Mercurial > repos > galaxyp > cardinal_combine
comparison combine.xml @ 8:525f201b86c1 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/cardinal commit d008f6ea0f5c8435fb975a34cb99ea4d42c5ebd2"
author | galaxyp |
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date | Wed, 13 May 2020 14:08:25 -0400 |
parents | 392b2dfd261d |
children | 7e18fcb92a6a |
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7:392b2dfd261d | 8:525f201b86c1 |
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1 <tool id="cardinal_combine" name="MSI combine" version="@VERSION@.0"> | 1 <tool id="cardinal_combine" name="MSI combine" version="@VERSION@.1"> |
2 <description> | 2 <description> |
3 combine several mass spectrometry imaging datasets into one | 3 combine several mass spectrometry imaging datasets into one |
4 </description> | 4 </description> |
5 <macros> | 5 <macros> |
6 <import>macros.xml</import> | 6 <import>macros.xml</import> |
84 | 84 |
85 ## read and manipulate MSI data | 85 ## read and manipulate MSI data |
86 | 86 |
87 #if $infile.ext == 'imzml' | 87 #if $infile.ext == 'imzml' |
88 #if str($processed_cond.processed_file) == "processed": | 88 #if str($processed_cond.processed_file) == "processed": |
89 msidata_$i <- readImzML('infile_${i}', resolution=$processed_cond.accuracy, units = "$processed_cond.units", attach.only=TRUE, as="MSImageSet") | 89 msidata_$i <- readImzML('infile_${i}', resolution=$processed_cond.accuracy, units = "$processed_cond.units", attach.only=TRUE) |
90 ##msidata_$i = collect(msidata_$i, as.matrix=TRUE) ##coercion to continuous | 90 msidata_$i = collect(msidata_$i, as.matrix=TRUE) ##coercion to continuous |
91 centroided(msidata_$i) = $centroids | 91 centroided(msidata_$i) = $centroids |
92 #else | 92 #else |
93 msidata_$i <- readImzML('infile_${i}', attach.only=TRUE, as="MSImageSet") | 93 msidata_$i <- readImzML('infile_${i}', attach.only=TRUE) |
94 centroided(msidata_$i) = $centroids | 94 centroided(msidata_$i) = $centroids |
95 #end if | 95 #end if |
96 #elif $infile.ext == 'analyze75' | 96 #elif $infile.ext == 'analyze75' |
97 msidata_$i = readAnalyze('infile_${i}', attach.only=TRUE, as="MSImageSet") | 97 msidata_$i = readAnalyze('infile_${i}', attach.only=TRUE) |
98 centroided(msidata_$i) = $centroids | 98 centroided(msidata_$i) = $centroids |
99 #else | 99 #else |
100 ## function to read RData files independent of filename | 100 ## function to read RData files independent of filename |
101 loadRData <- function(fileName){ | 101 loadRData <- function(fileName){ |
102 load(fileName) | 102 load(fileName) |
109 msidata_$i\$column3 = NULL | 109 msidata_$i\$column3 = NULL |
110 msidata_$i\$column4 = NULL | 110 msidata_$i\$column4 = NULL |
111 msidata_$i\$column5 = NULL | 111 msidata_$i\$column5 = NULL |
112 msidata_$i\$combined_sample = NULL | 112 msidata_$i\$combined_sample = NULL |
113 #end if | 113 #end if |
114 | |
115 ## coercion into MSImageSet | |
116 msidata_$i = as(msidata_$i, "MSImageSet") | |
114 | 117 |
115 ## remove duplicated coordinates, otherwise combine will fail | 118 ## remove duplicated coordinates, otherwise combine will fail |
116 print(paste0(sum(duplicated(coord(msidata_$i))), " duplicated coordinates were removed from input file")) | 119 print(paste0(sum(duplicated(coord(msidata_$i))), " duplicated coordinates were removed from input file")) |
117 msidata_${i} <- msidata_${i}[,!duplicated(coord(msidata_${i}))] | 120 msidata_${i} <- msidata_${i}[,!duplicated(coord(msidata_${i}))] |
118 | 121 |