Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
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{{#lua: | {{#lua: | ||
FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; | ||
| + | FORMULA_CHAR = "CHNOPSl0-9"; | ||
function atomicNum(atom, str) | function atomicNum(atom, str) | ||
if (str == "") then return 0; end | if (str == "") then return 0; end | ||
| Line 75: | Line 76: | ||
else | else | ||
---register fragments--- | ---register fragments--- | ||
| − | head, tail = string.match(line, "([ | + | head, tail = string.match(line, "^(["..FORMULA_CHAR.."]+) *: *(["..FORMULA_CHAR.." ]+)$"); |
if (head ~= nil and tail ~= nil) then | if (head ~= nil and tail ~= nil) then | ||
y = {}; | y = {}; | ||
Revision as of 17:01, 13 May 2009
No ion information in the form &&(formula)&&(formula)&&...&&
| MassBank/Matrix | 64 CHClONSP |
| 64 CHClONSP |
|
