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20 lines
531 B
JavaScript
20 lines
531 B
JavaScript
if (!Geometry.prototype.parseMetadata) {
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Geometry.prototype.parseMetadata = function () {
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const Ametadata = this.comment.split(",")
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const molecule = Ametadata[0]
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const stateRegExp = /^\^(\d+)(.+)$/
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const m = Ametadata[1].match(stateRegExp)
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const mul = parseInt(m[1],10)
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const sym = m[2]
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var meth = null
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if (Ametadata.length>2) {
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meth = new method(Ametadata[2],Ametadata[3])
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}
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return {
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molecule:molecule,
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multiplicity:mul,
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symmetry:sym,
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method:meth
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}
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}
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} |