Mercurial > repos > prog > lcmsmatching
annotate MassbankConn.R @ 0:e66bb061af06 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
author | prog |
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date | Tue, 12 Jul 2016 12:02:37 -0400 |
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children | 253d531a0193 |
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0
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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1 if ( ! exists('MassbankConn')) { # Do not load again if already loaded |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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2 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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3 source('BiodbConn.R') |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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4 source('MassbankSpectrum.R') |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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5 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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6 ##################### |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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7 # CLASS DECLARATION # |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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8 ##################### |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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9 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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10 MassbankConn <- setRefClass("MassbankConn", contains = "BiodbConn") |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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11 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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12 ########################## |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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13 # GET ENTRY CONTENT TYPE # |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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14 ########################## |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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15 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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16 MassbankConn$methods( getEntryContentType = function(type) { |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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17 return(if (type == RBIODB.SPECTRUM) RBIODB.TXT else NULL) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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18 }) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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19 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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20 ##################### |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
diff
changeset
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21 # GET ENTRY CONTENT # |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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22 ##################### |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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23 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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24 MassbankConn$methods( getEntryContent = function(type, id) { |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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changeset
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25 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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26 if (type == RBIODB.SPECTRUM) { |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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27 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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28 # Initialize return values |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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29 content <- rep(NA_character_, length(id)) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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30 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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31 # Request |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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32 xmlstr <- .self$.scheduler$getUrl(get.entry.url(RBIODB.MASSBANK, id, RBIODB.TXT)) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
diff
changeset
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33 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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34 # Parse XML and get text |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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changeset
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35 if ( ! is.na(xmlstr)) { |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
diff
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36 library(XML) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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37 xml <- xmlInternalTreeParse(xmlstr, asText = TRUE) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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38 ns <- c(ax21 = "http://api.massbank/xsd") |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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39 returned.ids <- xpathSApply(xml, "//ax21:id", xmlValue, namespaces = ns) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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40 content[match(returned.ids, id)] <- xpathSApply(xml, "//ax21:info", xmlValue, namespaces = ns) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
diff
changeset
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41 } |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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42 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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43 return(content) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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changeset
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44 } |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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45 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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46 return(NULL) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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47 }) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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48 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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49 ################ |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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50 # CREATE ENTRY # |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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51 ################ |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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52 |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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53 # Creates a Spectrum instance from file content. |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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54 # content A file content, downloaded from the public database. |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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55 # RETURN A spectrum instance. |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
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56 MassbankConn$methods( createEntry = function(type, content, drop = TRUE) { |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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57 return(if (type == RBIODB.SPECTRUM) createMassbankSpectrumFromTxt(content, drop = drop) else NULL) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
prog
parents:
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58 }) |
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
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59 } |