Chemical calculator: Difference between revisions
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Line 1,287:
Uue -> 315.000
</pre>
=={{header|Java}}==
{{trans|Kotlin}}
<lang java>import java.util.HashMap;
import java.util.List;
import java.util.Map;
import java.util.regex.Pattern;
public class ChemicalCalculator {
private static final Map<String, Double> atomicMass = new HashMap<>();
static {
atomicMass.put("H", 1.008);
atomicMass.put("He", 4.002602);
atomicMass.put("Li", 6.94);
atomicMass.put("Be", 9.0121831);
atomicMass.put("B", 10.81);
atomicMass.put("C", 12.011);
atomicMass.put("N", 14.007);
atomicMass.put("O", 15.999);
atomicMass.put("F", 18.998403163);
atomicMass.put("Ne", 20.1797);
atomicMass.put("Na", 22.98976928);
atomicMass.put("Mg", 24.305);
atomicMass.put("Al", 26.9815385);
atomicMass.put("Si", 28.085);
atomicMass.put("P", 30.973761998);
atomicMass.put("S", 32.06);
atomicMass.put("Cl", 35.45);
atomicMass.put("Ar", 39.948);
atomicMass.put("K", 39.0983);
atomicMass.put("Ca", 40.078);
atomicMass.put("Sc", 44.955908);
atomicMass.put("Ti", 47.867);
atomicMass.put("V", 50.9415);
atomicMass.put("Cr", 51.9961);
atomicMass.put("Mn", 54.938044);
atomicMass.put("Fe", 55.845);
atomicMass.put("Co", 58.933194);
atomicMass.put("Ni", 58.6934);
atomicMass.put("Cu", 63.546);
atomicMass.put("Zn", 65.38);
atomicMass.put("Ga", 69.723);
atomicMass.put("Ge", 72.630);
atomicMass.put("As", 74.921595);
atomicMass.put("Se", 78.971);
atomicMass.put("Br", 79.904);
atomicMass.put("Kr", 83.798);
atomicMass.put("Rb", 85.4678);
atomicMass.put("Sr", 87.62);
atomicMass.put("Y", 88.90584);
atomicMass.put("Zr", 91.224);
atomicMass.put("Nb", 92.90637);
atomicMass.put("Mo", 95.95);
atomicMass.put("Ru", 101.07);
atomicMass.put("Rh", 102.90550);
atomicMass.put("Pd", 106.42);
atomicMass.put("Ag", 107.8682);
atomicMass.put("Cd", 112.414);
atomicMass.put("In", 114.818);
atomicMass.put("Sn", 118.710);
atomicMass.put("Sb", 121.760);
atomicMass.put("Te", 127.60);
atomicMass.put("I", 126.90447);
atomicMass.put("Xe", 131.293);
atomicMass.put("Cs", 132.90545196);
atomicMass.put("Ba", 137.327);
atomicMass.put("La", 138.90547);
atomicMass.put("Ce", 140.116);
atomicMass.put("Pr", 140.90766);
atomicMass.put("Nd", 144.242);
atomicMass.put("Pm", 145.0);
atomicMass.put("Sm", 150.36);
atomicMass.put("Eu", 151.964);
atomicMass.put("Gd", 157.25);
atomicMass.put("Tb", 158.92535);
atomicMass.put("Dy", 162.500);
atomicMass.put("Ho", 164.93033);
atomicMass.put("Er", 167.259);
atomicMass.put("Tm", 168.93422);
atomicMass.put("Yb", 173.054);
atomicMass.put("Lu", 174.9668);
atomicMass.put("Hf", 178.49);
atomicMass.put("Ta", 180.94788);
atomicMass.put("W", 183.84);
atomicMass.put("Re", 186.207);
atomicMass.put("Os", 190.23);
atomicMass.put("Ir", 192.217);
atomicMass.put("Pt", 195.084);
atomicMass.put("Au", 196.966569);
atomicMass.put("Hg", 200.592);
atomicMass.put("Tl", 204.38);
atomicMass.put("Pb", 207.2);
atomicMass.put("Bi", 208.98040);
atomicMass.put("Po", 209.0);
atomicMass.put("At", 210.0);
atomicMass.put("Rn", 222.0);
atomicMass.put("Fr", 223.0);
atomicMass.put("Ra", 226.0);
atomicMass.put("Ac", 227.0);
atomicMass.put("Th", 232.0377);
atomicMass.put("Pa", 231.03588);
atomicMass.put("U", 238.02891);
atomicMass.put("Np", 237.0);
atomicMass.put("Pu", 244.0);
atomicMass.put("Am", 243.0);
atomicMass.put("Cm", 247.0);
atomicMass.put("Bk", 247.0);
atomicMass.put("Cf", 251.0);
atomicMass.put("Es", 252.0);
atomicMass.put("Fm", 257.0);
atomicMass.put("Uue", 315.0);
atomicMass.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 ('@' <= c && c <= '[') {
// @, A-Z, [
int n = 1;
if (!number.isEmpty()) {
n = Integer.parseInt(number);
}
if (symbol.length() > 0) {
sum += atomicMass.getOrDefault(symbol.toString(), 0.0) * n;
}
if (c == '[') {
break;
}
symbol = new StringBuilder(String.valueOf(c));
number = "";
} else if ('a' <= c && c <= 'z') {
symbol.append(c);
} else if ('0' <= c && c <= '9') {
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) == ')') {
String expr = si.substring(start + 1, i);
String symbol = "@" + letter;
String pattern = Pattern.quote(si.substring(start, i + 1));
si = si.replaceFirst(pattern, symbol);
atomicMass.put(symbol, evaluate(expr));
letter++;
break;
}
if (si.charAt(i) == '(') {
start = i;
}
}
}
return si;
}
public static void main(String[] args) {
List<String> molecules = List.of(
"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));
System.out.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>
=={{header|Julia}}==
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