Chemical calculator: Difference between revisions
→{{header|Nim}}
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}
}</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|Lua}}==
{{trans|C#}}
<lang lua>atomicMass = {
["H"] = 1.008,
["He"] = 4.002602,
["Li"] = 6.94,
["Be"] = 9.0121831,
["B"] = 10.81,
["C"] = 12.011,
["N"] = 14.007,
["O"] = 15.999,
["F"] = 18.998403163,
["Ne"] = 20.1797,
["Na"] = 22.98976928,
["Mg"] = 24.305,
["Al"] = 26.9815385,
["Si"] = 28.085,
["P"] = 30.973761998,
["S"] = 32.06,
["Cl"] = 35.45,
["Ar"] = 39.948,
["K"] = 39.0983,
["Ca"] = 40.078,
["Sc"] = 44.955908,
["Ti"] = 47.867,
["V"] = 50.9415,
["Cr"] = 51.9961,
["Mn"] = 54.938044,
["Fe"] = 55.845,
["Co"] = 58.933194,
["Ni"] = 58.6934,
["Cu"] = 63.546,
["Zn"] = 65.38,
["Ga"] = 69.723,
["Ge"] = 72.630,
["As"] = 74.921595,
["Se"] = 78.971,
["Br"] = 79.904,
["Kr"] = 83.798,
["Rb"] = 85.4678,
["Sr"] = 87.62,
["Y"] = 88.90584,
["Zr"] = 91.224,
["Nb"] = 92.90637,
["Mo"] = 95.95,
["Ru"] = 101.07,
["Rh"] = 102.90550,
["Pd"] = 106.42,
["Ag"] = 107.8682,
["Cd"] = 112.414,
["In"] = 114.818,
["Sn"] = 118.710,
["Sb"] = 121.760,
["Te"] = 127.60,
["I"] = 126.90447,
["Xe"] = 131.293,
["Cs"] = 132.90545196,
["Ba"] = 137.327,
["La"] = 138.90547,
["Ce"] = 140.116,
["Pr"] = 140.90766,
["Nd"] = 144.242,
["Pm"] = 145,
["Sm"] = 150.36,
["Eu"] = 151.964,
["Gd"] = 157.25,
["Tb"] = 158.92535,
["Dy"] = 162.500,
["Ho"] = 164.93033,
["Er"] = 167.259,
["Tm"] = 168.93422,
["Yb"] = 173.054,
["Lu"] = 174.9668,
["Hf"] = 178.49,
["Ta"] = 180.94788,
["W"] = 183.84,
["Re"] = 186.207,
["Os"] = 190.23,
["Ir"] = 192.217,
["Pt"] = 195.084,
["Au"] = 196.966569,
["Hg"] = 200.592,
["Tl"] = 204.38,
["Pb"] = 207.2,
["Bi"] = 208.98040,
["Po"] = 209,
["At"] = 210,
["Rn"] = 222,
["Fr"] = 223,
["Ra"] = 226,
["Ac"] = 227,
["Th"] = 232.0377,
["Pa"] = 231.03588,
["U"] = 238.02891,
["Np"] = 237,
["Pu"] = 244,
["Am"] = 243,
["Cm"] = 247,
["Bk"] = 247,
["Cf"] = 251,
["Es"] = 252,
["Fm"] = 257,
["Uue"] = 315,
["Ubn"] = 299,
}
function evaluate(s)
s = s .. '['
local sum = 0.0
local symbol = ""
local number = ""
for i=1,s:len() do
local c = s:sub(i,i)
if '@' <= c and c <= '[' then
local n = 1
if number ~= "" then
n = tonumber(number)
end
if symbol ~= "" then
sum = sum + atomicMass[symbol] * n
end
if c == '[' then
break
end
symbol = tostring(c)
number = ""
elseif 'a' <= c and c <= 'z' then
symbol = symbol .. c
elseif '0' <= c and c <= '9' then
number = number .. c
else
error("Unexpected symbol `"..c.."` in molecule")
end
end
return sum
end
function replaceFirst(text, search, replacement)
local pattern = search:gsub('%W', '%%%1')
return string.gsub(text, pattern, replacement, 1)
end
function replaceParens(s)
local letter = "s"
while true do
local start = string.find(s, "(", 1, true)
if start == nil then
break
end
for i=start,s:len() do
local c = s:sub(i,i)
if c == ')' then
local expr = s:sub(start + 1, i - 1)
local symbol = '@' .. letter
local search = s:sub(start, i)
s = replaceFirst(s, search, symbol)
atomicMass[symbol] = evaluate(expr)
letter = string.char(string.byte(letter) + 1)
break
end
if c == '(' then
start = i
end
end
end
return s
end
local molecules = {
"H", "H2", "H2O", "H2O2", "(HO)2", "Na2SO4", "C6H12",
"COOH(C(CH3)2)3CH3", "C6H4O2(OH)4", "C27H46O", "Uue"
}
for i,molecule in pairs(molecules) do
local mass = evaluate(replaceParens(molecule))
print(string.format("%17s -> %7.3f", molecule, mass))
end</lang>
{{out}}
<pre> H -> 1.008
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