Module:Chem2
local getArgs = require('Module:Arguments').getArgs local p = {} -- module's table
local am = {} -- Elements with wiki links am.H="H";am.He="He"; am.Li="Li";am.Be="Be";am.B="B";am.C="C";am.N="N";am.O="O";am.F="F";am.Ne="Ne"; am.Na="Na";am.Mg="Mg";am.Al="Al";am.Si="Si";am.P="P";am.S="S";am.Cl="Cl";am.Ar="Ar"; am.K="K";am.Ca="Ca";am.Sc="Sc";am.Ti="Ti";am.V="V";am.Cr="Cr";am.Mn="Mn";am.Fe="Fe";am.Co="Co";am.Ni="Ni";am.Cu="Cu";am.Zn="Zn";am.Ga="Ga";am.Ge="Ge";am.As="As";am.Se="Se";am.Br="Br";am.Kr="Kr";am.Rb="Rb"; am.Sr="Sr";am.Y="Y";am.Zr="Zr";am.Nb="Nb";am.Mo="Mo";am.Tc="Tc";am.Ru="Ru";am.Rh="Rh";am.Pd="Pd";am.Ag="Ag";am.Cd="Cd";am.In="In";am.Sn="Sn";am.Sb="Sb";am.Te="Te";am.I="I";am.Xe="Xe"; am.Cs="Cs";am.Ba="Ba";am.La="La";am.Ce="Ce";am.Pr="Pr";am.Nd="Nd";am.Pm="Pm";am.Sm="Sm";am.Eu="Eu";am.Gd="Gd";am.Tb="Tb";am.Dy="Dy";am.Ho="Ho";am.Er="Er";am.Tm="Tm";am.Yb="Yb";am.Lu="Lu";am.Hf="Hf";am.Ta="Ta";am.W="W";am.Re="Re";am.Os="Os";am.Ir="Ir";am.Pt="Pt";am.Au="Au";am.Hg="Hg";am.Tl="Tl";am.Pb="Pb";am.Bi="Bi";am.Po="Po";am.At="At";am.Rn="Rn"; am.Fr="Fr";am.Ra="Ra";am.Ac="Ac";am.Th="Th";am.Pa="Pa";am.U="U";am.Np="Np";am.Pu="Pu";am.Am="Am";am.Cm="Cm";am.Bk="Bk";am.Cf="Cf";am.Es="Es";am.Fm="Fm";am.Md="Md";am.No="No";am.Lr="Lr";am.Rf="Rf";am.Db="Db";am.Sg="Sg";am.Bh="Bh";am.Hs="Hs";am.Mt="Mt";am.Ds="Ds";am.Rg="Rg";am.Cp="Cp";am.Nh="Nh";am.Fl="Fl";am.Mc="Mc";am.Lv="Lv";am.Ts="Ts";am.Og="Og";
local T_ELEM = 0 -- token types local T_NUM = 1 -- number local T_OPEN = 2 -- open '(' local T_CLOSE = 3 -- close ')' local T_PM_CHARGE = 4 -- + or – local T_WATER = 6 -- .xH2O x number local T_CRYSTAL = 9 -- .x local T_CHARGE = 8 -- charge (x+), (x-) local T_SUF_CHARGE = 10 -- suffix and charge e.g. 2+ from H2+ local T_SUF_CHARGE2 = 12 -- suffix and (charge) e.g. 2(2+) from He2(2+) local T_SPECIAL = 14 -- starting with \ e.g. \d for double bond (=) local T_SPECIAL2 = 16 -- starting with \y{x} e.g. \i{12} for isotope with mass number 12 local T_ARROW_R = 17 -- match: -> local T_ARROW_EQ = 18 -- match: <-> local T_UNDERSCORE = 19 -- _{ ... } local T_CARET = 20 -- ^{ ... } local T_NOCHANGE = 30 -- Anything else like ☃
function su(up, down) -- like template:su
if (down == "") then return "" .. up .. "
"; else return "" .. up .. "
" .. down .. ""; end
end
function DotIt()
return ' · '
end
function item(f) -- (iterator) returns one token (type, value) at a time from the formula 'f'
local i = 1 local first = "true";
return function ()
local t, x = nil, nil
if (first == "true" and f:match('^[0-9]', i)) then
x = f:match('^[%d.]+', i); t = T_NOCHANGE; i = i + x:len(); -- matching coefficient (need a space first)
elseif i <= f:len() then
x = f:match('^%s+[%d.]+', i); t = T_NOCHANGE; -- matching coefficient (need a space first)
if not x then x = f:match('^%s[+]', i); t = T_NOCHANGE; end -- matching + (H2O + H2O) if not x then x = f:match('^%&%#[%w%d]+%;', i); t = T_NOCHANGE; end -- &#...; if not x then x = f:match('^%<%-%>', i); t = T_ARROW_EQ; end -- matching <-> if not x then x = f:match('^%-%>', i); t = T_ARROW_R; end -- matching -> if not x then x = f:match('^%u%l*', i); t = T_ELEM; end -- matching symbols like Aaaaa if not x then x = f:match('^%d+[+-]', i); t = T_SUF_CHARGE; end -- matching x+, x- if not x then x = f:match('^%d+%(%d*[+-]%)', i); t = T_SUF_CHARGE2; end -- matching x(y+/-), x(+/-) if not x then x = f:match('^%(%d*[+-]%)', i); t = T_CHARGE; end -- matching (x+) (xx+), (x-) (xx-) if not x then x = f:match('^[%d.]+', i); t = T_NUM; end -- matching number if not x then x = f:match('^[(|{|%[]', i); t = T_OPEN; end -- matching ({[ if not x then x = f:match('^[)|}|%]]', i); t = T_CLOSE; end -- matching )}] if not x then x = f:match('^[+-]', i); t = T_PM_CHARGE; end -- matching + or - if not x then x = f:match('^%*[%d.]*H2O', i); t = T_WATER; end -- Crystal water if not x then x = f:match('^%*[%d.]*', i); t = T_CRYSTAL; end -- Crystal if not x then x = f:match('^[\\].{%d+}', i); t = T_SPECIAL2; end -- \y{x} if not x then x = f:match('^[\\].', i); t = T_SPECIAL; end -- \x if not x then x = f:match('^_{[^}]*}', i); t = T_UNDERSCORE; end -- _{...} if not x then x = f:match('^\^{[^}]*}', i); t = T_CARET; end -- ^{...} if not x then x = f:match('^.', i); t = T_NOCHANGE; end --the rest - one by one if x then i = i + x:len(); else i = i + 999; error("Invalid character in formula!!!!!!! : "..f) end end
first = "false"
return t, x end
end
function p._chem(args)
local f = args[1] or
f = string.gsub(f, "–", "-") -- replace – with - (hyphen not ndash) f = string.gsub(f, "−", "-") -- replace – with - (hyphen not minus sign)
local sumO = 0 local formula = local t, x
local link = args['link'] or "" local auto = args['auto'] or ""
if not (link == ) then formula = formula .. "[[" .. link .. "|"; end -- wikilink start [[link|
for t, x in item(f) do
if t == T_ELEM then if (auto == ) then formula = formula .. x elseif am[x] then formula = formula .. am[x]; am[x] = x else formula = formula .. x end
elseif t == T_COEFFICIENT then formula = formula .. x
elseif t == T_NUM then formula = formula .. su("", x);
elseif t == T_OPEN then formula = formula .. x; sumO = sumO + 1; -- ( {
elseif t == T_CLOSE then formula = formula .. x; sumO = sumO -1; -- ) }
elseif t == T_PM_CHARGE then formula = formula .. su(string.gsub(x, "-", "−"), "");
elseif t == T_SUF_CHARGE then
formula = formula .. su(string.gsub(string.match(x, "[+-]"), "-", "−"), string.match(x, "%d+"), "");
elseif t == T_SUF_CHARGE2 then
formula = formula .. su(string.sub(string.gsub(string.match(x, "%(%d*[+-]"), "-", "−"), 2, -1), string.match(x, "%d+"))
elseif t == T_CHARGE then formula = formula .. ""; if string.match(x, "%d+") then formula = formula .. string.match(x, "%d+"); end formula = formula .. string.gsub(string.match(x, "[%+-]"), "-", "−") .. ""; -- can not concatenat a nil value from string.match(x, "%d+");
elseif t == T_CRYSTAL then formula = formula .. DotIt() .. string.gsub( x, "*", ' ', 1 );
elseif t == T_SPECIAL then
parameter = string.sub(x, 2, 2) -- x fra \x
if parameter == "s" then formula = formula .. "–" -- single bond
elseif parameter == "d" then formula = formula .. "=" -- double bond
elseif parameter == "t" then formula = formula .. "≡" -- tripple bond
elseif parameter == "q" then formula = formula .. "≣" -- Quadruple bond
elseif parameter == "h" then formula = formula .. "η" -- η, hapticity
elseif parameter == "*" then formula = formula .. "*" -- *, normal *
elseif parameter == "-" then formula = formula .. "-" -- -
elseif parameter == "\\" then formula = formula .. "\\" -- \
elseif parameter == "\'" then formula = formula .. "'" -- html-code for '
end
elseif t == T_SPECIAL2 then -- \y{x}
parameter = string.sub(x, 2, 2) -- y fra \y{x}
if parameter == "h" then --Hapticity
if (auto == ) then formula = formula .. "η" .. string.match(x, '%d+') .. "−"
else
formula = formula .. "η" .. string.match(x, '%d+') .. "−"
end
elseif parameter == "m" then formula = formula .. "μ" .. string.match(x, '%d+') .. "−" -- mu (bridging ligand)
end
elseif t == T_WATER then
if string.match(x, "^%*[%d.]") then
formula = formula .. DotIt() .. string.match(x, "%f[%.%d]%d*%.?%d*%f[^%.%d%]]") .. "H2O";
else
formula = formula .. DotIt() .. "H2O";
end
elseif t == T_UNDERSCORE then formula = formula .. su("", string.sub(x,3,-2)) -- x contains _{string}
elseif t == T_CARET then formula = formula .. su(string.sub(x,3,-2), "") -- x contains ^{string}
elseif t == T_ARROW_R then formula = formula .. " → "
elseif t == T_ARROW_EQ then formula = formula .. " ⇌ "
elseif t == T_NOCHANGE then formula = formula .. x; -- The rest - everything which isn't captured by the regular expresions. E.g. wikilinks and pipes
else error('unreachable - ???') end -- in fact, unreachable
end
if not (link == nil or link == ) then formula = formula .. "]]"; end -- wikilink closing ]]
return '' .. formula .. ''
end
function p.chem(frame) local args = getArgs(frame) return p._chem(args) end
return p
