Mercurial > repos > lecorguille > xcms_export_samplemetadata
annotate xcms_export_samplemetadata.r @ 8:c684ccd89267 draft
"planemo upload for repository https://github.com/workflow4metabolomics/xcms commit f1caf2a3bf23cf319a75dd12c86402555dd02617"
author | workflow4metabolomics |
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date | Wed, 12 Feb 2020 08:27:57 -0500 |
parents | 8c62030a1136 |
children | 94eb263cfab4 |
rev | line source |
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e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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1 #!/usr/bin/env Rscript |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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2 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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3 #Import the different functions |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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4 source_local <- function(fname){ argv <- commandArgs(trailingOnly=FALSE); base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)); source(paste(base_dir, fname, sep="/")) } |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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5 source_local("lib.r") |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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6 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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7 pkgs <- c("xcms","batch") |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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8 loadAndDisplayPackages(pkgs) |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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9 cat("\n\n"); |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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10 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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11 args <- parseCommandArgs(evaluate=FALSE) #interpretation of arguments given in command line as an R list of objects |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
|
12 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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13 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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14 sampleMetadata <- NULL |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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15 for(image in args$images) { |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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16 load(image) |
2
942ffa3c38b8
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ba2a5c2e962a95155c344dc1864a9c76eb565e9c
lecorguille
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17 if (exists("raw_data")) xdata <- raw_data |
942ffa3c38b8
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit ba2a5c2e962a95155c344dc1864a9c76eb565e9c
lecorguille
parents:
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diff
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18 if (!exists("xdata")) stop("\n\nERROR: The RData doesn't contain any object called 'xdata'. This RData should have been created by an old version of XMCS 2.*") |
0
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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19 if (is.null(sampleMetadata)) |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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20 sampleMetadata <- xdata@phenoData@data |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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21 else |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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22 sampleMetadata <- rbind(sampleMetadata,xdata@phenoData@data) |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
|
23 } |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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24 colnames(sampleMetadata) <- c("sample_name","class") |
1
008aceb33627
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86-dirty
lecorguille
parents:
0
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25 sampleMetadata$sample_name <- make.names(sampleMetadata$sample_name) |
0
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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26 |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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27 # Create a sampleMetada file |
e3c06320f884
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 67da3bb19bde72d5e78397e5627c176896234f86
lecorguille
parents:
diff
changeset
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28 write.table(sampleMetadata,file="sampleMetadata.tsv", sep="\t", row.names=FALSE, quote=FALSE) |