@kitware/vtk.js
Version:
Visualization Toolkit for the Web
19 lines (16 loc) • 443 B
JavaScript
var preProcessing = require('../chemistry/post-process.js');
const valueToExtract = ['atomicNumber'];
module.exports = function (xml) {
var atoms = {};
var fullJSON = preProcessing(xml);
fullJSON.atoms.forEach(function (a) {
var values = valueToExtract.map(function (key) {
return a[key];
});
// Remove atoms that have no radiusCovalent
if (values[0]) {
atoms[a.id] = values;
}
});
return atoms;
};