Template:MassBank/Matrix
From Metabolomics.JP
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ATOMS = {"C", "H", "Cl", "N", "O", "P", "S"}; | ATOMS = {"C", "H", "Cl", "N", "O", "P", "S"}; | ||
MASS = {12, 1, 35, 14, 16, 31, 32}; | MASS = {12, 1, 35, 14, 16, 31, 32}; | ||
| + | MASS2={C=12,H=1,Cl=35,N=14,O=16,P=31,S=32}; | ||
function map(f, list) | function map(f, list) | ||
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function atomicNum(atom, str) | function atomicNum(atom, str) | ||
if (str == "") then return 0 end | if (str == "") then return 0 end | ||
| − | if ( | + | if (MASS2[str] ~= nil) then return 1 end |
if (str == atom) then return 1 end | if (str == atom) then return 1 end | ||
| − | if (string.len(str) > 2 and | + | if (string.len(str) > 2 and MASS2[string.sub(str,1,2)] ~= nil) |
then return tonumber(string.sub(str,3)); | then return tonumber(string.sub(str,3)); | ||
else return tonumber(string.sub(str,2)); | else return tonumber(string.sub(str,2)); | ||
Revision as of 23:25, 13 May 2009
No ion information in the form &&(formula)&&(formula)&&...&&
| MassBank/Matrix | 64 CHClONSP |
| 64 CHClONSP |
|
