mc-react-structure-visualizer 0.6.0 → 0.6.1
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- package/dist/main.js +2 -12
- package/package.json +1 -1
package/dist/main.js
CHANGED
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@@ -24386,22 +24386,12 @@ const covalentRadii = {
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24386
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function mod(X, L) {
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24387
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return (X % L + L) % L;
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}
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24389
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-
const overrideBondLengths = {
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24390
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// uuid = "aaea1e0f-337c-453f-a23a-acc06ddc93c9"; // BaTiO3 mc3d-46554/pbe
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24391
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Ba: 0.92 * covalentRadii.Ba,
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24392
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Ti: 0.94 * covalentRadii.Ti,
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24393
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// uuid = "a490b0ff-012a-44c8-a48a-f734dc634b3c"; // EuI4La mc3d-34858/pbe
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24394
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I: 1.05 * covalentRadii.I,
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24395
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Eu: 1.05 * covalentRadii.Eu
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24396
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};
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function setCustomBondLengths() {
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function X(L, f) {
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24399
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-
_3DmolExports.setBondLength(L, f
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24391
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+
_3DmolExports.setBondLength(L, f);
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}
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Object.keys(covalentRadii).forEach((L) => {
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X(L, covalentRadii[L]);
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24403
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-
}), Object.keys(overrideBondLengths).forEach((L) => {
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24404
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X(L, overrideBondLengths[L]);
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});
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}
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class Visualizer3dmol extends React.Component {
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@@ -24482,7 +24472,7 @@ class Visualizer3dmol extends React.Component {
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let L = {
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sphere: { scale: 0.3, colorscheme: "Jmol" }
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};
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24485
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-
this.props.viewerParams.vdwRadius && (L.sphere.scale = 1), this.props.viewerParams.bonds && (L.stick = { radius: 0.
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+
this.props.viewerParams.vdwRadius && (L.sphere.scale = 1), this.props.viewerParams.bonds && (L.stick = { radius: 0.15, colorscheme: "Jmol" }), this.viewer.setStyle(L), this.viewer.addUnitCell(this.model), this.model.assignBonds(), this.viewer.removeAllLabels(), this.props.viewerParams.atomLabels && this.model.atoms.forEach((f) => {
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this.viewer.addLabel(
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f.elem,
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{
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