Chemical calculator: Difference between revisions

=={{header|Groovy}}==

{{trans|Java}}

<lang groovy>import java.util.regex.Pattern

class ChemicalCalculator {

private static final Map<String, Double> ATOMIC_MASS = new HashMap<>()

static {

ATOMIC_MASS.put("H", 1.008)

ATOMIC_MASS.put("He", 4.002602)

ATOMIC_MASS.put("Li", 6.94)

ATOMIC_MASS.put("Be", 9.0121831)

ATOMIC_MASS.put("B", 10.81)

ATOMIC_MASS.put("C", 12.011)

ATOMIC_MASS.put("N", 14.007)

ATOMIC_MASS.put("O", 15.999)

ATOMIC_MASS.put("F", 18.998403163)

ATOMIC_MASS.put("Ne", 20.1797)

ATOMIC_MASS.put("Na", 22.98976928)

ATOMIC_MASS.put("Mg", 24.305)

ATOMIC_MASS.put("Al", 26.9815385)

ATOMIC_MASS.put("Si", 28.085)

ATOMIC_MASS.put("P", 30.973761998)

ATOMIC_MASS.put("S", 32.06)

ATOMIC_MASS.put("Cl", 35.45)

ATOMIC_MASS.put("Ar", 39.948)

ATOMIC_MASS.put("K", 39.0983)

ATOMIC_MASS.put("Ca", 40.078)

ATOMIC_MASS.put("Sc", 44.955908)

ATOMIC_MASS.put("Ti", 47.867)

ATOMIC_MASS.put("V", 50.9415)

ATOMIC_MASS.put("Cr", 51.9961)

ATOMIC_MASS.put("Mn", 54.938044)

ATOMIC_MASS.put("Fe", 55.845)

ATOMIC_MASS.put("Co", 58.933194)

ATOMIC_MASS.put("Ni", 58.6934)

ATOMIC_MASS.put("Cu", 63.546)

ATOMIC_MASS.put("Zn", 65.38)

ATOMIC_MASS.put("Ga", 69.723)

ATOMIC_MASS.put("Ge", 72.630)

ATOMIC_MASS.put("As", 74.921595)

ATOMIC_MASS.put("Se", 78.971)

ATOMIC_MASS.put("Br", 79.904)

ATOMIC_MASS.put("Kr", 83.798)

ATOMIC_MASS.put("Rb", 85.4678)

ATOMIC_MASS.put("Sr", 87.62)

ATOMIC_MASS.put("Y", 88.90584)

ATOMIC_MASS.put("Zr", 91.224)

ATOMIC_MASS.put("Nb", 92.90637)

ATOMIC_MASS.put("Mo", 95.95)

ATOMIC_MASS.put("Ru", 101.07)

ATOMIC_MASS.put("Rh", 102.90550)

ATOMIC_MASS.put("Pd", 106.42)

ATOMIC_MASS.put("Ag", 107.8682)

ATOMIC_MASS.put("Cd", 112.414)

ATOMIC_MASS.put("In", 114.818)

ATOMIC_MASS.put("Sn", 118.710)

ATOMIC_MASS.put("Sb", 121.760)

ATOMIC_MASS.put("Te", 127.60)

ATOMIC_MASS.put("I", 126.90447)

ATOMIC_MASS.put("Xe", 131.293)

ATOMIC_MASS.put("Cs", 132.90545196)

ATOMIC_MASS.put("Ba", 137.327)

ATOMIC_MASS.put("La", 138.90547)

ATOMIC_MASS.put("Ce", 140.116)

ATOMIC_MASS.put("Pr", 140.90766)

ATOMIC_MASS.put("Nd", 144.242)

ATOMIC_MASS.put("Pm", 145.0)

ATOMIC_MASS.put("Sm", 150.36)

ATOMIC_MASS.put("Eu", 151.964)

ATOMIC_MASS.put("Gd", 157.25)

ATOMIC_MASS.put("Tb", 158.92535)

ATOMIC_MASS.put("Dy", 162.500)

ATOMIC_MASS.put("Ho", 164.93033)

ATOMIC_MASS.put("Er", 167.259)

ATOMIC_MASS.put("Tm", 168.93422)

ATOMIC_MASS.put("Yb", 173.054)

ATOMIC_MASS.put("Lu", 174.9668)

ATOMIC_MASS.put("Hf", 178.49)

ATOMIC_MASS.put("Ta", 180.94788)

ATOMIC_MASS.put("W", 183.84)

ATOMIC_MASS.put("Re", 186.207)

ATOMIC_MASS.put("Os", 190.23)

ATOMIC_MASS.put("Ir", 192.217)

ATOMIC_MASS.put("Pt", 195.084)

ATOMIC_MASS.put("Au", 196.966569)

ATOMIC_MASS.put("Hg", 200.592)

ATOMIC_MASS.put("Tl", 204.38)

ATOMIC_MASS.put("Pb", 207.2)

ATOMIC_MASS.put("Bi", 208.98040)

ATOMIC_MASS.put("Po", 209.0)

ATOMIC_MASS.put("At", 210.0)

ATOMIC_MASS.put("Rn", 222.0)

ATOMIC_MASS.put("Fr", 223.0)

ATOMIC_MASS.put("Ra", 226.0)

ATOMIC_MASS.put("Ac", 227.0)

ATOMIC_MASS.put("Th", 232.0377)

ATOMIC_MASS.put("Pa", 231.03588)

ATOMIC_MASS.put("U", 238.02891)

ATOMIC_MASS.put("Np", 237.0)

ATOMIC_MASS.put("Pu", 244.0)

ATOMIC_MASS.put("Am", 243.0)

ATOMIC_MASS.put("Cm", 247.0)

ATOMIC_MASS.put("Bk", 247.0)

ATOMIC_MASS.put("Cf", 251.0)

ATOMIC_MASS.put("Es", 252.0)

ATOMIC_MASS.put("Fm", 257.0)

ATOMIC_MASS.put("Uue", 315.0)

ATOMIC_MASS.put("Ubn", 299.0)

}

private static double evaluate(String s) {

String sym = s + "["

double sum = 0.0

StringBuilder symbol = new StringBuilder()

String number = ""

for (int i = 0; i < sym.length(); ++i) {

char c = sym.charAt(i)

if (('@' as char) <= c && c <= ('[' as char)) {

// @, A-Z, [

int n = 1

if (!number.isEmpty()) {

n = Integer.parseInt(number)

}

if (symbol.length() > 0) {

sum += ATOMIC_MASS.getOrDefault(symbol.toString(), 0.0) * n

}

if (c == '[' as char) {

break

}

symbol = new StringBuilder(String.valueOf(c))

number = ""

} else if (('a' as char) <= c && c <= ('z' as char)) {

symbol.append(c)

} else if (('0' as char) <= c && c <= ('9' as char)) {

number += c

} else {

throw new RuntimeException("Unexpected symbol " + c + " in molecule")

}

}

return sum

}

private static String replaceParens(String s) {

char letter = 'a'

String si = s

while (true) {

int start = si.indexOf('(')

if (start == -1) {

break

}

for (int i = start + 1; i < si.length(); ++i) {

if (si.charAt(i) == (')' as char)) {

String expr = si.substring(start + 1, i)

String symbol = "@" + letter

String pattern = Pattern.quote(si.substring(start, i + 1))

si = si.replaceFirst(pattern, symbol)

ATOMIC_MASS.put(symbol, evaluate(expr))

letter++

break

}

if (si.charAt(i) == ('(' as char)) {

start = i

}

}

}

return si

}

static void main(String[] args) {

List<String> molecules = [

"H", "H2", "H2O", "H2O2", "(HO)2", "Na2SO4", "C6H12",

"COOH(C(CH3)2)3CH3", "C6H4O2(OH)4", "C27H46O", "Uue"

]

for (String molecule : molecules) {

double mass = evaluate(replaceParens(molecule))

printf("%17s -> %7.3f\n", molecule, mass)

}

}

}</lang>

{{out}}

<pre> H -> 1.008

H2 -> 2.016

H2O -> 18.015

H2O2 -> 34.014

(HO)2 -> 34.014

Na2SO4 -> 142.036

C6H12 -> 84.162

COOH(C(CH3)2)3CH3 -> 186.295

C6H4O2(OH)4 -> 176.124

C27H46O -> 386.664

Uue -> 315.000</pre>