Difference between revisions of "Module:Chem2"

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blackwiki>Christian75
(Created page with 'local c = {} -- module's table local am = {} -- Elements with wiki links am.H="H"; am.He="He"; am.Li="Li"; am.Be="[[Beryll...')
 
blackwiki>Christian75
Line 1: Line 1:
 +
--Husk nyt navn, ikke mm
 +
 
local c = {} -- module's table
 
local c = {} -- module's table
  
Line 4: Line 6:
 
local am = {}  -- Elements with wiki links
 
local am = {}  -- Elements with wiki links
 
am.H="[[Hydrogen|H]]"; am.He="[[Helium|He]]";
 
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.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]]";
 
am.Ph="[[phenyl|Ph]]";
Line 10: Line 12:
 
local T_ELEM = 0  -- token types
 
local T_ELEM = 0  -- token types
 
local T_NUM = 1
 
local T_NUM = 1
local T_O = 2      -- open '('
+
local T_OPEN = 2      -- open '('
local T_C = 3      -- close ')'
+
local T_CLOSE = 3      -- close ')'
 
local T_PM = 4    -- + or –
 
local T_PM = 4    -- + or –
local T_MINUS = 5  -- -
 
 
local T_WATER = 6  -- .xH2O x number
 
local T_WATER = 6  -- .xH2O x number
 
local T_CRYSTAL = 9 -- .x
 
local T_CRYSTAL = 9 -- .x
local T_REST = 7  -- small letters and random crap like ☃
+
local T_REST = 7  -- Anything else like ☃
local T_CHARGE = 8 -- charge (x+), (x-), (x–)
+
local T_CHARGE = 8 -- charge (x+), (x-)
local T_SUF_CHARGE = 10 -- suffix and charge
+
local T_SUF_CHARGE = 10 -- suffix and charge e.g. 2+ from H2+
local T_SUF_CHARGE2 = 12 -- suffix and (charge)
+
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_SPECIAL = 14  -- starting with \ e.g. \d for double bond (=)
local T_SPECIAL2 = 16  -- 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_UNDERSCORE = 17 -- _{ ... }
  
function su(a, b) -- like template su
+
function su(up, down) -- like template su
  return "<span style=\"display:inline-block; margin-bottom:-0.3em; vertical-align:-0.4em; line-height:1.2em; font-size:70%; text-align:left;\">" .. a .. "<br />" .. b .. "</span>";
+
  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
 
end
  
Line 34: Line 44:
 
if i <= f:len() then
 
if i <= f:len() then
 
                               x = f:match('^%u%l*', i); t = T_ELEM;        -- matching letters like Aaaaa
 
                               x = f:match('^%u%l*', i); t = T_ELEM;        -- 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+[+-]', 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(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_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('^[%d.]+', i); t = T_NUM; end        -- matching number
if not x then x = f:match('^[(|{|%[]', i); t = T_O; end    -- matching ({[
+
if not x then x = f:match('^[(|{|%[]', i); t = T_OPEN; end    -- matching ({[
if not x then x = f:match('^[)|}|%]]', i); t = T_C; 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; end        -- matching '+', xxxxx væk: '–' (long –)
+
if not x then x = f:match('^[+-]', i); t = T_PM; end        -- matching '+' or '-'
                if not x then x = f:match('^-', i); t = T_MINUS; end        -- matching - (short)
+
if not x then x = f:match('^%*[%d.]*H2O', i); t = T_WATER; end -- Crystal water
                if not x then x = f:match('^', i); t = T_MINUS; end       -- matching - (long) - stange output
+
if not x then x = f:match('^%*[%d.]*', i); t = T_CRYSTAL; end -- Crystal
                if not x then x = f:match('^%.[0-9]*H2O', i); t = T_WATER; end -- Crystal water
+
if not x then x = f:match('^[\\].{%d+}', i); t = T_SPECIAL2; end -- \y{x}
                if not x then x = f:match('^%.[0-9]+', i); t = T_CRYSTAL; end -- Crystal
+
if not x then x = f:match('^[\\].', i); t = T_SPECIAL; end -- \x
                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_UNDERSCORE; end -- \x
                if not x then x = f:match('^\.', i); t = T_SPECIAL; end -- \x
 
 
if not x then x = f:match('^.', i); t = T_REST; end  --Resten en ad gangen
 
if not x then x = f:match('^.', i); t = T_REST; end  --Resten en ad gangen
 
if x then i = i + x:len(); else i = i + 999; error("Invalid character in formula!!!!!!! : "..f) end
 
if x then i = i + x:len(); else i = i + 999; error("Invalid character in formula!!!!!!! : "..f) end
Line 54: Line 63:
 
   end
 
   end
  
function c.mm(frame) -- molar mass of the formula 'f'
+
function c.mm(frame)
 
   local f = frame.args[1]
 
   local f = frame.args[1]
 +
 +
  f = string.gsub(f, "–", "-")  -- replace – with -
 +
 
   local config = frame.args
 
   local config = frame.args
  
  local link = frame.args['link']
+
-- Tror ikke det bliver brugt, der er link nedenunder her og auto virker vist ikke
 +
--  local link = frame.args['link']
 +
--  local auto = frame.args['auto']
  
  local sum, cur = {0}, {0}  -- stacks to handle '()' ; 'cur' awaits to be multiplied (or not)
 
 
   local sumO = 0
 
   local sumO = 0
   local formel = ''
+
   local formula = ''
 
   local t, x
 
   local t, x
  
 
   local link = config.link or ""
 
   local link = config.link or ""
 +
--  local auto = config.auto or ""
  
   if not (link == nil or link == '') then formel = formel .. "[[" .. link .. "|"; end  -- wikilink start [[link|
+
   if not (link == nil or link == '') then formula = formula .. "[[" .. link .. "|"; end  -- wikilink start [[link|
 
   
 
   
 
   for t, x in item(f) do  
 
   for t, x in item(f) do  
            if    t == T_ELEM then if not config.auto then formel = formel .. x elseif am[x] then formel = formel .. am[x]; am[x] = x;
+
      if    t == T_ELEM then if not auto then formula = formula .. x elseif am[x] then formula = formula .. am[x]; am[x] = x;
                      else formel = formel .. x end
+
                    else formula = formula .. x  
 +
                    end
 +
      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    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_REST  then formel = formel .. x;
+
      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_NUM  then formel = formel .. "<span style=\"display:inline-block; margin-bottom:-0.3em; vertical-align:-0.4em; line-height:1.2em; font-size:70%; text-align:right;\">" .. x .."</span>";    -- su|w=70%|a=r|p={{{1}}}|b={{{2}}}}}
 
elseif t == T_O      then formel = formel .. x; sumO = sumO + 1;        -- ( {
 
elseif t == T_C      then formel = formel .. x; sumO = sumO -1;        -- ) }
 
--        elseif t == T_PM      then formel = formel .. "aaaa" ."<sup>" .. string.gsub(x, "-", "–") .. "</sup>";
 
        elseif t == T_PM      then formel = formel .. "<sup>" .. x .. "</sup>";
 
        elseif t == T_MINUS  then formel = formel .. "<sup>–</sup>";
 
  
      elseif t == T_SUF_CHARGE then  
+
      elseif t == T_CRYSTAL then formula = formula .. DotIt() .. string.gsub( x, "*", ' ', 1 );
        formel = formel .. su(string.gsub(string.match(x, "[%+|%-|–]"), "-", "–"), string.match(x, "%d+"));
 
  
---x
+
      elseif t == T_SPECIAL then
      elseif t == T_SUF_CHARGE2 then  
+
          parameter = string.sub(x, 2, 2) -- x fra \x 
          formel = formel .. su(string.sub(string.gsub(string.match(x, "%(%d*[+|%-]"), "-", "–"), 2, -1), string.match(x, "%d+"))
+
          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
 +
        parameter = string.sub(x, 2, 2) -- y fra \y{x}
 +
-- xxxxx mangler links med 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_CHARGE then formel = formel .. "<sup>"; if string.match(x, "%d+") then formel = formel .. string.match(x, "%d+"); end formel = formel .. string.gsub(string.match(x, "[%-|%–|%+]"), "-", "–") .. "</sup>";  -- can not concatenat a nil value from string.match(x, "%d+");
+
      elseif t == T_UNDERSCORE  then formula = formula .. su("", string.match(x, "[^{^_][%w%W]*[^}]"))
  
        elseif t == T_WATER then formel = formel .. '&nbsp;<span style="font-weight:bold;">&middot;</span>&#32;' .. "[[Water of crystallization|H<sub>2</sub>O]]";
+
      elseif t == T_REST  then formula = formula .. x; -- resten, som ikke blev fanget af diverse regular expresions
        elseif t == T_CRYSTAL then formel = formel .. '&nbsp;<span style="font-weight:bold;">&middot;</span>&#32;' .. string.gsub( x, ".", ' ', 1 );
+
   
 +
      else error('unreachable - ???') end -- in fact, unreachable  (Skulle gerne være havnet i T_REST
  
        elseif t == T_SPECIAL then
+
end
          if x == "\s" then formel = formel .. "–"      -- single bond
 
          elseif x == "\d" then formel = formel .. "="  -- double bond
 
          elseif x == "\t" then formel = formel .. "a≡" end  -- double bond
 
 
 
        elseif t == T_SPECIAL2 then    -- \y{x}
 
          if string.sub(x, 1, 1) == "h" then formel = formel .. "η<sup>" .. string.match(x, '%d+') .. "</sup>"
 
 
 
  else formel = formel .. x end
 
         
 
else error('unreachable - ???') end -- in fact, unreachable
 
  end
 
  
   if      sumO > 0 then formel = formel .. "'<span style=\"display:none;font-size:100%\" class=\"error citation-comment\">  Too many (</span>'\";"
+
   if      sumO > 0 then formula = formula .. "'<span style=\"display:none;font-size:100%\" class=\"error citation-comment\">  Too many (</span>'\";"
     elseif sumO < 0 then formel = formel .. "'<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
 
   end
  
   if not (link == nil or link == '') then formel = formel .. "]]"; end  -- wikilink closing ]]
+
   if not (link == nil or link == '') then formula = formula .. "]]"; end  -- wikilink closing ]]
  
   return formel
+
   return formula
 
end
 
end
  

Revision as of 21:50, 10 June 2015

This module implements {{chem2}}. Please see its documentation for details.


--Husk nyt navn, ikke mm

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 = 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_UNDERSCORE = 17 -- _{ ... }

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
   return function ()
	local t, x = nil, nil
	if i <= f:len() then
                              x = f:match('^%u%l*', i); t = T_ELEM;         -- 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; 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  --Resten en ad gangen
		if x then i = i + x:len(); else i = i + 999; error("Invalid character in formula!!!!!!! : "..f) end
		end
	return t, x
	end
   end

function c.mm(frame)
   local f = frame.args[1]

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

   local config = frame.args

-- Tror ikke det bliver brugt, der er link nedenunder her og auto virker vist ikke
--   local link = frame.args['link']
--   local auto = frame.args['auto']

   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   -- wikilink 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_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    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 
         parameter = string.sub(x, 2, 2) -- y fra \y{x} 
-- xxxxx mangler links med 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_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()