Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
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end | end | ||
− | function | + | function mass(str) |
local t = toFormula({string.match(str,FORMULA_PAT)}) | local t = toFormula({string.match(str,FORMULA_PAT)}) | ||
ret = 0; | ret = 0; | ||
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else return tonumber(string.sub(str,2)); | else return tonumber(string.sub(str,2)); | ||
end | end | ||
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end | end | ||
function diff(str1, str2) | function diff(str1, str2) | ||
---computes str1 - str2. If negative, returns nil.--- | ---computes str1 - str2. If negative, returns nil.--- | ||
+ | local t1 = {string.match(str1,FORMULA_PAT)}; | ||
+ | local t2 = {string.match(str2,FORMULA_PAT)}; | ||
+ | for i,_ in pairs(t1) do | ||
+ | if (t1[i] < t2[i]) then return nil else t1[i] = t1[i]-t2[i] end | ||
+ | end | ||
+ | local ret = ""; | ||
+ | for i,v in pairs(t1) do | ||
+ | if (v > 1) then ret = ret .. ATOMS[i] .. v; | ||
+ | else if (v == 1) then ret = ret .. ATOMS[i]; end end | ||
+ | end | ||
+ | return ret; | ||
+ | --[[ | ||
local c1,h1,cl1,n1,o1,p1,s1=string.match(str1,FORMULA_PAT); | local c1,h1,cl1,n1,o1,p1,s1=string.match(str1,FORMULA_PAT); | ||
local c2,h2,cl2,n2,o2,p2,s2=string.match(str2,FORMULA_PAT); | local c2,h2,cl2,n2,o2,p2,s2=string.match(str2,FORMULA_PAT); | ||
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else if (s1 == 1) then ret = ret .. "S"; end end | else if (s1 == 1) then ret = ret .. "S"; end end | ||
return ret; | return ret; | ||
+ | ]]-- | ||
end | end | ||
Revision as of 23:31, 13 May 2009
./lua: /tmp/mw_ex_lua_nvuoYx:155: attempt to call global 'toMass' (a nil value) No ion information in the form &&(formula)&&(formula)&&...&&
MassBank/Matrix
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