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Copy pathNumber of Atoms.js
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Number of Atoms.js
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var countOfAtoms = function(formula) {
function getElementCount(flatFormula) {
const reElementCount = /([A-Z][a-z]*)(\d*)/g;
let matches = flatFormula.matchAll(reElementCount);
let output = new Map();
for (let [match, element, count] of matches) {
count = count === '' ? 1 : +count;
if (output.has(element)) {
output.set(element, output.get(element) + count);
} else {
output.set(element, count);
}
}
return output;
}
function flattenElementCount(elCountMap) {
let arr = [...elCountMap.entries()].sort();
return arr.reduce( (str, item) => {
let num = item[1] === 1 ? '' : item[1];
return str + item[0] + num;
}, '' );
}
function unnest(fullMatch, innerFormula, multiplier) {
let elementCount = getElementCount(innerFormula);
multiplier = multiplier === '' ? 1 : +multiplier;
for (let [element, count] of elementCount) {
elementCount.set(element, elementCount.get(element) * multiplier);
}
return flattenElementCount(elementCount);
}
function flattenFormula(formula) {
const reNested = /\((\w+)\)(\d*)/g;
while (reNested.test(formula)) {
formula = formula.replaceAll(reNested, unnest);
}
return formula;
}
let flatFormula = flattenFormula(formula);
return flattenElementCount(getElementCount(flatFormula));
};