Chemical calculator
my %ATOMIC_MASS =
H => 1.008 , Fe => 55.845 , Te => 127.60 , Ir => 192.217 ,
He => 4.002602 , Co => 58.933194 , I => 126.90447 , Pt => 195.084 ,
Li => 6.94 , Ni => 58.6934 , Xe => 131.293 , Au => 196.966569 ,
Be => 9.0121831 , Cu => 63.546 , Cs => 132.90545196 , Hg => 200.592 ,
B => 10.81 , Zn => 65.38 , Ba => 137.327 , Tl => 204.38 ,
C => 12.011 , Ga => 69.723 , La => 138.90547 , Pb => 207.2 ,
N => 14.007 , Ge => 72.630 , Ce => 140.116 , Bi => 208.98040 ,
O => 15.999 , As => 74.921595 , Pr => 140.90766 , Po => 209 ,
F => 18.998403163 , Se => 78.971 , Nd => 144.242 , At => 210 ,
Ne => 20.1797 , Br => 79.904 , Pm => 145 , Rn => 222 ,
Na => 22.98976928 , Kr => 83.798 , Sm => 150.36 , Fr => 223 ,
Mg => 24.305 , Rb => 85.4678 , Eu => 151.964 , Ra => 226 ,
Al => 26.9815385 , Sr => 87.62 , Gd => 157.25 , Ac => 227 ,
Si => 28.085 , Y => 88.90584 , Tb => 158.92535 , Th => 232.0377 ,
P => 30.973761998 , Zr => 91.224 , Dy => 162.500 , Pa => 231.03588 ,
S => 32.06 , Nb => 92.90637 , Ho => 164.93033 , U => 238.02891 ,
Cl => 35.45 , Mo => 95.95 , Er => 167.259 , Np => 237 ,
Ar => 39.948 , Ru => 101.07 , Tm => 168.93422 , Pu => 244 ,
K => 39.0983 , Rh => 102.90550 , Yb => 173.054 , Am => 243 ,
Ca => 40.078 , Pd => 106.42 , Lu => 174.9668 , Cm => 247 ,
Sc => 44.955908 , Ag => 107.8682 , Hf => 178.49 , Bk => 247 ,
Ti => 47.867 , Cd => 112.414 , Ta => 180.94788 , Cf => 251 ,
V => 50.9415 , In => 114.818 , W => 183.84 , Es => 252 ,
Cr => 51.9961 , Sn => 118.710 , Re => 186.207 , Fm => 257 ,
Mn => 54.938044 , Sb => 121.760 , Os => 190.23 ,
;
grammar Chemical_formula {
my @ATOMIC_SYMBOLS = %ATOMIC_MASS.keys.sort;
rule TOP { ^ (<lparen>|<rparen>|<element>)+ $ }
token quantity { \d+ }
token lparen { '(' }
token rparen { ')' <quantity>? }
token element { $<e>=[@ATOMIC_SYMBOLS] <quantity>? }
}
class Chemical_formula_actions {
has @stack = 0;
method TOP ($/) { $/.make: @stack }
method lparen ($/) { push @stack, 0 }
method rparen ($/) { my $m = @stack.pop;
@stack[*-1] += ($<quantity> // 1) * $m }
method element ($/) { @stack[*-1] += ($<quantity> // 1) * %ATOMIC_MASS{~$<e>} }
}
sub molar_mass ( Str $formula --> Real ) {
Chemical_formula.parse( $formula, :actions(Chemical_formula_actions.new) )
orelse die "Chemical formula not recognized: '$formula'";
return $/.made.[0];
}
say .&molar_mass.fmt('%7.3f '), $_ for <H H2 H2O Na2SO4 C6H12 COOH(C(CH3)2)3CH3>;
Output:
1.008 H
2.016 H2
18.015 H2O
142.036 Na2SO4
84.162 C6H12
186.295 COOH(C(CH3)2)3CH3
Last updated