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Module:Chem2

Permanently protected module
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This is an old revision of this page, as edited by Christian75 (talk | contribs) at 21:34, 11 June 2015 (update). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

local c = {} -- module's table

local am = {}  -- Elements with wiki links
am.H="[[Hydrogen|H]]"; am.He="[[Helium|He]]";
am.Li="[[Lithium|Li]]"; am.Be="[[Beryllium|Be]]"; am.B="[[Boron|B]]"; am.C="[[Carbon|C]]"; am.N="[[Nitrogen|N]]"; am.O="[[Oxygen|O]]"; am.F="[[Fluorine|F]]"; am.Ne="[[Neon|Ne]]"; am.Phen="[[phenanthroline|Phen]]";

am.Ph="[[phenyl|Ph]]";

local T_ELEM = 0   -- token types
local T_NUM = 1
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_REST = 7   -- Anything else like ☃
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 -- _{ ... }

function su(up, down) -- like template su
  if (down == "") then 
    return "<span style=\"display:inline-block; margin-bottom:-0.3em; vertical-align:0.8em; line-height:1.2em; font-size:70%; text-align:left;\">" .. up .. "<br /></span>";
  else
    return "<span style=\"display:inline-block; margin-bottom:-0.3em; vertical-align:-0.4em; line-height:1.2em; font-size:70%; text-align:left;\">" .. up .. "<br />" .. down .. "</span>";
  end
end

function DotIt()
  return '&nbsp;<span style="font-weight:bold;">&middot;</span>&#32;'
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('^[%d.]+', i)) then 
                 x = f:match('^[%d.]+', i); t = T_REST; i = i + x:len();   -- matching coefficient (need a space first)

        elseif i <= f:len() then
                              x = f:match('^%s+[%d.]+', i); t = T_REST;  -- matching coefficient (need a space first)
		if not x then x = f:match('^%s+[+]', i); t = T_REST; end       -- matching + (H2O + H2O)
		if not x then x = f:match('^%&%#[%w%d]+%;', i); t = T_REST; end       -- &#...;
		if not x then x = f:match('^%s+%<%-%>', i); t = T_ARROW_EQ; end       -- matching <->
		if not x then x = f:match('^%s+%-%>', i); t = T_ARROW_R; end       -- matching ->
		if not x then x = f:match('^%u%l*', i); t = T_ELEM; end        -- matching letters 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 -- \x
		if not x then x = f:match('^.', i); t = T_REST; 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 c.mm(frame)
   local f = frame.args[1]

   f = string.gsub(f, "–", "-")  -- replace – with -

   local config = frame.args

   local sumO = 0
   local formula = ''
   local t, x

   local link = config.link or ""
--   local auto = config.auto or ""

   if not (link == nil or link == '') then formula = formula .. "[[" .. link .. "|"; end   -- wiki link start [[link|
 
   for t, x in item(f) do 
      if     t == T_ELEM then if not 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 .. "<sup>"; if string.match(x, "%d+") then formula = formula .. string.match(x, "%d+"); end formula = formula .. string.gsub(string.match(x, "[%+-]"), "-", "–") .. "</sup>";  -- 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, haptacity
            elseif parameter == "-" then formula = formula .. "-"   -- -
          end
      elseif t == T_SPECIAL2 then  -- \y{x}
         parameter = string.sub(x, 2, 2) -- y fra \y{x} 
-- xxxxx missing: links with auto
          if parameter  == "h" then formula = formula .. "η<sup>" .. string.match(x, '%d+') .. "</sup>" --[haptacity]]
          elseif parameter == "i" then formula = formula .. su(string.match(x, '%d+'), "") -- [[isotope]]
          elseif parameter == "m" then formula = formula .. "μ<sup>" .. string.match(x, '%d+') .. "</sup>–"   -- 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%]]") .. "H<sub>2</sub>O";
        else
          formula = formula .. DotIt() .. "H<sub>2</sub>O";
        end  
 
-- not (auto == nil or auto == '') then formula = formula .. DotIt .. 
-- "[[Water of crystallization|H<sub>2</sub>O]]";
--            else
--              formula = formula .. 
-- DotIt .. "H<sub>2</sub>O";
---- xxx brug af sub til tal
--            end

      elseif t == T_UNDERSCORE  then formula = formula .. su("", string.match(x, "[^{^_][%w%W]*[^}]"))

      elseif t == T_ARROW_R then formula = formula .. " → "
      elseif t == T_ARROW_EQ then formula = formula .. " ⇌ "

      elseif t == T_REST  then formula = formula .. x;  -- resten, som ikke blev fanget af diverse regular expresions
     
      else error('unreachable - ???') end -- in fact, unreachable   (Skulle gerne være havnet i T_REST

end

   if      sumO > 0 then formula = formula .. "'<span style=\"display:none;font-size:100%\" class=\"error citation-comment\">   Too many (</span>'\";"
    elseif sumO < 0 then formula = formula .. "'<span style=\"display:none;font-size:100%\" class=\"error citation-comment\">   Too many )</span>'\";"
   end

   if not (link == nil or link == '') then formula = formula .. "]]"; end   -- wikilink closing ]]

   return formula
end



return c -- exports c.mm()
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