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lines changed Original file line number Diff line number Diff line change @@ -42,6 +42,22 @@ export function methodDataContextMixin(item) {
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get isMethodDataUpdated ( ) {
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return Boolean ( this . extraData && this . extraData . methodDataHash !== this . methodDataHash ) ;
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} ,
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+
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+ /**
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+ * Returns array of orbital names: [{element: "Si", valenceOrbitals: ["3s", "3p"]}]
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+ */
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+ get valenceOrbitals ( ) {
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+ const pseudoData = this . methodData ?. pseudo || [ ] ;
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+ return pseudoData . map ( ( data ) => {
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+ const valenceConfiguration = data ?. valenceConfiguration || [ ] ;
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+ return {
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+ element : data . element ,
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+ valenceOrbitals : valenceConfiguration . map ( ( entry ) =>
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+ entry ?. orbitalName ?. toLowerCase ( ) ,
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+ ) ,
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+ } ;
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+ } ) ;
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+ } ,
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} ;
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Object . defineProperties ( item , Object . getOwnPropertyDescriptors ( properties ) ) ;
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