dist/camera/ICamera.js +0 -2
- package/dist/camera/ICamera.js.map +0 -1
- package/dist/molecule3d/Atom.d.ts.map +0 -1
- package/dist/molecule3d/Bond.d.ts.map +0 -1
- package/dist/molecule3d/CellAtom.d.ts.map +0 -1
- package/dist/molecule3d/CellAtom.js.map +0 -1
- package/dist/molecule3d/Link.d.ts.map +0 -1
- package/dist/molecule3d/Marker.d.ts.map +0 -1
- package/dist/molecule3d/MarkerContact.d.ts.map +0 -1
- package/dist/molecule3d/MarkerContact.js.map +0 -1
- package/dist/molecule3d/Molecule3D.d.ts.map +0 -1
- package/dist/molecule3d/Molecule3D.js.map +0 -1
- package/dist/molecule3d/MoleculeBuilder.d.ts.map +0 -1
- package/dist/molecule3d/MoleculeBuilder.js.map +0 -1
- package/dist/molecule3d/MoleculeConnector.d.ts.map +0 -1
- package/dist/molecule3d/MoleculeConnector.js.map +0 -1
- package/dist/molecule3d/UnitCell.d.ts.map +0 -1
- package/dist/molecule3d/UnitCell.js.map +0 -1
- package/dist/molecule3d/io/IMoleculeReader.d.ts.map +0 -1
- package/dist/molecule3d/io/IMoleculeReader.js +0 -2
- package/dist/molecule3d/io/IMoleculeReader.js.map +0 -1
- package/dist/molecule3d/io/MoleculeReaderJCIF.d.ts.map +0 -1
- package/dist/molecule3d/io/MoleculeReaderJCIF.js.map +0 -1
- package/dist/painter/CanvasContext.d.ts.map +0 -1
- package/dist/painter/CanvasContext.js.map +0 -1
- package/dist/painter/Painter.d.ts.map +0 -1
- package/dist/painter/Painter.js.map +0 -1
- package/dist/ui/ContextMenu.d.ts.map +0 -1
- package/dist/ui/ContextMenu.js.map +0 -1
- package/dist/ui/ContextMenuItem.d.ts.map +0 -1
- package/dist/ui/ContextMenuItem.js.map +0 -1
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import { Vec3 } from '@chemistry/math';
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import { ICamera } from './
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import { type ICamera } from './camera.interface.js';
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export declare class Camera implements ICamera {
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private element;
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/**
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*/
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private initMatrixes;
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}
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//# sourceMappingURL=
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//# sourceMappingURL=camera.d.ts.map
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import { type Vec3 } from '@chemistry/math';
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export interface ICamera {
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onDestroy(): void;
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unproject(position: Vec3): Vec3;
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extractScale(): number;
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}
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//# sourceMappingURL=
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//# sourceMappingURL=camera.interface.d.ts.map
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{"version":3,"file":"camera.interface.js","sourceRoot":"","sources":["../../src/camera/camera.interface.ts"],"names":[],"mappings":""}
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{"version":3,"file":"
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+
{"version":3,"file":"camera.js","sourceRoot":"","sources":["../../src/camera/camera.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,WAAW,EAAE,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAGpD,MAAM,OAAO,GAAG,KAAK,CAAC;AAEtB,MAAM,OAAO,MAAM;IACT,OAAO,CAAc;IAC7B;;OAEG;IACK,SAAS,CAAc;IAE/B;;OAEG;IACK,WAAW,CAAc;IAEjC,oBAAoB;IACZ,gBAAgB,CAAe;IACvC,mBAAmB;IACX,kBAAkB,CAAe;IAEzC,wBAAwB;IAChB,YAAY,CAAU;IAC9B,wBAAwB;IAChB,UAAU,CAAY;IAC9B,wCAAwC;IAChC,SAAS,CAAY;IAC7B,yBAAyB;IACjB,YAAY,CAAY;IAChC,uBAAuB;IACf,UAAU,CAAU;IAEpB,KAAK,CAAS;IACd,MAAM,CAAS;IAEf,gBAAgB,CAAa;IAC7B,eAAe,CAAiC;IAEhD,cAAc,CAA8B;IAC5C,YAAY,CAA8B;IAC1C,eAAe,CAA8B;IAC7C,cAAc,CAA8B;IAC5C,UAAU,CAA8B;IAEhD,YAAY,OAIX;QACC,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC,OAAO,CAAC;QAC/B,MAAM,KAAK,GAAG,EAAE,CAAC;QACjB,MAAM,MAAM,GAAG,IAAI,IAAI,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QACjC,IAAI,CAAC,YAAY,GAAG,KAAK,CAAC;QAC1B,IAAI,CAAC,UAAU,GAAG,KAAK,CAAC;QAExB,IAAI,CAAC,SAAS,GAAG,WAAW,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC;QAC9C,IAAI,CAAC,WAAW,GAAG,WAAW,CAAC,eAAe,CAAC,MAAM,CAAC,CAAC;QAEvD,gBAAgB;QAChB,IAAI,CAAC,KAAK,GAAG,IAAI,CAAC,OAAO,CAAC,WAAW,CAAC;QACtC,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC,OAAO,CAAC,YAAY,CAAC;QAExC,IAAI,CAAC,gBAAgB,GAAG,OAAO,CAAC,QAAQ,CAAC;QACzC,IAAI,CAAC,eAAe,GAAG,OAAO,CAAC,OAAO,CAAC;QAEvC,2CAA2C;QAC3C,IAAI,CAAC,cAAc,GAAG,CAAC,KAAiB,EAAE,EAAE;YAC1C,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC;QACzB,CAAC,CAAC;QACF,IAAI,CAAC,YAAY,GAAG,CAAC,KAAiB,EAAE,EAAE;YACxC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;QACvB,CAAC,CAAC;QACF,IAAI,CAAC,eAAe,GAAG,CAAC,KAAiB,EAAE,EAAE;YAC3C,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC;QAC1B,CAAC,CAAC;QACF,IAAI,CAAC,cAAc,GAAG,CAAC,KAAiB,EAAE,EAAE;YAC1C,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC;QACzB,CAAC,CAAC;QACF,IAAI,CAAC,UAAU,GAAG,CAAC,KAAiB,EAAE,EAAE;YACtC,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC;QAC1B,CAAC,CAAC;QAEF,kBAAkB;QAClB,IAAI,CAAC,cAAc,EAAE,CAAC;QAEtB,IAAI,CAAC,YAAY,EAAE,CAAC;IACtB,CAAC;IAEM,MAAM;QACX,kBAAkB;QAClB,IAAI,CAAC,cAAc,EAAE,CAAC;QACtB,IAAI,CAAC,YAAY,EAAE,CAAC;IACtB,CAAC;IAEM,SAAS;QACd,IAAI,CAAC,cAAc,EAAE,CAAC;IACxB,CAAC;IAED;;OAEG;IACI,OAAO,CAAC,QAAc;QAC3B,OAAO,IAAI,CAAC,gBAAgB,CAAC,OAAO,CAAC,QAAQ,CAAC,CAAC;IACjD,CAAC;IAED;;OAEG;IACI,SAAS,CAAC,QAAc;QAC7B,OAAO,IAAI,CAAC,kBAAkB,CAAC,OAAO,CAAC,QAAQ,CAAC,CAAC;IACnD,CAAC;IAEM,YAAY;QACjB,OAAO,IAAI,CAAC,SAAS,CAAC,YAAY,EAAE,CAAC;IACvC,CAAC;IAED;;OAEG;IACI,aAAa,CAAC,KAAa,EAAE,MAAY;QAC9C,IAAI,CAAC,SAAS,GAAG,WAAW,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC;QAC9C,IAAI,CAAC,WAAW,GAAG,WAAW,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QAEjE,0BAA0B;QAC1B,IAAI,CAAC,YAAY,EAAE,CAAC;IACtB,CAAC;IAEO,cAAc;QACpB,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC,WAAW,EAAE,IAAI,CAAC,cAAc,CAAC,CAAC;QAChE,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC,SAAS,EAAE,IAAI,CAAC,YAAY,CAAC,CAAC;QAC5D,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC,YAAY,EAAE,IAAI,CAAC,eAAe,CAAC,CAAC;QAClE,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC,WAAW,EAAE,IAAI,CAAC,cAAc,CAAC,CAAC;QAChE,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC,OAAO,EAAE,IAAI,CAAC,UAAU,CAAC,CAAC;IAC1D,CAAC;IAEO,UAAU,CAAC,KAAiB;QAClC,IAAI,CAAC,YAAY,GAAG,IAAI,CAAC;QACzB,IAAI,CAAC,UAAU,GAAG,IAAI,CAAC;QACvB,IAAI,CAAC,UAAU,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QACjD,IAAI,CAAC,YAAY,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QACnD,IAAI,CAAC,SAAS,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;IAClD,CAAC;IAEO,QAAQ,CAAC,KAAiB;QAChC,IAAI,CAAC,IAAI,CAAC,YAAY,EAAE,CAAC;YACvB,OAAO;QACT,CAAC;QACD,IAAI,CAAC,YAAY,GAAG,KAAK,CAAC;QAC1B,IAAI,CAAC,YAAY,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QACnD,IAAI,IAAI,CAAC,UAAU,EAAE,CAAC;YACpB,IAAI,CAAC,iBAAiB,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,KAAK,CAAC,CAAC;QACpE,CAAC;aAAM,CAAC;YACN,IAAI,CAAC,gBAAgB,CAAC,KAAK,CAAC,QAAQ,EAAE,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,KAAK,CAAC,CAAC;QACpE,CAAC;QACD,IAAI,CAAC,SAAS,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QAChD,IAAI,CAAC,UAAU,GAAG,KAAK,CAAC;IAC1B,CAAC;IAEO,WAAW,CAAC,KAAiB;QACnC,IAAI,CAAC,IAAI,CAAC,YAAY,EAAE,CAAC;YACvB,OAAO;QACT,CAAC;QACD,IAAI,CAAC,YAAY,GAAG,KAAK,CAAC;QAC1B,IAAI,CAAC,YAAY,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QACnD,IAAI,CAAC,gBAAgB,CAAC,KAAK,CAAC,QAAQ,EAAE,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,KAAK,CAAC,CAAC;QAClE,IAAI,CAAC,SAAS,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;IAClD,CAAC;IAEO,UAAU,CAAC,KAAiB;QAClC,IAAI,CAAC,IAAI,CAAC,YAAY,EAAE,CAAC;YACvB,OAAO;QACT,CAAC;QACD,IAAI,CAAC,YAAY,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QACnD,IAAI,CAAC,gBAAgB,CAAC,KAAK,CAAC,QAAQ,EAAE,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,KAAK,CAAC,CAAC;QAClE,IAAI,CAAC,SAAS,GAAG,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC;QAChD,KAAK,CAAC,cAAc,EAAE,CAAC;IACzB,CAAC;IAEO,WAAW,CAAC,KAAiB;QACnC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC;QAEtB,IAAI,CAAC,YAAY,EAAE,CAAC;QACpB,IAAI,CAAC,QAAQ,EAAE,CAAC;QAChB,KAAK,CAAC,cAAc,EAAE,CAAC;IACzB,CAAC;IAEO,iBAAiB,CAAC,OAAe,EAAE,OAAe,EAAE,KAAa;QACvE,IAAI,KAAK,KAAK,CAAC,IAAI,IAAI,CAAC,eAAe,EAAE,CAAC;YACxC,IAAI,CAAC,eAAe,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC;QACzC,CAAC;IACH,CAAC;IAEO,gBAAgB,CAAC,QAAiB,EAAE,OAAgB,EAAE,KAAa;QACzE,IACE,IAAI,CAAC,YAAY,CAAC,CAAC,CAAC,KAAK,IAAI,CAAC,YAAY,CAAC,CAAC,CAAC;YAC7C,IAAI,CAAC,SAAS,CAA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|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"crystal-view.d.ts","sourceRoot":"","sources":["../src/crystal-view.ts"],"names":[],"mappings":"AAMA,qBAAa,SAAS;IACpB,OAAO,CAAC,WAAW,CAAkB;IACrC,OAAO,CAAC,aAAa,CAAqB;IAC1C,OAAO,CAAC,OAAO,CAA4B;IAC3C,OAAO,CAAC,QAAQ,CAAU;IAE1B,OAAO,CAAC,KAAK,CAAU;IACvB,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,aAAa,CAAiB;IACtC,OAAO,CAAC,QAAQ,CAAa;IAE7B,OAAO,CAAC,OAAO,CAAW;IAC1B,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,WAAW,CAAe;IAElC,OAAO,CAAC,OAAO,CAKb;gBAEU,OAAO,EAAE;QAAE,OAAO,CAAC,EAAE,MAAM,CAAA;KAAE;IAYlC,MAAM,CAAC,OAAO,EAAE,WAAW;
|
|
1
|
+
{"version":3,"file":"crystal-view.d.ts","sourceRoot":"","sources":["../src/crystal-view.ts"],"names":[],"mappings":"AAMA,qBAAa,SAAS;IACpB,OAAO,CAAC,WAAW,CAAkB;IACrC,OAAO,CAAC,aAAa,CAAqB;IAC1C,OAAO,CAAC,OAAO,CAA4B;IAC3C,OAAO,CAAC,QAAQ,CAAU;IAE1B,OAAO,CAAC,KAAK,CAAU;IACvB,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,aAAa,CAAiB;IACtC,OAAO,CAAC,QAAQ,CAAa;IAE7B,OAAO,CAAC,OAAO,CAAW;IAC1B,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,WAAW,CAAe;IAElC,OAAO,CAAC,OAAO,CAKb;gBAEU,OAAO,EAAE;QAAE,OAAO,CAAC,EAAE,MAAM,CAAA;KAAE;IAYlC,MAAM,CAAC,OAAO,EAAE,WAAW;IAyF3B,IAAI,CAAC,IAAI,EAAE,MAAM;IAMjB,MAAM;IAcN,MAAM;IA4BN,SAAS;IAOhB,OAAO,CAAC,MAAM;IAQd,OAAO,CAAC,YAAY;CAarB"}
|
package/dist/crystal-view.js
CHANGED
|
@@ -1,8 +1,8 @@
|
|
|
1
|
-
import { Camera } from './camera/
|
|
2
|
-
import { Molecule3D } from './molecule3d/
|
|
3
|
-
import { Painter } from './painter/
|
|
4
|
-
import { ContextMenu } from './ui/
|
|
5
|
-
import { ContextMenuItem } from './ui/
|
|
1
|
+
import { Camera } from './camera/camera.js';
|
|
2
|
+
import { Molecule3D } from './molecule3d/molecule3d.js';
|
|
3
|
+
import { Painter } from './painter/painter.js';
|
|
4
|
+
import { ContextMenu } from './ui/context-menu.js';
|
|
5
|
+
import { ContextMenuItem } from './ui/context-menu-item.js';
|
|
6
6
|
export class Mol3DView {
|
|
7
7
|
viewElement;
|
|
8
8
|
canvasElement;
|
|
@@ -84,9 +84,7 @@ export class Mol3DView {
|
|
|
84
84
|
this.options.showMarkers = !this.options.showMarkers;
|
|
85
85
|
this.redraw();
|
|
86
86
|
},
|
|
87
|
-
isChecked: () =>
|
|
88
|
-
return this.options.showMarkers;
|
|
89
|
-
},
|
|
87
|
+
isChecked: () => this.options.showMarkers,
|
|
90
88
|
title: 'Show Markers',
|
|
91
89
|
type: 'checkbox',
|
|
92
90
|
}),
|
|
@@ -95,9 +93,7 @@ export class Mol3DView {
|
|
|
95
93
|
this.options.showUnitCell = !this.options.showUnitCell;
|
|
96
94
|
this.redraw();
|
|
97
95
|
},
|
|
98
|
-
isChecked: () =>
|
|
99
|
-
return this.options.showUnitCell;
|
|
100
|
-
},
|
|
96
|
+
isChecked: () => this.options.showUnitCell,
|
|
101
97
|
title: 'Show Unit Cell',
|
|
102
98
|
type: 'checkbox',
|
|
103
99
|
}),
|
|
@@ -106,9 +102,7 @@ export class Mol3DView {
|
|
|
106
102
|
this.options.showLabels = !this.options.showLabels;
|
|
107
103
|
this.redraw();
|
|
108
104
|
},
|
|
109
|
-
isChecked: () =>
|
|
110
|
-
return this.options.showLabels;
|
|
111
|
-
},
|
|
105
|
+
isChecked: () => this.options.showLabels,
|
|
112
106
|
title: 'Show Labels',
|
|
113
107
|
type: 'checkbox',
|
|
114
108
|
}),
|
package/dist/crystal-view.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"crystal-view.js","sourceRoot":"","sources":["../src/crystal-view.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,MAAM,EAAE,MAAM,oBAAoB,CAAC;AAC5C,OAAO,EAAE,UAAU,EAAE,MAAM,4BAA4B,CAAC;AACxD,OAAO,EAAE,OAAO,EAAE,MAAM,sBAAsB,CAAC;AAC/C,OAAO,EAAE,WAAW,EAAE,MAAM,
|
|
1
|
+
{"version":3,"file":"crystal-view.js","sourceRoot":"","sources":["../src/crystal-view.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,MAAM,EAAE,MAAM,oBAAoB,CAAC;AAC5C,OAAO,EAAE,UAAU,EAAE,MAAM,4BAA4B,CAAC;AACxD,OAAO,EAAE,OAAO,EAAE,MAAM,sBAAsB,CAAC;AAC/C,OAAO,EAAE,WAAW,EAAE,MAAM,sBAAsB,CAAC;AACnD,OAAO,EAAE,eAAe,EAAE,MAAM,2BAA2B,CAAC;AAE5D,MAAM,OAAO,SAAS;IACZ,WAAW,CAAkB;IAC7B,aAAa,CAAqB;IAClC,OAAO,CAA4B;IACnC,QAAQ,CAAU;IAElB,KAAK,CAAU;IACf,MAAM,CAAU;IAChB,aAAa,CAAiB;IAC9B,QAAQ,CAAa;IAErB,OAAO,CAAW;IAClB,MAAM,CAAU;IAChB,WAAW,CAAe;IAE1B,OAAO,CAKb;IAEF,YAAY,OAA6B;QACvC,IAAI,CAAC,OAAO,GAAG;YACb,OAAO,EAAE,OAAO,CAAC,OAAO,IAAI,SAAS;YACrC,UAAU,EAAE,KAAK;YACjB,WAAW,EAAE,IAAI;YACjB,YAAY,EAAE,KAAK;SACpB,CAAC;QACF,IAAI,CAAC,QAAQ,GAAG,KAAK,CAAC;QACtB,IAAI,CAAC,aAAa,GAAG,EAAE,CAAC;QACxB,IAAI,CAAC,QAAQ,GAAG,IAAI,UAAU,EAAE,CAAC;IACnC,CAAC;IAEM,MAAM,CAAC,OAAoB;QAChC,IAAI,IAAI,CAAC,WAAW,IAAI,IAAI,CAAC,QAAQ,EAAE,CAAC;YACtC,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;QACtD,CAAC;QAED,MAAM,MAAM,GAAG,QAAQ,CAAC,aAAa,CAAC,KAAK,CAAC,CAAC;QAC7C,MAAM,CAAC,SAAS,GAAG,WAAW,CAAC;QAC/B,MAAM,MAAM,GAAG,QAAQ,CAAC,aAAa,CAAC,QAAQ,CAAC,CAAC;QAChD,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC;QAE3B,MAAM,CAAC,KAAK,CAAC,eAAe,GAAG,IAAI,CAAC,OAAO,CAAC,OAAO,CAAC;QACpD,MAAM,CAAC,KAAK,CAAC,OAAO,GAAG,OAAO,CAAC;QAC/B,MAAM,CAAC,KAAK,CAAC,MAAM,GAAG,MAAM,CAAC;QAC7B,MAAM,CAAC,KAAK,CAAC,QAAQ,GAAG,UAAU,CAAC;QACnC,MAAM,CAAC,KAAK,CAAC,KAAK,GAAG,MAAM,CAAC;QAE5B,MAAM,CAAC,KAAK,CAAC,OAAO,GAAG,OAAO,CAAC;QAE/B,OAAO,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC;QAC5B,IAAI,CAAC,WAAW,GAAG,MAAM,CAAC;QAE1B,IAAI,CAAC,aAAa,GAAG,MAAM,CAAC;QAC5B,IAAI,CAAC,OAAO,GAAG,IAAI,CAAC,aAAa,CAAC,UAAU,CAAC,IAAI,CAAE,CAAC;QAEpD,IAAI,CAAC,OAAO,GAAG,IAAI,OAAO,CAAC,IAAI,CAAC,OAAO,EAAE,IAAI,CAAC,OAAO,CAAC,CAAC;QACvD,IAAI,CAAC,MAAM,GAAG,IAAI,MAAM,CAAC;YACvB,OAAO,EAAE,IAAI,CAAC,aAAa;YAC3B,OAAO,EAAE,CAAC,CAAS,EAAE,CAAS,EAAE,EAAE;gBAChC,IAAI,CAAC,IAAI,CAAC,OAAO,CAAC,WAAW,EAAE,CAAC;oBAC9B,OAAO;gBACT,CAAC;gBACD,MAAM,MAAM,GAAG,IAAI,CAAC,OAAO,CAAC,gBAAgB,CAAC;oBAC3C,MAAM,EAAE,IAAI,CAAC,MAAM;oBACnB,QAAQ,EAAE,IAAI,CAAC,QAAQ;oBACvB,CAAC;oBACD,CAAC;iBACF,CAAC,CAAC;gBACH,IAAI,MAAM,EAAE,CAAC;oBACX,IAAI,CAAC,QAAQ,CAAC,cAAc,CAAC,MAAM,CAAC,CAAC;oBACrC,IAAI,CAAC,MAAM,EAAE,CAAC;gBAChB,CAAC;YACH,CAAC;YACD,QAAQ,EAAE,GAAG,EAAE;gBACb,IAAI,CAAC,MAAM,EAAE,CAAC;YAChB,CAAC;SACF,CAAC,CAAC;QAEH,IAAI,CAAC,WAAW,GAAG,IAAI,WAAW,CAAC;YACjC,IAAI,eAAe,CAAC;gBAClB,OAAO,EAAE,GAAG,EAAE;oBACZ,IAAI,CAAC,MAAM,EAAE,CAAC;gBAChB,CAAC;gBACD,KAAK,EAAE,iBAAiB;gBACxB,IAAI,EAAE,MAAM;aACb,CAAC;YACF,IAAI,eAAe,CAAC;gBAClB,KAAK,EAAE,MAAM;gBACb,IAAI,EAAE,SAAS;aAChB,CAAC;YACF,IAAI,eAAe,CAAC;gBAClB,OAAO,EAAE,GAAG,EAAE;oBACZ,IAAI,CAAC,OAAO,CAAC,WAAW,GAAG,CAAC,IAAI,CAAC,OAAO,CAAC,WAAW,CAAC;oBACrD,IAAI,CAAC,MAAM,EAAE,CAAC;gBAChB,CAAC;gBACD,SAAS,EAAE,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,WAAW;gBACzC,KAAK,EAAE,cAAc;gBACrB,IAAI,EAAE,UAAU;aACjB,CAAC;YACF,IAAI,eAAe,CAAC;gBAClB,OAAO,EAAE,GAAG,EAAE;oBACZ,IAAI,CAAC,OAAO,CAAC,YAAY,GAAG,CAAC,IAAI,CAAC,OAAO,CAAC,YAAY,CAAC;oBACvD,IAAI,CAAC,MAAM,EAAE,CAAC;gBAChB,CAAC;gBACD,SAAS,EAAE,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,YAAY;gBAC1C,KAAK,EAAE,gBAAgB;gBACvB,IAAI,EAAE,UAAU;aACjB,CAAC;YACF,IAAI,eAAe,CAAC;gBAClB,OAAO,EAAE,GAAG,EAAE;oBACZ,IAAI,CAAC,OAAO,CAAC,UAAU,GAAG,CAAC,IAAI,CAAC,OAAO,CAAC,UAAU,CAAC;oBACnD,IAAI,CAAC,MAAM,EAAE,CAAC;gBAChB,CAAC;gBACD,SAAS,EAAE,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,UAAU;gBACxC,KAAK,EAAE,aAAa;gBACpB,IAAI,EAAE,UAAU;aACjB,CAAC;SACH,CAAC,CAAC;IACL,CAAC;IAEM,IAAI,CAAC,IAAY;QACtB,IAAI,CAAC,QAAQ,CAAC,KAAK,EAAE,CAAC;QACtB,IAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QACzB,IAAI,CAAC,MAAM,EAAE,CAAC;IAChB,CAAC;IAEM,MAAM;QACX,sBAAsB;QACtB,IAAI,IAAI,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM,GAAG,CAAC,EAAE,CAAC;YACrC,MAAM,MAAM,GAAG,IAAI,CAAC,QAAQ,CAAC,SAAS,EAAE,CAAC;YACzC,MAAM,KAAK,GACT,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,WAAW,CAAC,WAAW,GAAG,EAAE,EAAE,IAAI,CAAC,WAAW,CAAC,YAAY,GAAG,EAAE,CAAC;gBAC/E,IAAI,CAAC,QAAQ,CAAC,SAAS,EAAE,CAAC;YAC5B,IAAI,CAAC,MAAM,CAAC,aAAa,CAAC,KAAK,GAAG,CAAC,EAAE,MAAM,CAAC,CAAC;YAC7C,IAAI,CAAC,MAAM,EAAE,CAAC;QAChB,CAAC;QAED,IAAI,CAAC,MAAM,EAAE,CAAC;IAChB,CAAC;IAEM,MAAM;QACX,IAAI,CAAC,IAAI,CAAC,WAAW,EAAE,CAAC;YACtB,MAAM,IAAI,KAAK,CAAC,+BAA+B,CAAC,CAAC;QACnD,CAAC;QACD,IAAI,IAAI,CAAC,QAAQ,EAAE,CAAC;YAClB,MAAM,IAAI,KAAK,CAAC,4BAA4B,CAAC,CAAC;QAChD,CAAC;QACD,IAAI,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC;QAErB,MAAM,KAAK,GAAG,GAAG,EAAE;YACjB,IAAI,CAAC,YAAY,EAAE,CAAC;QACtB,CAAC,CAAC;QACF,MAAM,CAAC,gBAAgB,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;QAEzC,oBAAoB;QACpB,IAAI,CAAC,aAAa,CAAC,IAAI,CAAC,GAAG,EAAE;YAC3B,MAAM,CAAC,mBAAmB,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;QAC9C,CAAC,CAAC,CAAC;QAEH,UAAU,CAAC,GAAG,EAAE;YACd,IAAI,CAAC,YAAY,EAAE,CAAC;QACtB,CAAC,EAAE,CAAC,CAAC,CAAC;QAEN,IAAI,CAAC,WAAW,CAAC,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,CAAC;QAE1C,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC;IACvB,CAAC;IAEM,SAAS;QACd,IAAI,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC;QACxB,IAAI,CAAC,aAAa,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,EAAE;YAChC,EAAE,EAAE,CAAC;QACP,CAAC,CAAC,CAAC;IACL,CAAC;IAEO,MAAM;QACZ,IAAI,CAAC,IAAI,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,KAAK,EAAE,CAAC;YAChC,OAAO;QACT,CAAC;QAED,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,MAAM,CAAC,CAAC;IAChD,CAAC;IAEO,YAAY;QAClB,MAAM,KAAK,GAAG,IAAI,CAAC,WAAW,CAAC,WAAW,CAAC;QAC3C,MAAM,MAAM,GAAG,IAAI,CAAC,WAAW,CAAC,YAAY,CAAC;QAC7C,8BAA8B;QAC9B,IAAI,KAAK,KAAK,IAAI,CAAC,KAAK,IAAI,MAAM,KAAK,IAAI,CAAC,MAAM,EAAE,CAAC;YACnD,OAAO;QACT,CAAC;QACD,IAAI,CAAC,KAAK,GAAG,KAAK,CAAC;QACnB,IAAI,CAAC,MAAM,GAAG,MAAM,CAAC;QACrB,IAAI,CAAC,aAAa,CAAC,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC;QACtC,IAAI,CAAC,aAAa,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC;QACxC,IAAI,CAAC,MAAM,EAAE,CAAC;IAChB,CAAC;CACF"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import { Matrix3x4, Vec3 } from '@chemistry/math';
|
|
2
|
-
import { CellAtom } from './
|
|
1
|
+
import { type Matrix3x4, type Vec3 } from '@chemistry/math';
|
|
2
|
+
import { type CellAtom } from './cell-atom.js';
|
|
3
3
|
export declare class Atom {
|
|
4
4
|
fractional: Vec3;
|
|
5
5
|
position: Vec3;
|
|
@@ -11,4 +11,4 @@ export declare class Atom {
|
|
|
11
11
|
*/
|
|
12
12
|
getColor(): string;
|
|
13
13
|
}
|
|
14
|
-
//# sourceMappingURL=
|
|
14
|
+
//# sourceMappingURL=atom.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"atom.d.ts","sourceRoot":"","sources":["../../src/molecule3d/atom.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,SAAS,EAAE,KAAK,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE/C,qBAAa,IAAI;IACR,UAAU,EAAE,IAAI,CAAC;IACjB,QAAQ,EAAE,IAAI,CAAC;IACf,MAAM,EAAE,QAAQ,CAAC;IACjB,OAAO,EAAE,SAAS,CAAC;gBAEd,MAAM,EAAE,QAAQ,EAAE,OAAO,EAAE,SAAS;IAOhD;;OAEG;IACI,QAAQ;CAGhB"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"
|
|
1
|
+
{"version":3,"file":"atom.js","sourceRoot":"","sources":["../../src/molecule3d/atom.ts"],"names":[],"mappings":"AAGA,MAAM,OAAO,IAAI;IACR,UAAU,CAAO;IACjB,QAAQ,CAAO;IACf,MAAM,CAAW;IACjB,OAAO,CAAY;IAE1B,YAAY,MAAgB,EAAE,OAAkB;QAC9C,IAAI,CAAC,MAAM,GAAG,MAAM,CAAC;QACrB,IAAI,CAAC,UAAU,GAAG,OAAO,CAAC,OAAO,CAAC,MAAM,CAAC,UAAU,CAAC,CAAC;QACrD,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;QACvB,IAAI,CAAC,QAAQ,GAAG,MAAM,CAAC,QAAQ,CAAC,WAAW,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;IAC/D,CAAC;IAED;;OAEG;IACI,QAAQ;QACb,OAAO,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,KAAK,CAAC;IACnC,CAAC;CACF"}
|
|
@@ -1,8 +1,8 @@
|
|
|
1
|
-
import { Atom } from './
|
|
1
|
+
import { type Atom } from './atom.js';
|
|
2
2
|
export declare class Bond {
|
|
3
3
|
atom1: Atom;
|
|
4
4
|
atom2: Atom;
|
|
5
5
|
order: number;
|
|
6
6
|
constructor(atom1: Atom, atom2: Atom, order?: number);
|
|
7
7
|
}
|
|
8
|
-
//# sourceMappingURL=
|
|
8
|
+
//# sourceMappingURL=bond.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"bond.d.ts","sourceRoot":"","sources":["../../src/molecule3d/bond.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,IAAI,EAAE,MAAM,WAAW,CAAC;AAEtC,qBAAa,IAAI;IACR,KAAK,EAAE,IAAI,CAAC;IACZ,KAAK,EAAE,IAAI,CAAC;IACZ,KAAK,EAAE,MAAM,CAAC;gBAET,KAAK,EAAE,IAAI,EAAE,KAAK,EAAE,IAAI,EAAE,KAAK,CAAC,EAAE,MAAM;CAKrD"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"
|
|
1
|
+
{"version":3,"file":"bond.js","sourceRoot":"","sources":["../../src/molecule3d/bond.ts"],"names":[],"mappings":"AAEA,MAAM,OAAO,IAAI;IACR,KAAK,CAAO;IACZ,KAAK,CAAO;IACZ,KAAK,CAAS;IAErB,YAAY,KAAW,EAAE,KAAW,EAAE,KAAc;QAClD,IAAI,CAAC,KAAK,GAAG,KAAK,CAAC;QACnB,IAAI,CAAC,KAAK,GAAG,KAAK,CAAC;QACnB,IAAI,CAAC,KAAK,GAAG,KAAK,IAAI,CAAC,CAAC;IAC1B,CAAC;CACF"}
|
|
@@ -1,8 +1,8 @@
|
|
|
1
|
-
import { ChemElementInfo } from '@chemistry/elements';
|
|
2
|
-
import { Matrix3x4, Vec3 } from '@chemistry/math';
|
|
3
|
-
import { Atom } from './
|
|
4
|
-
import { Link } from './
|
|
5
|
-
import { UnitCell } from './
|
|
1
|
+
import { type ChemElementInfo } from '@chemistry/elements';
|
|
2
|
+
import { type Matrix3x4, Vec3 } from '@chemistry/math';
|
|
3
|
+
import { Atom } from './atom.js';
|
|
4
|
+
import { Link } from './link.js';
|
|
5
|
+
import { type UnitCell } from './unit-cell.js';
|
|
6
6
|
export declare class CellAtom {
|
|
7
7
|
/**
|
|
8
8
|
* Atom ID within molecule
|
|
@@ -93,4 +93,4 @@ export declare class CellAtom {
|
|
|
93
93
|
*/
|
|
94
94
|
createAtom(symetry: Matrix3x4, addToChields: boolean): Atom;
|
|
95
95
|
}
|
|
96
|
-
//# sourceMappingURL=
|
|
96
|
+
//# sourceMappingURL=cell-atom.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"cell-atom.d.ts","sourceRoot":"","sources":["../../src/molecule3d/cell-atom.ts"],"names":[],"mappings":"AAAA,OAAO,EAAgB,KAAK,eAAe,EAAE,MAAM,qBAAqB,CAAC;AACzE,OAAO,EAAE,KAAK,SAAS,EAAE,IAAI,EAAE,MAAM,iBAAiB,CAAC;AACvD,OAAO,EAAE,IAAI,EAAE,MAAM,WAAW,CAAC;AACjC,OAAO,EAAE,IAAI,EAAE,MAAM,WAAW,CAAC;AACjC,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE/C,qBAAa,QAAQ;IACnB;;OAEG;IACI,EAAE,EAAE,MAAM,CAAC;IAElB;;;OAGG;IACI,KAAK,EAAE,MAAM,CAAC;IAErB;;OAEG;IACI,OAAO,EAAE,eAAe,CAAC;IAEhC;;OAEG;IACI,QAAQ,EAAE,IAAI,CAAC;IAEtB;;OAEG;IACI,QAAQ,EAAE,QAAQ,CAAC;IAE1B;;OAEG;IACI,UAAU,EAAE,IAAI,CAAC;IAExB;;OAEG;IACI,SAAS,EAAE,MAAM,CAAC;IAEzB;;OAEG;IACI,IAAI,EAAE,MAAM,CAAC;IAEpB;;OAEG;IACI,QAAQ,EAAE,MAAM,CAAC;IAExB;;OAEG;IACI,KAAK,EAAE,MAAM,CAAC;IAErB;;OAEG;IACI,QAAQ,EAAE,IAAI,EAAE,CAAC;IAExB;;OAEG;IACI,KAAK,EAAE,IAAI,EAAE,CAAC;gBAET,IAAI,EAAE;QAChB,EAAE,EAAE,MAAM,CAAC;QACX,QAAQ,EAAE,QAAQ,CAAC;QACnB,IAAI,EAAE,MAAM,CAAC;QACb,KAAK,EAAE,MAAM,CAAC;QACd,CAAC,EAAE,MAAM,CAAC;QACV,CAAC,EAAE,MAAM,CAAC;QACV,CAAC,EAAE,MAAM,CAAC;QACV,SAAS,EAAE,MAAM,CAAC;QAClB,IAAI,EAAE,MAAM,CAAC;QACb,QAAQ,EAAE,MAAM,CAAC;QACjB,KAAK,EAAE,MAAM,CAAC;KACf;IAwBD;;OAEG;IACI,OAAO,CAAC,SAAS,EAAE,QAAQ,EAAE,OAAO,EAAE,SAAS;IAK/C,QAAQ;IAIf;;OAEG;IACI,QAAQ,CAAC,QAAQ,EAAE,IAAI,GAAG,OAAO;IAQxC;;OAEG;IACI,QAAQ,CAAC,QAAQ,EAAE,IAAI,GAAG,IAAI,GAAG,IAAI;IAS5C;;OAEG;IACI,oBAAoB,CAAC,OAAO,EAAE,SAAS,GAAG,OAAO;IAMxD;;OAEG;IACI,oBAAoB,CAAC,OAAO,EAAE,SAAS,GAAG,IAAI,GAAG,IAAI;IAK5D;;;OAGG;IAEI,UAAU,CAAC,OAAO,EAAE,SAAS,EAAE,YAAY,EAAE,OAAO;CAO5D"}
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
import { ChemElements } from '@chemistry/elements';
|
|
2
2
|
import { Vec3 } from '@chemistry/math';
|
|
3
|
-
import { Atom } from './
|
|
4
|
-
import { Link } from './
|
|
3
|
+
import { Atom } from './atom.js';
|
|
4
|
+
import { Link } from './link.js';
|
|
5
5
|
export class CellAtom {
|
|
6
6
|
/**
|
|
7
7
|
* Atom ID within molecule
|
|
@@ -129,4 +129,4 @@ export class CellAtom {
|
|
|
129
129
|
return atom;
|
|
130
130
|
}
|
|
131
131
|
}
|
|
132
|
-
//# sourceMappingURL=
|
|
132
|
+
//# sourceMappingURL=cell-atom.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"cell-atom.js","sourceRoot":"","sources":["../../src/molecule3d/cell-atom.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,YAAY,EAAwB,MAAM,qBAAqB,CAAC;AACzE,OAAO,EAAkB,IAAI,EAAE,MAAM,iBAAiB,CAAC;AACvD,OAAO,EAAE,IAAI,EAAE,MAAM,WAAW,CAAC;AACjC,OAAO,EAAE,IAAI,EAAE,MAAM,WAAW,CAAC;AAGjC,MAAM,OAAO,QAAQ;IACnB;;OAEG;IACI,EAAE,CAAS;IAElB;;;OAGG;IACI,KAAK,CAAS;IAErB;;OAEG;IACI,OAAO,CAAkB;IAEhC;;OAEG;IACI,QAAQ,CAAO;IAEtB;;OAEG;IACI,QAAQ,CAAW;IAE1B;;OAEG;IACI,UAAU,CAAO;IAExB;;OAEG;IACI,SAAS,CAAS;IAEzB;;OAEG;IACI,IAAI,CAAS;IAEpB;;OAEG;IACI,QAAQ,CAAS;IAExB;;OAEG;IACI,KAAK,CAAS;IAErB;;OAEG;IACI,QAAQ,CAAS;IAExB;;OAEG;IACI,KAAK,CAAS;IAErB,YAAY,IAYX;QACC,MAAM,OAAO,GAAG,YAAY,CAAC,WAAW,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QACpD,IAAI,CAAC,OAAO,EAAE,CAAC;YACb,MAAM,IAAI,KAAK,CAAC,4BAA4B,GAAG,OAAO,CAAC,CAAC;QAC1D,CAAC;QAED,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;QAEvB,IAAI,CAAC,EAAE,GAAG,IAAI,CAAC,EAAE,CAAC;QAClB,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC,QAAQ,CAAC;QAC9B,IAAI,CAAC,KAAK,GAAG,IAAI,CAAC,KAAK,IAAI,OAAO,CAAC,MAAM,IAAI,EAAE,CAAC;QAEhD,IAAI,CAAC,UAAU,GAAG,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC;QACnD,IAAI,CAAC,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC;QAChC,IAAI,CAAC,IAAI,GAAG,IAAI,CAAC,IAAI,CAAC;QACtB,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC,QAAQ,IAAI,EAAE,CAAC;QACpC,IAAI,CAAC,KAAK,GAAG,IAAI,CAAC,KAAK,IAAI,EAAE,CAAC;QAE9B,IAAI,CAAC,QAAQ,GAAG,IAAI,CAAC,QAAQ,CAAC,WAAW,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QAE3D,IAAI,CAAC,QAAQ,GAAG,EAAE,CAAC;QACnB,IAAI,CAAC,KAAK,GAAG,EAAE,CAAC;IAClB,CAAC;IAED;;OAEG;IACI,OAAO,CAAC,SAAmB,EAAE,OAAkB;QACpD,MAAM,IAAI,GAAG,IAAI,IAAI,CAAC,SAAS,EAAE,OAAO,CAAC,CAAC;QAC1C,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;IACxB,CAAC;IAEM,QAAQ;QACb,OAAO,IAAI,CAAC,KAAK,CAAC;IACpB,CAAC;IAED;;OAEG;IACI,QAAQ,CAAC,QAAc;QAC5B,KAAK,MAAM,EAAE,IAAI,IAAI,CAAC,QAAQ,EAAE,CAAC;YAC/B,IAAI,EAAE,CAAC,UAAU,CAAC,MAAM,CAAC,QAAQ,CAAC,EAAE,CAAC;gBACnC,OAAO,IAAI,CAAC;YACd,CAAC;QACH,CAAC;QACD,OAAO,KAAK,CAAC;IACf,CAAC;IACD;;OAEG;IACI,QAAQ,CAAC,QAAc;QAC5B,KAAK,MAAM,EAAE,IAAI,IAAI,CAAC,QAAQ,EAAE,CAAC;YAC/B,IAAI,EAAE,CAAC,UAAU,CAAC,MAAM,CAAC,QAAQ,CAAC,EAAE,CAAC;gBACnC,OAAO,EAAE,CAAC;YACZ,CAAC;QACH,CAAC;QACD,OAAO,IAAI,CAAC;IACd,CAAC;IAED;;OAEG;IACI,oBAAoB,CAAC,OAAkB;QAC5C,iCAAiC;QACjC,MAAM,gBAAgB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QAC1D,OAAO,IAAI,CAAC,QAAQ,CAAC,gBAAgB,CAAC,CAAC;IACzC,CAAC;IAED;;OAEG;IACI,oBAAoB,CAAC,OAAkB;QAC5C,MAAM,gBAAgB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QAC1D,OAAO,IAAI,CAAC,QAAQ,CAAC,gBAAgB,CAAC,CAAC;IACzC,CAAC;IAED;;;OAGG;IAEI,UAAU,CAAC,OAAkB,EAAE,YAAqB;QACzD,MAAM,IAAI,GAAG,IAAI,IAAI,CAAC,IAAI,EAAE,OAAO,CAAC,CAAC;QACrC,IAAI,YAAY,EAAE,CAAC;YACjB,IAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QAC3B,CAAC;QACD,OAAO,IAAI,CAAC;IACd,CAAC;CACF"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import { Molecule3D } from '../
|
|
2
|
-
import { IMoleculeReader } from './
|
|
1
|
+
import { type Molecule3D } from '../molecule3d.js';
|
|
2
|
+
import { type IMoleculeReader } from './molecule-reader.interface.js';
|
|
3
3
|
export declare class MoleculeReaderJCIF implements IMoleculeReader {
|
|
4
4
|
name: string;
|
|
5
5
|
extension: string[];
|
|
@@ -9,4 +9,4 @@ export declare class MoleculeReaderJCIF implements IMoleculeReader {
|
|
|
9
9
|
private remapCoordLoop;
|
|
10
10
|
private extractCoordLoop;
|
|
11
11
|
}
|
|
12
|
-
//# sourceMappingURL=
|
|
12
|
+
//# sourceMappingURL=molecule-reader-jcif.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-reader-jcif.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/io/molecule-reader-jcif.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,KAAK,UAAU,EAAE,MAAM,kBAAkB,CAAC;AAEnD,OAAO,EAAE,KAAK,eAAe,EAAE,MAAM,gCAAgC,CAAC;AA+BtE,qBAAa,kBAAmB,YAAW,eAAe;IACjD,IAAI,EAAE,MAAM,CAAC;IACb,SAAS,EAAE,MAAM,EAAE,CAAC;IACpB,WAAW,EAAE,MAAM,CAAC;;IAQpB,YAAY,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM;IAsDtD,OAAO,CAAC,cAAc;IA4DtB,OAAO,CAAC,gBAAgB;CAMzB"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
import { SpaceGroup } from '@chemistry/space-groups';
|
|
2
|
-
import { UnitCell } from '../
|
|
2
|
+
import { UnitCell } from '../unit-cell.js';
|
|
3
3
|
export class MoleculeReaderJCIF {
|
|
4
4
|
name;
|
|
5
5
|
extension;
|
|
@@ -105,11 +105,9 @@ export class MoleculeReaderJCIF {
|
|
|
105
105
|
}
|
|
106
106
|
extractCoordLoop(data) {
|
|
107
107
|
if (Array.isArray(data.loops)) {
|
|
108
|
-
return data.loops.filter((loopItem) =>
|
|
109
|
-
return loopItem.columns.includes('_atom_site_fract_x');
|
|
110
|
-
});
|
|
108
|
+
return data.loops.filter((loopItem) => loopItem.columns.includes('_atom_site_fract_x'));
|
|
111
109
|
}
|
|
112
110
|
return [];
|
|
113
111
|
}
|
|
114
112
|
}
|
|
115
|
-
//# sourceMappingURL=
|
|
113
|
+
//# sourceMappingURL=molecule-reader-jcif.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-reader-jcif.js","sourceRoot":"","sources":["../../../src/molecule3d/io/molecule-reader-jcif.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,UAAU,EAAE,MAAM,yBAAyB,CAAC;AAErD,OAAO,EAAE,QAAQ,EAAE,MAAM,iBAAiB,CAAC;AAgC3C,MAAM,OAAO,kBAAkB;IACtB,IAAI,CAAS;IACb,SAAS,CAAW;IACpB,WAAW,CAAS;IAE3B;QACE,IAAI,CAAC,IAAI,GAAG,MAAM,CAAC;QACnB,IAAI,CAAC,SAAS,GAAG,CAAC,MAAM,CAAC,CAAC;QAC1B,IAAI,CAAC,WAAW,GAAG,sBAAsB,CAAC;IAC5C,CAAC;IAEM,YAAY,CAAC,QAAoB,EAAE,IAAY;QACpD,QAAQ,CAAC,KAAK,EAAE,CAAC;QAEjB,MAAM,IAAI,GAAG,IAAgB,CAAC;QAE9B,MAAM,CAAC,GAAG,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;QAC7B,MAAM,CAAC,GAAG,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;QAC7B,MAAM,CAAC,GAAG,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;QAC7B,MAAM,KAAK,GAAG,UAAU,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QACrC,MAAM,IAAI,GAAG,UAAU,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QACnC,MAAM,KAAK,GAAG,UAAU,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QAErC,IACE,CAAC,QAAQ,CAAC,CAAC,CAAC;YACZ,CAAC,QAAQ,CAAC,CAAC,CAAC;YACZ,CAAC,QAAQ,CAAC,CAAC,CAAC;YACZ,CAAC,QAAQ,CAAC,KAAK,CAAC;YAChB,CAAC,QAAQ,CAAC,IAAI,CAAC;YACf,CAAC,QAAQ,CAAC,KAAK,CAAC,EAChB,CAAC;YACD,MAAM,IAAI,KAAK,CAAC,wBAAwB,CAAC,CAAC;QAC5C,CAAC;QAED,IAAI,CAAC,IAAI,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,EAAE,EAAE,CAAC;YAC7B,MAAM,IAAI,KAAK,CAAC,6BAA6B,CAAC,CAAC;QACjD,CAAC;QAED,IAAI,UAAU,GAAG,IAAI,CAAC;QACtB,IAAI,IAAI,CAAC,MAAM,EAAE,CAAC;YAChB,UAAU,GAAG,UAAU,CAAC,aAAa,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;QACrD,CAAC;QACD,IAAI,CAAC,UAAU,IAAI,IAAI,CAAC,EAAE,EAAE,CAAC;YAC3B,UAAU,GAAG,UAAU,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAC/C,CAAC;QAED,IAAI,CAAC,UAAU,EAAE,CAAC;YAChB,MAAM,IAAI,KAAK,CAAC,wBAAwB,CAAC,CAAC;QAC5C,CAAC;QAED,0BAA0B;QAC1B,MAAM,QAAQ,GAAG,IAAI,QAAQ,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,KAAK,EAAE,IAAI,EAAE,KAAK,EAAE,UAAU,CAAC,CAAC;QACvE,QAAQ,CAAC,QAAQ,GAAG,QAAQ,CAAC;QAE7B,MAAM,SAAS,GAAG,IAAI,CAAC,gBAAgB,CAAC,IAAI,CAAC,CAAC;QAE9C,IAAI,QAAQ,GAAc,EAAE,CAAC;QAC7B,IAAI,SAAS,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YACzB,QAAQ,GAAG,IAAI,CAAC,cAAc,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC;QAC/C,CAAC;QACD,QAAQ,CAAC,OAAO,CAAC,CAAC,QAAQ,EAAE,EAAE;YAC5B,QAAQ,CAAC,WAAW,CAAC,QAAQ,CAAC,CAAC;QACjC,CAAC,CAAC,CAAC;IACL,CAAC;IAEO,cAAc,CAAC,IAAc;QACnC,MAAM,OAAO,GAA2B;YACtC,yBAAyB,EAAE,CAAC,CAAC;YAC7B,4BAA4B,EAAE,CAAC,CAAC;YAChC,yBAAyB,EAAE,CAAC,CAAC;YAC7B,kBAAkB,EAAE,CAAC,CAAC;YACtB,kBAAkB,EAAE,CAAC,CAAC;YACtB,kBAAkB,EAAE,CAAC,CAAC;YACtB,gBAAgB,EAAE,CAAC,CAAC;YACpB,oBAAoB,EAAE,CAAC,CAAC;YACxB,sBAAsB,EAAE,CAAC,CAAC;SAC3B,CAAC;QAEF,eAAe;QACf,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,EAAE,EAAE;YACnC,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,OAAO,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QAC3C,CAAC,CAAC,CAAC;QAEH,SAAS,OAAO,CAAC,IAAY,EAAE,GAAa;YAC1C,IAAI,OAAO,OAAO,CAAC,IAAI,CAAC,KAAK,QAAQ,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,CAAC;gBAC9D,OAAO,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;YAC5B,CAAC;YACD,OAAO,SAAS,CAAC;QACnB,CAAC;QAED,SAAS,UAAU,CAAC,IAAY,EAAE,GAAa,EAAE,YAAoB;YACnE,MAAM,QAAQ,GAAG,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC;YACpC,IAAI,QAAQ,KAAK,SAAS,EAAE,CAAC;gBAC3B,OAAO,YAAY,CAAC;YACtB,CAAC;YACD,MAAM,KAAK,GAAG,UAAU,CAAC,QAAQ,CAAC,CAAC;YAEnC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,EAAE,CAAC;gBACrB,OAAO,YAAY,CAAC;YACtB,CAAC;YACD,OAAO,KAAK,CAAC;QACf,CAAC;QAED,IAAI,QAAQ,GAAc,EAAE,CAAC;QAC7B,IAAI,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC;YAC7B,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,GAAa,EAAE,EAAE;gBACzC,MAAM,IAAI,GAAG,OAAO,CAAC,wBAAwB,EAAE,GAAG,CAAC,IAAI,GAAG,CAAC;gBAE3D,OAAO;oBACL,QAAQ,EAAE,OAAO,CAAC,8BAA8B,EAAE,GAAG,CAAC,IAAI,EAAE;oBAC5D,KAAK,EAAE,OAAO,CAAC,2BAA2B,EAAE,GAAG,CAAC,IAAI,EAAE;oBACtD,KAAK,EAAE,OAAO,CAAC,kBAAkB,EAAE,GAAG,CAAC,IAAI,IAAI;oBAC/C,SAAS,EAAE,UAAU,CAAC,sBAAsB,EAAE,GAAG,EAAE,CAAC,CAAC;oBACrD,IAAI;oBACJ,IAAI,EAAE,UAAU,CAAC,2BAA2B,EAAE,GAAG,EAAE,CAAC,CAAC;oBACrD,CAAC,EAAE,UAAU,CAAC,oBAAoB,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC3C,CAAC,EAAE,UAAU,CAAC,oBAAoB,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC3C,CAAC,EAAE,UAAU,CAAC,oBAAoB,EAAE,GAAG,EAAE,CAAC,CAAC;iBAC5C,CAAC;YACJ,CAAC,CAAC,CAAC;QACL,CAAC;QAED,OAAO,QAAQ,CAAC;IAClB,CAAC;IAEO,gBAAgB,CAAC,IAAc;QACrC,IAAI,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC;YAC9B,OAAO,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,QAAQ,EAAE,EAAE,CAAC,QAAQ,CAAC,OAAO,CAAC,QAAQ,CAAC,oBAAoB,CAAC,CAAC,CAAC;QAC1F,CAAC;QACD,OAAO,EAAE,CAAC;IACZ,CAAC;CACF"}
|
|
@@ -1,8 +1,8 @@
|
|
|
1
|
-
import { Molecule3D } from '../
|
|
1
|
+
import { type Molecule3D } from '../molecule3d.js';
|
|
2
2
|
export interface IMoleculeReader {
|
|
3
3
|
name: string;
|
|
4
4
|
extension: string[];
|
|
5
5
|
description: string;
|
|
6
6
|
loadMolecule(molecule: Molecule3D, data: string | object): void;
|
|
7
7
|
}
|
|
8
|
-
//# sourceMappingURL=
|
|
8
|
+
//# sourceMappingURL=molecule-reader.interface.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-reader.interface.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/io/molecule-reader.interface.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,UAAU,EAAE,MAAM,kBAAkB,CAAC;AAEnD,MAAM,WAAW,eAAe;IAC9B,IAAI,EAAE,MAAM,CAAC;IACb,SAAS,EAAE,MAAM,EAAE,CAAC;IACpB,WAAW,EAAE,MAAM,CAAC;IACpB,YAAY,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,GAAG,IAAI,CAAC;CACjE"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-reader.interface.js","sourceRoot":"","sources":["../../../src/molecule3d/io/molecule-reader.interface.ts"],"names":[],"mappings":""}
|
|
@@ -1,6 +1,6 @@
|
|
|
1
|
-
import { Vec3 } from '@chemistry/math';
|
|
2
|
-
import { Matrix3x4 } from '@chemistry/math';
|
|
3
|
-
import { CellAtom } from './
|
|
1
|
+
import { type Vec3 } from '@chemistry/math';
|
|
2
|
+
import { type Matrix3x4 } from '@chemistry/math';
|
|
3
|
+
import { type CellAtom } from './cell-atom.js';
|
|
4
4
|
export declare class Link {
|
|
5
5
|
atom: CellAtom;
|
|
6
6
|
symetry: Matrix3x4;
|
|
@@ -12,4 +12,4 @@ export declare class Link {
|
|
|
12
12
|
fractional: Vec3;
|
|
13
13
|
constructor(atom: CellAtom, symetry: Matrix3x4, order?: number);
|
|
14
14
|
}
|
|
15
|
-
//# sourceMappingURL=
|
|
15
|
+
//# sourceMappingURL=link.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"link.d.ts","sourceRoot":"","sources":["../../src/molecule3d/link.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAC5C,OAAO,EAAE,KAAK,SAAS,EAAE,MAAM,iBAAiB,CAAC;AACjD,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE/C,qBAAa,IAAI;IACR,IAAI,EAAE,QAAQ,CAAC;IACf,OAAO,EAAE,SAAS,CAAC;IACnB,KAAK,EAAE,MAAM,CAAC;IACrB;;;OAGG;IACI,UAAU,EAAE,IAAI,CAAC;gBAEZ,IAAI,EAAE,QAAQ,EAAE,OAAO,EAAE,SAAS,EAAE,KAAK,CAAC,EAAE,MAAM;CAM/D"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"
|
|
1
|
+
{"version":3,"file":"link.js","sourceRoot":"","sources":["../../src/molecule3d/link.ts"],"names":[],"mappings":"AAIA,MAAM,OAAO,IAAI;IACR,IAAI,CAAW;IACf,OAAO,CAAY;IACnB,KAAK,CAAS;IACrB;;;OAGG;IACI,UAAU,CAAO;IAExB,YAAY,IAAc,EAAE,OAAkB,EAAE,KAAc;QAC5D,IAAI,CAAC,IAAI,GAAG,IAAI,CAAC;QACjB,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;QACvB,IAAI,CAAC,KAAK,GAAG,KAAK,IAAI,CAAC,CAAC;QACxB,IAAI,CAAC,UAAU,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;IACrD,CAAC;CACF"}
|
|
@@ -1,7 +1,7 @@
|
|
|
1
|
-
import { Vec3 } from '@chemistry/math';
|
|
1
|
+
import { type Vec3 } from '@chemistry/math';
|
|
2
2
|
export declare class MarkerContact {
|
|
3
3
|
position1: Vec3;
|
|
4
4
|
position2: Vec3;
|
|
5
5
|
constructor(position1: Vec3, position2: Vec3);
|
|
6
6
|
}
|
|
7
|
-
//# sourceMappingURL=
|
|
7
|
+
//# sourceMappingURL=marker-contact.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"marker-contact.d.ts","sourceRoot":"","sources":["../../src/molecule3d/marker-contact.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAE5C,qBAAa,aAAa;IACjB,SAAS,EAAE,IAAI,CAAC;IAChB,SAAS,EAAE,IAAI,CAAC;gBAEX,SAAS,EAAE,IAAI,EAAE,SAAS,EAAE,IAAI;CAI7C"}
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"marker-contact.js","sourceRoot":"","sources":["../../src/molecule3d/marker-contact.ts"],"names":[],"mappings":"AAEA,MAAM,OAAO,aAAa;IACjB,SAAS,CAAO;IAChB,SAAS,CAAO;IAEvB,YAAY,SAAe,EAAE,SAAe;QAC1C,IAAI,CAAC,SAAS,GAAG,SAAS,CAAC;QAC3B,IAAI,CAAC,SAAS,GAAG,SAAS,CAAC;IAC7B,CAAC;CACF"}
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@@ -1,9 +1,9 @@
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1
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-
import { Matrix3x4, Vec3 } from '@chemistry/math';
|
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2
|
-
import { CellAtom } from './
|
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1
|
+
import { type Matrix3x4, type Vec3 } from '@chemistry/math';
|
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2
|
+
import { type CellAtom } from './cell-atom.js';
|
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3
3
|
export declare class Marker {
|
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4
4
|
position: Vec3;
|
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5
5
|
symetry: Matrix3x4;
|
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6
6
|
cellAtom: CellAtom;
|
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7
7
|
constructor(position: Vec3, symetry: Matrix3x4, cellAtom: CellAtom);
|
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8
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}
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9
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-
//# sourceMappingURL=
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9
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+
//# sourceMappingURL=marker.d.ts.map
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@@ -0,0 +1 @@
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1
|
+
{"version":3,"file":"marker.d.ts","sourceRoot":"","sources":["../../src/molecule3d/marker.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,SAAS,EAAE,KAAK,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE/C,qBAAa,MAAM;IACV,QAAQ,EAAE,IAAI,CAAC;IACf,OAAO,EAAE,SAAS,CAAC;IACnB,QAAQ,EAAE,QAAQ,CAAC;gBAEd,QAAQ,EAAE,IAAI,EAAE,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,QAAQ;CAKnE"}
|
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"
|
|
1
|
+
{"version":3,"file":"marker.js","sourceRoot":"","sources":["../../src/molecule3d/marker.ts"],"names":[],"mappings":"AAGA,MAAM,OAAO,MAAM;IACV,QAAQ,CAAO;IACf,OAAO,CAAY;IACnB,QAAQ,CAAW;IAE1B,YAAY,QAAc,EAAE,OAAkB,EAAE,QAAkB;QAChE,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;QACzB,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;QACvB,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;IAC3B,CAAC;CACF"}
|
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@@ -1,7 +1,7 @@
|
|
|
1
|
-
import { Matrix3x4 } from '@chemistry/math';
|
|
2
|
-
import { CellAtom } from './
|
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3
|
-
import { Marker } from './
|
|
4
|
-
import { Molecule3D } from './
|
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1
|
+
import { type Matrix3x4 } from '@chemistry/math';
|
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2
|
+
import { type CellAtom } from './cell-atom.js';
|
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3
|
+
import { Marker } from './marker.js';
|
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4
|
+
import { type Molecule3D } from './molecule3d.js';
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5
5
|
export declare class MoleculeBuilder {
|
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6
6
|
private molecule;
|
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7
7
|
constructor(molecule: Molecule3D);
|
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@@ -17,4 +17,4 @@ export declare class MoleculeBuilder {
|
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17
17
|
extendByMarker(marker: Marker): void;
|
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18
18
|
addMarkers(): void;
|
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19
19
|
}
|
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20
|
-
//# sourceMappingURL=
|
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20
|
+
//# sourceMappingURL=molecule-builder.d.ts.map
|
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@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-builder.d.ts","sourceRoot":"","sources":["../../src/molecule3d/molecule-builder.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,SAAS,EAAa,MAAM,iBAAiB,CAAC;AAG5D,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAC/C,OAAO,EAAE,MAAM,EAAE,MAAM,aAAa,CAAC;AAErC,OAAO,EAAE,KAAK,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAGlD,qBAAa,eAAe;IAC1B,OAAO,CAAC,QAAQ,CAAa;gBAEjB,QAAQ,EAAE,UAAU;IAIhC;;OAEG;IACI,cAAc;IAId,iBAAiB,CAAC,WAAW,EAAE,MAAM,EAAE;IAavC,gBAAgB,CACrB,KAAK,EAAE,QAAQ,EACf,OAAO,EAAE,SAAS,GACjB;QAAE,IAAI,EAAE,QAAQ,CAAC;QAAC,OAAO,EAAE,SAAS,CAAA;KAAE,EAAE;IA+CpC,cAAc,CAAC,MAAM,EAAE,MAAM;IA+B7B,UAAU;CA8ClB"}
|
|
@@ -1,7 +1,7 @@
|
|
|
1
|
-
import { Bond } from './
|
|
2
|
-
import { Marker } from './
|
|
3
|
-
import { MarkerContact } from './
|
|
4
|
-
import { UnitCell } from './
|
|
1
|
+
import { Bond } from './bond.js';
|
|
2
|
+
import { Marker } from './marker.js';
|
|
3
|
+
import { MarkerContact } from './marker-contact.js';
|
|
4
|
+
import { UnitCell } from './unit-cell.js';
|
|
5
5
|
export class MoleculeBuilder {
|
|
6
6
|
molecule;
|
|
7
7
|
constructor(molecule) {
|
|
@@ -128,4 +128,4 @@ export class MoleculeBuilder {
|
|
|
128
128
|
}
|
|
129
129
|
}
|
|
130
130
|
}
|
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131
|
-
//# sourceMappingURL=
|
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131
|
+
//# sourceMappingURL=molecule-builder.js.map
|
|
@@ -0,0 +1 @@
|
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|
1
|
+
{"version":3,"file":"molecule-builder.js","sourceRoot":"","sources":["../../src/molecule3d/molecule-builder.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,IAAI,EAAE,MAAM,WAAW,CAAC;AAEjC,OAAO,EAAE,MAAM,EAAE,MAAM,aAAa,CAAC;AACrC,OAAO,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAEpD,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE1C,MAAM,OAAO,eAAe;IAClB,QAAQ,CAAa;IAE7B,YAAY,QAAoB;QAC9B,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;IAC3B,CAAC;IAED;;OAEG;IACI,cAAc;QACnB,IAAI,CAAC,iBAAiB,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;IACpC,CAAC;IAEM,iBAAiB,CAAC,WAAqB;QAC5C,KAAK,MAAM,KAAK,IAAI,IAAI,CAAC,QAAQ,CAAC,SAAS,EAAE,CAAC;YAC5C,KAAK,MAAM,WAAW,IAAI,WAAW,EAAE,CAAC;gBACtC,MAAM,OAAO,GAAG,QAAQ,CAAC,oBAAoB,CAAC,WAAW,CAAC,CAAC;gBAE3D,sBAAsB;gBACtB,IAAI,CAAC,gBAAgB,CAAC,KAAK,EAAE,OAAO,CAAC,CAAC;YACxC,CAAC;QACH,CAAC;QAED,IAAI,CAAC,UAAU,EAAE,CAAC;IACpB,CAAC;IAEM,gBAAgB,CACrB,KAAe,EACf,OAAkB;QAElB,MAAM,OAAO,GAA6C,EAAE,CAAC;QAE7D,2BAA2B;QAC3B,IAAI,CAAC,QAAQ,CAAC,iBAAiB,EAAE,CAAC;QAElC,iCAAiC;QACjC,MAAM,gBAAgB,GAAG,OAAO,CAAC,OAAO,CAAC,KAAK,CAAC,UAAU,CAAC,CAAC;QAC3D,MAAM,KAAK,GAAG,KAAK,CAAC,QAAQ,CAAC,gBAAgB,CAAC,CAAC;QAE/C,IAAI,IAAU,CAAC;QACf,yCAAyC;QACzC,IAAI,CAAC,KAAK,EAAE,CAAC;YACX,mCAAmC;YACnC,IAAI,GAAG,KAAK,CAAC,UAAU,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC;YACvC,IAAI,CAAC,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC;QAC9B,CAAC;aAAM,CAAC;YACN,IAAI,GAAG,KAAK,CAAC;QACf,CAAC;QAED,mBAAmB;QACnB,sBAAsB;QACtB,MAAM,KAAK,GAAG,KAAK,CAAC,QAAQ,EAAE,CAAC;QAE/B,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE,CAAC;YACzB,iBAAiB;YACjB,MAAM,OAAO,GAAG,IAAI,CAAC,IAAI,CAAC;YAE1B,oCAAoC;YACpC,MAAM,SAAS,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;YACnD,MAAM,KAAK,GAAG,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAC,CAAC;YAE1C,wBAAwB;YACxB,IAAI,KAAK,EAAE,CAAC;gBACV,MAAM,IAAI,GAAG,IAAI,IAAI,CAAC,IAAI,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC;gBACtC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;YACjC,CAAC;iBAAM,CAAC;gBACN,OAAO,CAAC,IAAI,CAAC;oBACX,IAAI,EAAE,OAAO;oBACb,OAAO;iBACR,CAAC,CAAC;YACL,CAAC;QACH,CAAC;QAED,OAAO,OAAO,CAAC;IACjB,CAAC;IAEM,cAAc,CAAC,MAAc;QAClC,MAAM,WAAW,GAA6C,EAAE,CAAC;QAEjE,WAAW,CAAC,IAAI,CAAC;YACf,IAAI,EAAE,MAAM,CAAC,QAAQ;YACrB,OAAO,EAAE,MAAM,CAAC,OAAO;SACxB,CAAC,CAAC;QAEH,MAAM,GAAG,GAAG,MAAM,CAAC,OAAO,CAAC;QAC3B,IAAI,CAAC,GAAG,IAAI,CAAC;QAEb,OAAO,WAAW,CAAC,MAAM,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;YACvC,CAAC,EAAE,CAAC;YACJ,MAAM,aAAa,GAAG,WAAW,CAAC,KAAK,EAAE,CAAC;YAC1C,IAAI,CAAC,aAAa,EAAE,CAAC;gBACnB,SAAS;YACX,CAAC;YAED,IAAI,CAAC,aAAa,CAAC,OAAO,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC;gBACvC,SAAS;YACX,CAAC;YAED,CAAC;gBACC,MAAM,OAAO,GAAG,IAAI,CAAC,gBAAgB,CAAC,aAAa,CAAC,IAAI,EAAE,aAAa,CAAC,OAAO,CAAC,CAAC;gBACjF,WAAW,CAAC,IAAI,CAAC,GAAG,OAAO,CAAC,CAAC;YAC/B,CAAC;QACH,CAAC;QAED,IAAI,CAAC,UAAU,EAAE,CAAC;IACpB,CAAC;IAEM,UAAU;QACf,MAAM,SAAS,GAAG,IAAI,CAAC,QAAQ,CAAC,SAAS,CAAC;QAC1C,MAAM,QAAQ,GAAG,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC;QACxC,MAAM,gBAAgB,GAAW,EAAE,CAAC;QACpC,IAAI,CAAC,QAAQ,CAAC,OAAO,GAAG,EAAE,CAAC;QAC3B,IAAI,CAAC,QAAQ,CAAC,eAAe,GAAG,EAAE,CAAC;QAEnC,MAAM,OAAO,GAAG,IAAI,CAAC,QAAQ,CAAC,OAAO,CAAC;QACtC,MAAM,eAAe,GAAG,IAAI,CAAC,QAAQ,CAAC,eAAe,CAAC;QAEtD,MAAM,MAAM,GAAG,CAAC,QAAc,EAAE,EAAE;YAChC,KAAK,MAAM,SAAS,IAAI,gBAAgB,EAAE,CAAC;gBACzC,IAAI,SAAS,CAAC,MAAM,CAAC,QAAQ,CAAC,EAAE,CAAC;oBAC/B,OAAO,IAAI,CAAC;gBACd,CAAC;YACH,CAAC;YACD,OAAO,KAAK,CAAC;QACf,CAAC,CAAC;QAEF,8BAA8B;QAC9B,KAAK,MAAM,KAAK,IAAI,SAAS,EAAE,CAAC;YAC9B,KAAK,MAAM,IAAI,IAAI,KAAK,CAAC,QAAQ,EAAE,CAAC;gBAClC,MAAM,WAAW,GAAG,IAAI,CAAC,OAAO,CAAC;gBAEjC,KAAK,MAAM,IAAI,IAAI,KAAK,CAAC,KAAK,EAAE,CAAC;oBAC/B,MAAM,OAAO,GAAG,IAAI,CAAC,IAAI,CAAC;oBAC1B,MAAM,OAAO,GAAG,IAAI,CAAC,OAAO,CAAC;oBAE7B,MAAM,YAAY,GAAG,WAAW,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;oBACnD,8DAA8D;oBAC9D,IAAI,SAAS,GAAG,OAAO,CAAC,OAAO,CAAC,OAAO,CAAC,UAAU,CAAC,CAAC;oBACpD,SAAS,GAAG,WAAW,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC;oBAC3C,MAAM,KAAK,GAAG,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAC,CAAC;oBAE1C,IAAI,CAAC,KAAK,EAAE,CAAC;wBACX,MAAM,SAAS,GAAG,QAAQ,CAAC,WAAW,CAAC,SAAS,CAAC,CAAC;wBAClD,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,EAAE,CAAC;4BACvB,gBAAgB,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;4BACjC,OAAO,CAAC,IAAI,CAAC,IAAI,MAAM,CAAC,SAAS,EAAE,YAAY,EAAE,OAAO,CAAC,CAAC,CAAC;4BAC3D,eAAe,CAAC,IAAI,CAAC,IAAI,aAAa,CAAC,IAAI,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC,CAAC;wBACpE,CAAC;oBACH,CAAC;gBACH,CAAC;YACH,CAAC;QACH,CAAC;IACH,CAAC;CACF"}
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import { Molecule3D } from './
|
|
1
|
+
import { type Molecule3D } from './molecule3d.js';
|
|
2
2
|
export declare class MoleculeConnector {
|
|
3
3
|
private molecule;
|
|
4
4
|
constructor(molecule: Molecule3D);
|
|
@@ -7,4 +7,4 @@ export declare class MoleculeConnector {
|
|
|
7
7
|
private isSutableByAssembly;
|
|
8
8
|
private isConnected;
|
|
9
9
|
}
|
|
10
|
-
//# sourceMappingURL=
|
|
10
|
+
//# sourceMappingURL=molecule-connector.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-connector.d.ts","sourceRoot":"","sources":["../../src/molecule3d/molecule-connector.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,KAAK,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAKlD,qBAAa,iBAAiB;IAC5B,OAAO,CAAC,QAAQ,CAAa;gBAEjB,QAAQ,EAAE,UAAU;IAIzB,iBAAiB;IAWxB,OAAO,CAAC,kBAAkB;IA4F1B,OAAO,CAAC,mBAAmB;IAa3B,OAAO,CAAC,WAAW;CAWpB"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule-connector.js","sourceRoot":"","sources":["../../src/molecule3d/molecule-connector.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAIvC,MAAM,YAAY,GAAG,GAAG,CAAC;AACzB,MAAM,UAAU,GAAG,GAAG,CAAC;AAEvB,MAAM,OAAO,iBAAiB;IACpB,QAAQ,CAAa;IAE7B,YAAY,QAAoB;QAC9B,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;IAC3B,CAAC;IAEM,iBAAiB;QACtB,aAAa;QACb,IAAI,IAAI,CAAC,QAAQ,CAAC,SAAS,CAAC,MAAM,KAAK,CAAC,EAAE,CAAC;YACzC,OAAO;QACT,CAAC;QAED,qBAAqB;QACrB,uBAAuB;QACvB,IAAI,CAAC,kBAAkB,EAAE,CAAC;IAC5B,CAAC;IAEO,kBAAkB;QACxB,MAAM,SAAS,GAAG,IAAI,CAAC,QAAQ,CAAC,SAAS,CAAC;QAC1C,MAAM,QAAQ,GAAG,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC;QACxC,IAAI,OAAO,GAAG,CAAC,QAAQ,CAAC;QAExB,4BAA4B;QAC5B,KAAK,MAAM,IAAI,IAAI,SAAS,EAAE,CAAC;YAC7B,OAAO,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,EAAE,OAAO,CAAC,CAAC;QACjD,CAAC;QAED,yBAAyB;QACzB,MAAM,QAAQ,GAAG,OAAO,GAAG,CAAC,GAAG,UAAU,CAAC;QAC1C,+CAA+C;QAC/C,IAAI,EAAE,GAAG,IAAI,IAAI,CAAC,QAAQ,EAAE,QAAQ,EAAE,QAAQ,CAAC,CAAC;QAChD,IAAI,EAAE,GAAG,IAAI,IAAI,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,CAAC;QAEnD,KAAK,MAAM,IAAI,IAAI,SAAS,EAAE,CAAC;YAC7B,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvC,EAAE,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;QACzC,CAAC;QAED,gCAAgC;QAChC,MAAM,KAAK,GAAG,IAAI,IAAI,CAAC,CAAC,GAAG,OAAO,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,GAAG,OAAO,CAAC,CAAC;QAC9D,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QACnB,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAEnB,MAAM,WAAW,GAAG,QAAQ,CAAC,WAAW,CAAC;QACzC,MAAM,YAAY,GAAG,QAAQ,CAAC,uBAAuB,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;QAE9D,8BAA8B;QAC9B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC;YAC1C,MAAM,KAAK,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;YAE3B,8BAA8B;YAC9B,KAAK,MAAM,OAAO,IAAI,WAAW,EAAE,CAAC;gBAClC,iBAAiB;gBACjB,MAAM,IAAI,GAAG,OAAO,CAAC,OAAO,CAAC,KAAK,CAAC,UAAU,CAAC,CAAC;gBAE/C,4BAA4B;gBAC5B,MAAM,IAAI,GAAG,IAAI,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;gBAEnC,qCAAqC;gBACrC,MAAM,cAAc,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,IAAI,CAAC,CAAC;gBAE5C,KAAK,MAAM,EAAE,IAAI,YAAY,EAAE,CAAC;oBAC9B,MAAM,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,CAAC,6BAA6B;oBAE9D,2BAA2B;oBAC3B,MAAM,IAAI,GAAG,QAAQ,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC;oBAExC,MAAM,EAAE,GAAG,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,CAAC;oBAC5C,MAAM,EAAE,GAAG,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,CAAC;oBAC5C,MAAM,EAAE,GAAG,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,CAAC;oBAE5C,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,EAAE,CAAC;wBACnB,MAAM,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,cAAc,CAAC,CAAC;wBAE3C,KAAK,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC;4BAC9C,MAAM,MAAM,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;4BAE5B,IAAI,CAAC,IAAI,CAAC,mBAAmB,CAAC,KAAK,EAAE,MAAM,CAAC,EAAE,CAAC;gCAC7C,SAAS;4BACX,CAAC;4BAED,MAAM,IAAI,GAAG,IAAI,IAAI,CACnB,IAAI,CAAC,GAAG,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EACpC,IAAI,CAAC,GAAG,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EACpC,IAAI,CAAC,GAAG,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CACrC,CAAC;4BACF,MAAM,OAAO,GAAG,IAAI,CAAC,CAAC,IAAI,QAAQ,IAAI,IAAI,CAAC,CAAC,IAAI,QAAQ,IAAI,IAAI,CAAC,CAAC,IAAI,QAAQ,CAAC;4BAC/E,IAAI,CAAC,OAAO,EAAE,CAAC;gCACb,SAAS;4BACX,CAAC;4BAED,IAAI,IAAI,CAAC,WAAW,CAAC,MAAM,EAAE,KAAK,EAAE,IAAI,CAAC,EAAE,CAAC;gCAC1C,MAAM,GAAG,GAAG,OAAO,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC;gCACrC,MAAM,UAAU,GAAG,GAAG,CAAC,OAAO,EAAE,CAAC;gCAEjC,MAAM,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;gCAC3B,KAAK,CAAC,OAAO,CAAC,MAAM,EAAE,UAAU,CAAC,CAAC;4BACpC,CAAC;wBACH,CAAC;oBACH,CAAC;gBACH,CAAC;YACH,CAAC;QACH,CAAC;IACH,CAAC;IAEO,mBAAmB,CAAC,KAAe,EAAE,KAAe;QAC1D,IAAI,KAAK,CAAC,QAAQ,IAAI,KAAK,CAAC,QAAQ,IAAI,KAAK,CAAC,KAAK,IAAI,KAAK,CAAC,KAAK,EAAE,CAAC;YACnE,IAAI,KAAK,CAAC,KAAK,IAAI,KAAK,CAAC,KAAK,KAAK,IAAI,IAAI,KAAK,CAAC,KAAK,KAAK,GAAG,EAAE,CAAC;gBAC/D,OAAO,KAAK,CAAC;YACf,CAAC;YACD,IAAI,KAAK,CAAC,KAAK,IAAI,KAAK,CAAC,KAAK,KAAK,IAAI,IAAI,KAAK,CAAC,KAAK,KAAK,GAAG,EAAE,CAAC;gBAC/D,OAAO,KAAK,CAAC;YACf,CAAC;YACD,OAAO,IAAI,CAAC;QACd,CAAC;QACD,OAAO,IAAI,CAAC;IACd,CAAC;IAEO,WAAW,CAAC,KAAe,EAAE,KAAe,EAAE,IAAU;QAC9D,MAAM,IAAI,GAAG,IAAI,IAAI,CACnB,KAAK,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,EACzB,KAAK,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,EACzB,KAAK,CAAC,QAAQ,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAC1B,CAAC;QACF,MAAM,CAAC,GAAG,IAAI,CAAC,MAAM,CAAC;QACtB,MAAM,CAAC,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC;QAClD,MAAM,OAAO,GAAG,CAAC,IAAI,CAAC,GAAG,UAAU,IAAI,CAAC,IAAI,CAAC,GAAG,YAAY,CAAC;QAC7D,OAAO,OAAO,CAAC;IACjB,CAAC;CACF"}
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@@ -1,10 +1,10 @@
|
|
|
1
1
|
import { Vec3 } from '@chemistry/math';
|
|
2
|
-
import { Atom } from './
|
|
3
|
-
import { Bond } from './
|
|
4
|
-
import { CellAtom } from './
|
|
5
|
-
import { Marker } from './
|
|
6
|
-
import { MarkerContact } from './
|
|
7
|
-
import { UnitCell } from './
|
|
2
|
+
import { type Atom } from './atom.js';
|
|
3
|
+
import { type Bond } from './bond.js';
|
|
4
|
+
import { CellAtom } from './cell-atom.js';
|
|
5
|
+
import { type Marker } from './marker.js';
|
|
6
|
+
import { type MarkerContact } from './marker-contact.js';
|
|
7
|
+
import { type UnitCell } from './unit-cell.js';
|
|
8
8
|
export declare class Molecule3D {
|
|
9
9
|
title: string;
|
|
10
10
|
unitCell: UnitCell;
|
|
@@ -42,4 +42,4 @@ export declare class Molecule3D {
|
|
|
42
42
|
getRadius(): number;
|
|
43
43
|
extendByMarker(makers: Marker): void;
|
|
44
44
|
}
|
|
45
|
-
//# sourceMappingURL=
|
|
45
|
+
//# sourceMappingURL=molecule3d.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"molecule3d.d.ts","sourceRoot":"","sources":["../../src/molecule3d/molecule3d.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,IAAI,EAAE,MAAM,iBAAiB,CAAC;AACvC,OAAO,EAAE,KAAK,IAAI,EAAE,MAAM,WAAW,CAAC;AACtC,OAAO,EAAE,KAAK,IAAI,EAAE,MAAM,WAAW,CAAC;AACtC,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAG1C,OAAO,EAAE,KAAK,MAAM,EAAE,MAAM,aAAa,CAAC;AAC1C,OAAO,EAAE,KAAK,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAGzD,OAAO,EAAE,KAAK,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE/C,qBAAa,UAAU;IACd,KAAK,EAAE,MAAM,CAAC;IACd,QAAQ,EAAG,QAAQ,CAAC;IAEpB,SAAS,EAAE,QAAQ,EAAE,CAAC;IACtB,KAAK,EAAE,IAAI,EAAE,CAAC;IACd,KAAK,EAAE,IAAI,EAAE,CAAC;IACd,OAAO,EAAE,MAAM,EAAE,CAAC;IAClB,eAAe,EAAE,aAAa,EAAE,CAAC;IAExC,OAAO,CAAC,MAAM,CAAkB;IAChC,OAAO,CAAC,OAAO,CAAkB;IACjC,OAAO,CAAC,SAAS,CAAoB;IAErC,OAAO,CAAC,gBAAgB,CAAU;IAClC,OAAO,CAAC,MAAM,CAAc;IAC5B,OAAO,CAAC,MAAM,CAAS;;IAmBhB,IAAI,CAAC,KAAK,EAAE,MAAM;IAUlB,iBAAiB;IAOjB,KAAK;IAYL,WAAW,CAAC,IAAI,EAAE;QACvB,IAAI,EAAE,MAAM,CAAC;QACb,KAAK,EAAE,MAAM,CAAC;QACd,CAAC,EAAE,MAAM,CAAC;QACV,CAAC,EAAE,MAAM,CAAC;QACV,CAAC,EAAE,MAAM,CAAC;QACV,SAAS,EAAE,MAAM,CAAC;QAClB,IAAI,EAAE,MAAM,CAAC;QACb,QAAQ,EAAE,MAAM,CAAC;QACjB,KAAK,EAAE,MAAM,CAAC;KACf;IAuBM,OAAO,CAAC,IAAI,EAAE,IAAI;IAOzB;;OAEG;IACI,SAAS,IAAI,IAAI;IA2CjB,SAAS,IAAI,MAAM;IA4BnB,cAAc,CAAC,MAAM,EAAE,MAAM,GAAG,IAAI;CAG5C"}
|