Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
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m |
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| Line 65: | Line 65: | ||
end | end | ||
| − | local ruler; | + | local ruler = nil; |
local fragments = {}; | local fragments = {}; | ||
local x, y; | local x, y; | ||
---Read Data--- | ---Read Data--- | ||
for line in stdin:gmatch("[%S ,]+") do | for line in stdin:gmatch("[%S ,]+") do | ||
| − | if (string.find(line, " | + | if (string.find(line, "^(&&[A-Za-z0-9]+)+&&$") == nil) |
then ruler = string.gsub(line, "&&", " "); | then ruler = string.gsub(line, "&&", " "); | ||
| − | else ---register fragments--- | + | else |
| + | ---register fragments--- | ||
head, tail = string.match(line, "([CHNOPSl0-9]+) *: *([CHNOPSl0-9 ]+)"); | head, tail = string.match(line, "([CHNOPSl0-9]+) *: *([CHNOPSl0-9 ]+)"); | ||
| − | y = {}; | + | if (head ~= nil and tail ~= nil) then |
| − | + | y = {}; | |
| − | + | for x in string.gmatch(tail,"[CHNOPSl0-9]+") do | |
| + | y[x] = x; | ||
| + | end | ||
| + | fragments[head] = y; | ||
end | end | ||
| − | |||
end | end | ||
end | end | ||
---Check Ruler--- | ---Check Ruler--- | ||
| + | if (ruler == nil) then | ||
| + | print("No ion information in the form &&(formula)&&(formula)&&...&&"); | ||
| + | exit(); | ||
| + | end | ||
x = nil; | x = nil; | ||
for formula in string.gmatch(ruler, "([%S]+)") do | for formula in string.gmatch(ruler, "([%S]+)") do | ||
| Line 138: | Line 145: | ||
if (string.find(line, ":") == nil) then | if (string.find(line, ":") == nil) then | ||
ruler = line; | ruler = line; | ||
| − | |||
| − | |||
| − | |||
end | end | ||
end | end | ||
Revision as of 16:08, 13 May 2009
| MassBank/Matrix | 141 CHClNOPS |
| 141 CHClNOPS |
|
