# HG changeset patch # User lecorguille # Date 1518515321 18000 # Node ID 3a5204f14fff010084fca9f4c03637c46012d775 # Parent 090cf284d9ff9bf33beea417283484f711842157 planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 73791d74546087b2a872d9279df960f5bc207298 diff -r 090cf284d9ff -r 3a5204f14fff README.rst --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.rst Tue Feb 13 04:48:41 2018 -0500 @@ -0,0 +1,13 @@ + +Changelog/News +-------------- + +**Version 1.0.1 - 13/02/2017** + +- IMPROVMENT: the tool will now raise an error if a sample isn't describe in the sampleMetadata file + + +**Version 1.0.0 - 03/02/2017** + +- NEW: a new tool to merge individual xcmsSet outputs to be used by xcms.group + diff -r 090cf284d9ff -r 3a5204f14fff test-data/sampleMetadata_missing.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/sampleMetadata_missing.tab Tue Feb 13 04:48:41 2018 -0500 @@ -0,0 +1,5 @@ +wt16 WT +wt15 WT +ko15 KO +ko10 KO +foobar01 FOOBAR diff -r 090cf284d9ff -r 3a5204f14fff xcms_merge.xml --- a/xcms_merge.xml Wed Nov 29 09:45:39 2017 -0500 +++ b/xcms_merge.xml Tue Feb 13 04:48:41 2018 -0500 @@ -1,4 +1,4 @@ - + Merge xcms.xcmsSet xset in one to be used by group @@ -60,6 +60,13 @@ } sampclass(xset)=sampleMetadata\$V2[match(rownames(xset@phenoData),sampleMetadata\$V1)] + + if (any(is.na(sampclass(xset)))) { + sample_missing <- rownames(phenoData(xset))[is.na(sampclass(xset))] + error_message <- paste("Those samples are missing in your sampleMetadata:", paste(sample_missing, collapse=" ")) + print(error_message) + stop(error_message) + } #end if @@ -123,6 +130,14 @@ + + + + + + + +