changeset 0:610e86c430a9 draft default tip

planemo upload commit 0b661bcf940c03e11becd42b3321df9573b591b2
author vmarcon
date Mon, 23 Oct 2017 09:34:56 -0400
parents
children
files LICENSE plot_pca.R plot_pca.xml rainbow.3.txt test-data/decathlon.tsv test-data/output
diffstat 6 files changed, 1421 insertions(+), 0 deletions(-) [+]
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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+OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+PURPOSE.  THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
+IS WITH YOU.  SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
+ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
+
+  16. Limitation of Liability.
+
+  IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
+WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
+THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
+GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
+USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
+DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
+PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
+EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
+SUCH DAMAGES.
+
+  17. Interpretation of Sections 15 and 16.
+
+  If the disclaimer of warranty and limitation of liability provided
+above cannot be given local legal effect according to their terms,
+reviewing courts shall apply local law that most closely approximates
+an absolute waiver of all civil liability in connection with the
+Program, unless a warranty or assumption of liability accompanies a
+copy of the Program in return for a fee.
+
+                     END OF TERMS AND CONDITIONS
+
+            How to Apply These Terms to Your New Programs
+
+  If you develop a new program, and you want it to be of the greatest
+possible use to the public, the best way to achieve this is to make it
+free software which everyone can redistribute and change under these terms.
+
+  To do so, attach the following notices to the program.  It is safest
+to attach them to the start of each source file to most effectively
+state the exclusion of warranty; and each file should have at least
+the "copyright" line and a pointer to where the full notice is found.
+
+    {one line to give the program's name and a brief idea of what it does.}
+    Copyright (C) {year}  {name of author}
+
+    This program is free software: you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+Also add information on how to contact you by electronic and paper mail.
+
+  If the program does terminal interaction, make it output a short
+notice like this when it starts in an interactive mode:
+
+    {project}  Copyright (C) {year}  {fullname}
+    This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
+    This is free software, and you are welcome to redistribute it
+    under certain conditions; type `show c' for details.
+
+The hypothetical commands `show w' and `show c' should show the appropriate
+parts of the General Public License.  Of course, your program's commands
+might be different; for a GUI interface, you would use an "about box".
+
+  You should also get your employer (if you work as a programmer) or school,
+if any, to sign a "copyright disclaimer" for the program, if necessary.
+For more information on this, and how to apply and follow the GNU GPL, see
+<http://www.gnu.org/licenses/>.
+
+  The GNU General Public License does not permit incorporating your program
+into proprietary programs.  If your program is a subroutine library, you
+may consider it more useful to permit linking proprietary applications with
+the library.  If this is what you want to do, use the GNU Lesser General
+Public License instead of this License.  But first, please read
+<http://www.gnu.org/philosophy/why-not-lgpl.html>.
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/plot_pca.R	Mon Oct 23 09:34:56 2017 -0400
@@ -0,0 +1,421 @@
+#!/usr/bin/env Rscript
+
+# DEFAULT OPTIONS
+
+opt = list()
+opt$log10 = FALSE
+opt$pseudocount = 1e-04
+opt$row_as_variables = FALSE
+
+suppressPackageStartupMessages(library("optparse"))
+
+options(stringsAsFactors=F)
+
+##################
+# OPTION PARSING
+##################
+
+option_list <- list(
+make_option(c("-i", "--input_matrix"), help="the matrix you want to analyze. Can be stdin"),
+make_option(c("-l", "--log10"), action="store_true", default=FALSE, help="apply the log [default=FALSE]"),
+make_option(c("-p", "--pseudocount"), type="double", help="specify a pseudocount for the log [default=%default]", default=1e-04),
+make_option(c("-m", "--metadata"), help="A list of tsv files with metadata on matrix experiment.\n\t\tThey must be in the format 'file1.tsv,file2.tsv' and contain a key column named 'labExpId'. Can be omitted"),
+
+make_option(c("--merge_mdata_on"), default="labExpId",
+	help="[default=%default]"),
+
+#make_option(c("-o", "--output"), help="additional info you want to put in the output file name", default="out"),
+make_option(c("-c", "--color_by"), help="choose the fields in the metadata you want to color by", type='character'),
+
+make_option(c("--sort_color"), type='character', 
+	help="A field for sorting colors. Can be omitted [default=%default]"),
+
+make_option(c("-s", "--shape_by"), default=NULL, type="character", help="choose the fields in the metadata you want to shape by"),
+
+make_option(c("--no_legend"), action="store_true", default=FALSE,
+	help="Do not show the legend [default=%default]"),
+
+make_option(c("-r", "--row_as_variables"), action="store_true", help="select this if you want rows as variables [default=%default]", default=FALSE),
+make_option(c("-C", "--princomp"), help="choose the principal components you want to plot. With 3 PC it gives a 3d plot [default='PC1,PC2']", default="PC1,PC2"),
+
+make_option(c("--print_scores"), action="store_true", default=FALSE, 
+	help="Output the resuling PCs as a separate file with the extension PCs.tsv [default=%default]"),
+
+make_option(c("--print_loadings"), action="store_true", default=FALSE, 
+	help="Output the resulting loadings as a separate file with the extension loadings.tsv [default=%default]"),
+
+make_option(c("--print_lambdas"), action="store_true", default=FALSE,
+	help="Output the resulting lambdas (stdev) as a separate file with the extension lambdas.tsv [default=%default]"),
+
+make_option(c("--biplot"), default=FALSE, action="store_true",
+	help="If active, the factor of the color is used as grouping factor.
+	Centroids are computed and the first <top> loadings are plotted wrt to the two specified components [default=%default]"),
+
+make_option(c("--palette"), default="/users/rg/abreschi/R/palettes/cbbPalette1.15.txt",
+	help="File with the color palette [default=%default]"),
+
+make_option(c("--border"), default=FALSE, action="store_true",
+	help="Black border to dots [default=%default]"),
+
+make_option(c("--shapes"), 
+	help="File with the shapes [default=%default]"),
+
+make_option(c("-L", "--labels"), default=NULL, type="character",
+	help="The metadata field with the labels [default=%default]"),
+
+make_option(c("-B", "--base_size"), default=16, type='numeric',
+	help="Base font size [default=%default]"),
+
+make_option(c("-H", "--height"), default=7,
+	help="Height of the plot in inches [default=%default]"),
+
+make_option(c("-W", "--width"), default=7,
+	help="Width of the plot in inches [default=%default]"),
+
+make_option(c("-o", "--output"), default="pca.out",
+	help="output file name [default=%default]"),
+
+make_option(c("-v", "--verbose"), action='store_true', default=FALSE,
+	help="verbose output [default=%default]")
+)
+
+parser <- OptionParser(usage = "%prog [options] file", option_list=option_list)
+arguments <- parse_args(parser, positional_arguments = TRUE)
+opt <- arguments$options
+
+if (opt$verbose) {print(opt)}
+##------------
+## LIBRARIES
+##------------ 
+suppressPackageStartupMessages(library("reshape"))
+suppressPackageStartupMessages(library("ggplot2"))
+suppressPackageStartupMessages(library("grid"))
+
+
+###############
+# BEGIN
+##############
+
+# read input tables
+inF = opt$input_matrix; if (opt$input_matrix == "stdin") {inF = file("stdin")}
+m = read.table(inF, h=T, sep="\t")
+if (opt$verbose) {
+	cat("Sample of input matrix:\n")
+	print(head(m[,1:10]))
+}
+
+
+# Read the color palette
+my_palette = read.table(opt$palette, h=F, comment.char="%", sep="\t")$V1
+
+# Read the color ordering
+if (is.null(opt$sort_color)) {
+	sort_color=NULL
+}else{
+	sort_color = strsplit(opt$sort_color, ",")[[1]]
+}
+
+# Read the shapes
+if (!is.null(opt$shapes)) {
+	my_shapes = read.table(opt$shapes, h=F, comment.char="%")$V1
+}
+
+# remove potential gene id columns
+char_cols <- which(sapply(m, class) == 'character')
+if (length(char_cols) == 0) {genes = rownames(m)}
+if (length(char_cols) != 0) {genes = m[,char_cols]; m = m[,-(char_cols)]}
+
+if (opt$verbose) {sprintf("WARNING: column %s is character, so it is removed from the analysis", char_cols)}
+
+# apply the log if required
+if (opt$log10) {m = log10(replace(m, is.na(m), 0) + opt$pseudocount)}
+
+# apply pca
+#if (opt$row_as_variable) {
+#m_pca = prcomp(na.omit(m), center=FALSE, scale.=FALSE)} else{
+#m_pca = prcomp(t(na.omit(m)), center=FALSE, scale.=FALSE)}
+#Modified by Gaelle Lefort
+# apply pca
+if (opt$row_as_variable) {
+m_pca = prcomp(t(na.omit(m)), center=FALSE, scale.=FALSE)
+} else {
+m_pca = prcomp(na.omit(m), center=FALSE, scale.=FALSE)
+}
+
+
+# Scale the scores for biplot
+#scaledScores = sweep(m_pca$x, 2, m_pca$sdev / sqrt(nrow(m_pca$x)), "/")
+scaledScores = m_pca$x
+
+if (opt$verbose) {print(dim(na.omit(m)))}
+
+# HANDLING METADATA
+
+# add metadata to pca results, they should be input in the command line in the future
+if (is.null(opt$color_by)) {color_by=NULL
+}else{color_by = color_by = strsplit(opt$color_by, ",")[[1]]}
+if (is.null(opt$shape_by)) {shape_by=NULL
+}else{shape_by = strsplit(opt$shape_by, ",")[[1]]}
+
+# read metadata, one or more table to be merged on labExpId
+if (!is.null(opt$metadata)){
+	mdata = read.table(opt$metadata, h=T, sep="\t", row.names=NULL, comment.char="", quote="");
+	if (opt$merge_mdata_on %in% colnames(mdata)) {
+		mdata[,opt$merge_mdata_on] <- gsub("[,-]", ".", mdata[,opt$merge_mdata_on])
+	}
+
+	if (opt$verbose) {cat('append metadata...')}
+	
+	df = merge(as.data.frame(scaledScores),
+	unique(mdata[c(color_by, shape_by, opt$merge_mdata_on, opt$labels)]), by.x='row.names', by.y=opt$merge_mdata_on, all.x=T)
+	if (opt$verbose) {cat("DONE\n")}
+}else{
+	df = as.data.frame(scaledScores)
+}
+
+
+if (opt$verbose) {print(head(df))}
+
+#########
+# OUTPUT
+#########
+
+output_name = opt$output
+
+# Print text outputs if required
+
+# -- principal components --
+if (opt$print_scores) {
+	write.table(m_pca$x, sprintf("%s.PCs.tsv", output_name), quote=F, sep="\t")
+}
+
+# -- loadings --
+if (opt$print_loadings) {
+	write.table(m_pca$rotation, sprintf("%s.loadings.tsv", output_name), quote=F, sep="\t")
+}
+
+# -- lambdas --
+if (opt$print_lambdas) {
+	perc = round(100*m_pca$sdev/sum(m_pca$sdev), 2)
+	variances = round(m_pca$sdev^2/sum(m_pca$sdev^2)*100, 2)
+	out_df = data.frame(lambda=m_pca$sdev, perc=perc, var_perc=variances)
+	write.table(out_df, sprintf("%s.lambdas.tsv", output_name), quote=F, sep="\t")
+}
+
+# Read the required components 
+prinComp = strsplit(opt$princomp, ",")[[1]]
+prinComp_i = as.numeric(gsub("PC", "", prinComp))
+
+# Get a vector with all the variance percentages
+variances = round(m_pca$sdev^2/sum(m_pca$sdev^2)*100, 2)
+
+if (opt$biplot) {
+
+	aggrVar = opt$color_by
+
+	# === Centroids ===
+
+	centroids = aggregate (
+		formula(sprintf(".~%s", aggrVar)), 
+		df[,c(colnames(df)[grep("^PC", colnames(df))], aggrVar)],
+		mean
+	)
+	centroidsM = centroids[,-1]
+	
+	# === Loadings ===
+	
+	vecNorm = function(x) {sqrt(sum(x**2))}
+	
+	scaledLoadings = sweep(m_pca$rotation, 2, m_pca$sdev * nrow(m_pca$x), "*")
+	
+	centroidsNorm = apply(centroidsM[,prinComp], 1, vecNorm)         # DIM: number of levels x 1
+	loadingsNorm = apply(scaledLoadings[,prinComp], 1, vecNorm)      # DIM: number of variables x 1
+	
+	cosine = ( scaledLoadings[,prinComp] %*% t(centroidsM[,prinComp]) ) / (loadingsNorm %*% t(centroidsNorm))
+	cosine = setNames(data.frame(cosine),  centroids[,1])
+
+	closest = setNames(melt(apply(1-cosine, 2, rank)), c("variable", aggrVar, "rank"))
+	write.table( closest, file=sprintf("%s.cosine.tsv", opt$output), quote=F, row.names=F, sep="\t");
+
+	closest_df = data.frame(merge(closest, scaledLoadings, by.x="variable", by.y="row.names"))
+
+	
+}
+
+
+
+#############
+# PLOT
+#############
+
+# plot parameters
+pts = 5
+
+l_col = opt$labels
+base_size = opt$base_size
+
+theme_set(theme_bw(base_size = base_size))
+theme_update(legend.text=element_text(size=0.9*base_size),
+	legend.key.size=unit(0.9*base_size, "points"),
+	legend.key = element_blank()
+)
+
+top = 30
+
+
+# Open device for plotting
+pdf(sprintf("%s.pdf", output_name), w=opt$width, h=opt$height)
+
+if (length(prinComp) == 2){
+
+	geom_params = list()
+	geom_params$size = pts
+#	geom_params$alpha = opt$alpha
+	
+	mapping = list()
+	mapping <- modifyList(mapping, aes_string(x=prinComp[1], y=prinComp[2]))
+
+	if (!is.null(opt$color_by)) {
+		gp_color_by=interaction(df[color_by])
+		if (!is.null(opt$sort_color)) {
+			gp_color_by = factor(gp_color_by, levels=sort_color)
+		}
+		mapping = modifyList(mapping, aes_string(color=gp_color_by, order=gp_color_by))
+	} else {
+		gp_color_by=NULL
+	}
+	
+	if (!is.null(opt$shape_by)) {
+		gp_shape_by=interaction(df[shape_by])
+		if (!is.null(opt$sort_shape)) {
+			gp_shape_by = factor(gp_shape_by, levels=sort_shape)
+		}
+		mapping = modifyList(mapping, aes_string(shape=gp_shape_by, order=gp_shape_by))
+	} else {
+		gp_shape_by=NULL
+	}
+
+#	if (!is.na(opt$shape_by)) {gp_shape_by=interaction(df[shape_by]);
+#	gp_shape_by <- factor(gp_shape_by, levels=sort(levels(gp_shape_by)))
+#	mapping = modifyList(mapping, aes_string(shape=S_col))
+	
+	class(mapping) <- "uneval"
+	
+	pointLayer <- layer(
+		geom = "point",
+	#	geom_params = geom_params,
+		params = geom_params,
+		mapping = mapping,
+		stat = "identity",
+		position = "identity"
+	)
+	
+
+
+
+	# plotting...
+	gp = ggplot(df, aes_string(x=prinComp[1],y=prinComp[2]));
+
+	if (opt$biplot) {
+		gp = gp + geom_point(data=centroids, aes_string(x=prinComp[1], y=prinComp[2], color=opt$color_by), shape=8, size=7)
+		gp = gp + geom_segment( 
+			data=subset(closest_df, rank <= top), 
+			aes_string(x=0, y=0, xend=prinComp[1], yend=prinComp[2], color=opt$color_by)
+		)
+	}
+
+
+	if (opt$border) {
+		if (!is.null(opt$shape_by)) {
+		gp = gp + geom_point(aes(shape=gp_shape_by), col='black', size=pts+1.0);
+		} else {
+		gp =  gp + geom_point(col="black", size=pts+1.0)
+		}
+	}
+
+	gp = gp + pointLayer
+
+#	gp = gp + geom_point(aes(color=gp_color_by))
+#	gp = gp + geom_point(aes(col=gp_color_by, shape=gp_shape_by), size=pts);
+#
+	gp = gp + labs(title="");
+	gp = gp + labs(x=sprintf('%s (%s%%)', prinComp[1], variances[prinComp_i[1]]));
+	gp = gp + labs(y=sprintf('%s (%s%%)', prinComp[2], variances[prinComp_i[2]]));
+
+	gp = gp + scale_color_manual(name=opt$color_by, values=my_palette)
+	if (!is.null(opt$shapes)) {
+		gp = gp + scale_shape_manual(name=opt$shape_by, values=my_shapes);
+	}
+	if (opt$no_legend) {
+		gp = gp + guides(shape=FALSE, color=FALSE)
+	
+}
+	if (!is.null(opt$labels)) {
+		gp = gp + geom_text(aes_string(label=l_col), size=pts)
+	}
+
+	gp
+} 
+
+
+
+
+# --------------------
+#
+# 3d scatterplot
+#
+# --------------------
+
+
+if (length(prinComp) == 3) {
+
+suppressPackageStartupMessages(library(scatterplot3d))
+
+par(xpd=NA, omi=c(0.5, 0.5, 0.5, 1.0))
+
+if (!is.na(opt$color_by)) {gp_color=my_palette[interaction(df[color_by])]} else {gp_color="black"}
+if (!is.null(opt$shape_by)) {gp_shape_by=interaction(df[shape_by]);
+gp_shape_by <- factor(gp_shape_by, levels=sort(intersect(levels(gp_shape_by), gp_shape_by))); gp_shape=my_shapes[gp_shape_by]} else {gp_shape_by=NULL}
+
+plot3d = scatterplot3d(df[prinComp], 
+	color = gp_color,
+	pch = gp_shape,
+	xlab = sprintf('%s (%s%%)', prinComp[1], variances[prinComp_i[1]]),
+	ylab = sprintf('%s (%s%%)', prinComp[2], variances[prinComp_i[2]]),
+	zlab = sprintf('%s (%s%%)', prinComp[3], variances[prinComp_i[3]]),
+	cex.symbols = 1.5,
+	lab = c(5,4)
+)
+
+# !!! To be removed after the mouse paper !!!
+#i=0; for(sample in interaction(df[color_by])) {
+#i=i+1; plot3d$points3d(subset(df, General_category == sample, select=prinComp), type='l', col=gp_color[i])}
+
+if (!is.na(opt$color_by)) {
+	legend(
+		x = log(max(df[prinComp[1]])) + 3,
+#		x = 5,
+		y = 5.5,
+		legend = levels(interaction(df[color_by])), 
+		fill = my_palette[seq_along(levels(interaction(df[color_by])))]
+	)
+}
+
+if (!is.na(opt$shape_by)) {
+	legend(
+#		x = -log(abs(min(df[prinComp[1]]))) - 1.5, 
+		x = -3,
+		y = 6, 
+#		y = 7.2,
+		legend = levels(gp_shape_by), 
+		pch = my_shapes[seq_along(levels(gp_shape_by))]
+		)
+#	legend(-log(abs(min(df[prinComp[1]])))+1.5,7.2,levels(gp_shape_by), 
+#	pch=shapes[seq_along(levels(gp_shape_by))])
+}
+}
+
+
+dev.off()
+q(save='no')
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/plot_pca.xml	Mon Oct 23 09:34:56 2017 -0400
@@ -0,0 +1,281 @@
+<!--# Copyright (C) 2017 INRA
+# This program is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+# 
+# You should have received a copy of the GNU General Public License
+# along with this program.  If not, see http://www.gnu.org/licenses/.
+#-->
+<tool id="plot_pca" name="Plot PCA" version="1.0.0">
+    <description>PCA analysis</description>
+    <requirements>
+        <requirement type="package">R</requirement>
+        <requirement type="package">r-optparse</requirement>
+        <requirement type="package">r-reshape</requirement>
+        <requirement type="package">r-ggplot2</requirement>
+        <requirement type="package">r-gridextra</requirement>
+        <requirement type="package">r-scatterplot3d</requirement>
+    </requirements>
+    <stdio>
+        <!-- Anything other than zero is an error -->
+        <exit_code range="1:" level="fatal"/>
+        <exit_code range=":-1" level="fatal"/>
+    </stdio>
+    <command><![CDATA[
+        Rscript $__tool_directory__/plot_pca.R
+        --input_matrix $input_matrix
+        #if $log_cond.log10:
+          -l $log_cond.pseudocount
+        #end if 
+        #if $height
+          --height $height
+        #end if
+        #if $width
+          --width $width
+        #end if
+        #if $output
+          --output $output
+        #end if
+        #if $metadata_cond.metadata:
+          --metadata          
+          $metadata_cond.input_metadata
+          #for $i, $s in enumerate( $metadata_cond.series )
+            ,${s.input_metadata2}
+          #end for
+          #if $metadata_cond.color_by
+            --color_by $metadata_cond.color_by
+          #end if
+          #if $metadata_cond.shape_by
+            --shape_by $metadata_cond.shape_by
+          #end if
+        #end if
+         --border
+         --palette=$__tool_directory__/rainbow.3.txt
+         &&
+         cp *.pdf $outputfile
+    ]]></command>
+    <inputs>
+        <param argument="--input_matrix" type="data" format="csv,tabular" label="Input Matrix"/>
+
+        <conditional name="log_cond">
+            <param name="log10" type="boolean" checked="false" truevalue="True" falsevalue="" label="Apply the log10" help="Default=No"/>
+            <when value="True">
+                <param name="pseudocount" type="float" value="1e-04" help="Default=1e-04" />
+            </when>
+        </conditional>
+
+        <conditional name="metadata_cond">
+            <param name="metadata" type="boolean" checked="false" truevalue="Yes" falsevalue="" label="Add file with metadata on matrix experiment?" help="must countain a key column named 'labExpId"/>
+            <when value="Yes">
+                <param name="input_metadata" type="data" format="tsv" label="Input Metadata file"/> 
+                <repeat name="series" title="Others Input Metadata files">
+                    <param name="input_metadata2" type="data" format="tsv" label="Other Input Metadata file"/>
+                </repeat>
+                <param argument="--color_by" type="text" label="Choose the fields in the metadata you want to color by" /> 
+                <param argument="--shape_by" type="text" label="Choose the fields in the metadata you want to shape by" />  
+            </when>
+        </conditional>
+
+        <param argument="--height" size="20" type="integer" value="7"  label="Height of the plot in inches" /> 
+        <param argument="--width" size="20" type="integer" value="7"  label="Width of the plot in inches" />
+        <param argument="--output" type="text" label="Output name" help="[Optional] Specify the project label for your outputs. By default it will be the name of your input file."/>
+    </inputs>
+    <outputs>
+        <data format="pdf" name="outputfile" label ="#if str($output)=='' then os.path.splitext(str($input_matrix.name))[0]  else $output #_PCA.pdf"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input_matrix" value="decathlon.tsv" />
+            <conditional name="log_cond">
+                <param name="log10" value="True" />
+                <param name="pseudocount" value="1e-04" />
+            </conditional>
+            <conditional name="metadata_cond">
+                <param name="metadata" value="" />
+            </conditional>
+            <param name="height" value="7" />
+            <param name="width" value="7" />
+            <param name="output" value="" />
+            <output name="outputfile" file="output" compare="sim_size" />
+        </test>
+    </tests>
+
+    <help><![CDATA[
+
+========
+Plot PCA
+========
+
+-----------
+Description
+-----------
+
+Plot a Principal Component Analysis (PCA) from a data matrix
+
+-----------
+Input files
+-----------
+
++---------------------------+----------------+
+| Parameter : num + label   |   Format       |
++===========================+================+
+| 1 : Input matrix          |   csv,tabular  |
++---------------------------+----------------+
+
+----------
+Parameters
+----------
+
+Apply the log 10
+        | To normalize your data
+        | 
+
+(?)Add file with metadata on matrix experiment?
+        | To ad metadata to the analysis
+        |
+
+Input Metadata file
+        | Must countain a key column named labExpId
+        | 
+
+Others Metadata files
+        |  
+
+Choose the fields in the metadata you want to color by
+        |  
+
+Choose the fields in the metadata you want to shape by
+        | 
+
+Height of the plot in inches
+        | default 7 inches 
+        | 
+
+Width of the plot in inches
+        | default 7 inches 
+        | 
+
+Output name
+        | Specify the project label for your outputs. By default it will be the name of your input file 
+        | 
+
+------------
+Output files
+------------
+
+<Input Name>_PCA.pdf
+        | Pdf file containing your PCA plot
+
+
+------
+
+**Authors**
+Alessandra Breschi (alessandra.breschi@crg.eu); 
+Sarah Djebali (sarah.djebali-quelen@inra.fr);
+Valentin Marcon (valentin.marcon@inra.fr)
+
+Contact : sigenae-support@listes.inra.fr
+
+-------------
+Please cite :
+-------------
+
+- (Depending on the help provided you can cite us in acknowledgements)
+    
+Acknowledgements
+        | We wish to thank : Alessandra Breschi, Sarah Djebali (Centre for Genomic Regulation - http://www.crg.eu/), and Valentin Marcon (Migale platform - http://migale.jouy.inra.fr/)
+
+
+
+------
+
+.. class:: infomark
+
+Usage: ./plot_pca.R [options] file
+
+Options:
+	-i INPUT_MATRIX, --input_matrix=INPUT_MATRIX
+			the matrix you want to analyze. Can be stdin
+
+	-l, --log10
+			apply the log [default=FALSE]
+
+	-p PSEUDOCOUNT, --pseudocount=PSEUDOCOUNT
+			specify a pseudocount for the log [default=1e-04]
+
+	-m METADATA, --metadata=METADATA
+			A list of tsv files with metadata on matrix experiment.
+					They must be in the format 'file1.tsv,file2.tsv' and contain a key column named 'labExpId'. Can be omitted
+
+	--merge_mdata_on=MERGE_MDATA_ON
+			[default=labExpId]
+
+	-c COLOR_BY, --color_by=COLOR_BY
+			choose the fields in the metadata you want to color by
+
+	--sort_color=SORT_COLOR
+			A field for sorting colors. Can be omitted [default=NULL]
+
+	-s SHAPE_BY, --shape_by=SHAPE_BY
+			choose the fields in the metadata you want to shape by
+
+	--no_legend
+			Do not show the legend [default=FALSE]
+
+	-r, --row_as_variables
+			select this if you want rows as variables [default=FALSE]
+
+	-C PRINCOMP, --princomp=PRINCOMP
+			choose the principal components you want to plot. With 3 PC it gives a 3d plot [default='PC1,PC2']
+
+	--print_scores
+			Output the resuling PCs as a separate file with the extension PCs.tsv [default=FALSE]
+
+	--print_loadings
+			Output the resulting loadings as a separate file with the extension loadings.tsv [default=FALSE]
+
+	--print_lambdas
+			Output the resulting lambdas (stdev) as a separate file with the extension lambdas.tsv [default=FALSE]
+
+	--biplot
+			If active, the factor of the color is used as grouping factor.
+				Centroids are computed and the first <top> loadings are plotted wrt to the two specified components [default=FALSE]
+
+	--palette=PALETTE
+			File with the color palette [default=/users/rg/abreschi/R/palettes/cbbPalette1.15.txt]
+
+	--border
+			Black border to dots [default=FALSE]
+
+	--shapes=SHAPES
+			File with the shapes [default=NULL]
+
+	-L LABELS, --labels=LABELS
+			The metadata field with the labels [default=NULL]
+
+	-B BASE_SIZE, --base_size=BASE_SIZE
+			Base font size [default=16]
+
+	-H HEIGHT, --height=HEIGHT
+			Height of the plot in inches [default=7]
+
+	-W WIDTH, --width=WIDTH
+			Width of the plot in inches [default=7]
+
+	-o OUTPUT, --output=OUTPUT
+			output file name [default=pca.out]
+
+	-v, --verbose
+			verbose output [default=FALSE]
+
+	-h, --help
+			Show this help message and exit
+
+  ]]></help>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/rainbow.3.txt	Mon Oct 23 09:34:56 2017 -0400
@@ -0,0 +1,3 @@
+#FF0000FF
+#00FF00FF
+#0000FFFF
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/decathlon.tsv	Mon Oct 23 09:34:56 2017 -0400
@@ -0,0 +1,42 @@
+"name"	"100m"	"Long.jump"	"Shot.put"	"High.jump"	"400m"	"110m.hurdle"	"Discus"	"Pole.vault"	"Javeline"	"1500m"
+"SEBRLE"	11.04	7.58	14.83	2.07	49.81	14.69	43.75	5.02	63.19	291.7
+"CLAY"	10.76	7.4	14.26	1.86	49.37	14.05	50.72	4.92	60.15	301.5
+"KARPOV"	11.02	7.3	14.77	2.04	48.37	14.09	48.95	4.92	50.31	300.2
+"BERNARD"	11.02	7.23	14.25	1.92	48.93	14.99	40.87	5.32	62.77	280.1
+"YURKOV"	11.34	7.09	15.19	2.1	50.42	15.31	46.26	4.72	63.44	276.4
+"WARNERS"	11.11	7.6	14.31	1.98	48.68	14.23	41.1	4.92	51.77	278.1
+"ZSIVOCZKY"	11.13	7.3	13.48	2.01	48.62	14.17	45.67	4.42	55.37	268
+"McMULLEN"	10.83	7.31	13.76	2.13	49.91	14.38	44.41	4.42	56.37	285.1
+"MARTINEAU"	11.64	6.81	14.57	1.95	50.14	14.93	47.6	4.92	52.33	262.1
+"HERNU"	11.37	7.56	14.41	1.86	51.1	15.06	44.99	4.82	57.19	285.1
+"BARRAS"	11.33	6.97	14.09	1.95	49.48	14.48	42.1	4.72	55.4	282
+"NOOL"	11.33	7.27	12.68	1.98	49.2	15.29	37.92	4.62	57.44	266.6
+"BOURGUIGNON"	11.36	6.8	13.46	1.86	51.16	15.67	40.49	5.02	54.68	291.7
+"Sebrle"	10.85	7.84	16.36	2.12	48.36	14.05	48.72	5	70.52	280.01
+"Clay"	10.44	7.96	15.23	2.06	49.19	14.13	50.11	4.9	69.71	282
+"Karpov"	10.5	7.81	15.93	2.09	46.81	13.97	51.65	4.6	55.54	278.11
+"Macey"	10.89	7.47	15.73	2.15	48.97	14.56	48.34	4.4	58.46	265.42
+"Warners"	10.62	7.74	14.48	1.97	47.97	14.01	43.73	4.9	55.39	278.05
+"Zsivoczky"	10.91	7.14	15.31	2.12	49.4	14.95	45.62	4.7	63.45	269.54
+"Hernu"	10.97	7.19	14.65	2.03	48.73	14.25	44.72	4.8	57.76	264.35
+"Nool"	10.8	7.53	14.26	1.88	48.81	14.8	42.05	5.4	61.33	276.33
+"Bernard"	10.69	7.48	14.8	2.12	49.13	14.17	44.75	4.4	55.27	276.31
+"Schwarzl"	10.98	7.49	14.01	1.94	49.76	14.25	42.43	5.1	56.32	273.56
+"Pogorelov"	10.95	7.31	15.1	2.06	50.79	14.21	44.6	5	53.45	287.63
+"Schoenbeck"	10.9	7.3	14.77	1.88	50.3	14.34	44.41	5	60.89	278.82
+"Barras"	11.14	6.99	14.91	1.94	49.41	14.37	44.83	4.6	64.55	267.09
+"Smith"	10.85	6.81	15.24	1.91	49.27	14.01	49.02	4.2	61.52	272.74
+"Averyanov"	10.55	7.34	14.44	1.94	49.72	14.39	39.88	4.8	54.51	271.02
+"Ojaniemi"	10.68	7.5	14.97	1.94	49.12	15.01	40.35	4.6	59.26	275.71
+"Smirnov"	10.89	7.07	13.88	1.94	49.11	14.77	42.47	4.7	60.88	263.31
+"Qi"	11.06	7.34	13.55	1.97	49.65	14.78	45.13	4.5	60.79	272.63
+"Drews"	10.87	7.38	13.07	1.88	48.51	14.01	40.11	5	51.53	274.21
+"Parkhomenko"	11.14	6.61	15.69	2.03	51.04	14.88	41.9	4.8	65.82	277.94
+"Terek"	10.92	6.94	15.15	1.94	49.56	15.12	45.62	5.3	50.62	290.36
+"Gomez"	11.08	7.26	14.57	1.85	48.61	14.41	40.95	4.4	60.71	269.7
+"Turi"	11.08	6.91	13.62	2.03	51.67	14.26	39.83	4.8	59.34	290.01
+"Lorenzo"	11.1	7.03	13.22	1.85	49.34	15.38	40.22	4.5	58.36	263.08
+"Karlivans"	11.33	7.26	13.3	1.97	50.54	14.98	43.34	4.5	52.92	278.67
+"Korkizoglou"	10.86	7.07	14.81	1.94	51.16	14.96	46.07	4.7	53.05	317
+"Uldal"	11.23	6.99	13.53	1.85	50.95	15.09	43.01	4.5	60	281.7
+"Casarsa"	11.36	6.68	14.92	1.94	53.2	15.39	48.66	4.4	58.62	296.12
Binary file test-data/output has changed