Mercurial > repos > prog > lcmsmatching
annotate EnzymeEntry.R @ 2:20d69a062da3 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
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date | Thu, 02 Mar 2017 08:55:00 -0500 |
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2
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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1 ##################### |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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2 # CLASS DECLARATION # |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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3 ##################### |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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4 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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5 EnzymeEntry <- methods::setRefClass("EnzymeEntry", contains = 'BiodbEntry') |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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6 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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7 ########### |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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8 # FACTORY # |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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9 ########### |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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10 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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11 createEnzymeEntryFromTxt <- function(contents, drop = TRUE) { |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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12 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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13 entries <- list() |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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14 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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15 # Define fields regex |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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16 regex <- character() |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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17 regex[[BIODB.ACCESSION]] <- "^ID\\s+([0-9.]+)$" |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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18 regex[[BIODB.DESCRIPTION]] <- "^DE\\s+(.+)$" |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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19 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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20 for (text in contents) { |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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21 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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22 # Create instance |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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23 entry <- EnzymeEntry$new() |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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24 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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25 lines <- strsplit(text, "\n") |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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26 for (s in lines[[1]]) { |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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27 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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28 # Test generic regex |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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29 parsed <- FALSE |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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30 for (field in names(regex)) { |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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31 g <- stringr::str_match(s, regex[[field]]) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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32 if ( ! is.na(g[1,1])) { |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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33 entry$setField(field, g[1,2]) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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changeset
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34 parsed <- TRUE |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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35 break |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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36 } |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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37 } |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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38 if (parsed) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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39 next |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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40 } |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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41 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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42 entries <- c(entries, entry) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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43 } |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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44 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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45 # Replace elements with no accession id by NULL |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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46 entries <- lapply(entries, function(x) if (is.na(x$getField(BIODB.ACCESSION))) NULL else x) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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47 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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48 # If the input was a single element, then output a single object |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
parents:
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49 if (drop && length(contents) == 1) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
prog
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50 entries <- entries[[1]] |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
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51 |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
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52 return(entries) |
20d69a062da3
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
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53 } |