--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/boxplot.r	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,21 @@
+wrapper <- function(table, columns, options) {
+
+    # initialize output list
+    l <- list()
+
+    # loop through all columns
+    for (key in names(columns)) {
+        # load column data
+        column <- as.numeric(columns[key])
+        column_data <- suppressWarnings(as.numeric(as.character(table[column][[1]])))
+    
+        # create hist data
+        data <- boxplot(column_data, plot=FALSE)
+        
+        # collect vectors in list
+        l <- append(l, list(data$stats))
+    }
+    
+    # return
+    return (l)
+}

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/charts.r	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,116 @@
+#!/usr/bin/Rscript
+
+# load getopt library
+library('getopt');
+
+# convert multi parameter string (i.e. key1: value, key2: value, ...) to object
+split <- function(argument){
+    # process parameter string
+    options <- list()
+    list <- gsub("\\s","", argument)
+    list <- strsplit(list, ",")
+    if (length(list) > 0) {
+        list <- list[[1]]
+        for (entry in list) {
+            pair <- strsplit(entry, ":")
+            if (length(pair) > 0) {
+                pair <- pair[[1]]
+                if (length(pair) == 2) {
+                    options[[pair[1]]] <- pair[2]
+                }
+            }
+        }
+    }
+    return(options)
+}
+
+# get options, using the spec as defined by the enclosed list.
+spec = matrix(c(
+    'workdir',  'w', 1, 'character', 'Work directory',
+    'module',   'm', 1, 'character', 'Module name',
+    'input',    'i', 1, 'character', 'Input tabular file',
+    'columns',  'c', 1, 'character', 'Columns string',
+    'settings', 's', 1, 'character', 'Settings string',
+    'output',   'o', 1, 'character', 'Output tabular file',
+    'help',     'h', 0, '',          'Help',
+    'verbose',  'v', 0, '',          'Verbose'
+), byrow=TRUE, ncol=5);
+opt = getopt(spec);
+
+# show help
+if ( !is.null(opt$help) ||
+    is.null(opt$module) ||
+    is.null(opt$input) ||
+    is.null(opt$columns) ||
+    is.null(opt$output)) {
+    cat(getopt(spec, usage=TRUE))
+    q(status=1);
+}
+
+# read columns/settings
+columns = split(opt$columns)
+settings = split(opt$settings)
+
+# read table
+table <- read.table(opt$input, comment.char='#', fill=TRUE)
+
+# identify module file
+module_file = paste(opt$workdir, opt$module, '.r', sep='')
+
+# source module
+source(module_file)
+
+# run module
+l = wrapper (table, columns, settings)
+
+# header
+header_title <- '# title - Chart Utilities (charts)'
+header_date <- paste('# date -', Sys.time(), sep=' ')
+header_module <- paste('# module -', opt$module, sep=' ')
+header_settings <- paste('# settings -', opt$settings, sep=' ')
+header_columns <- paste('# columns -', opt$columns, sep=' ')
+
+# check result
+if (length(l) > 0) {
+    # print details
+    if (!is.null(opt$verbose)) {
+        print ('Columns:')
+        print (columns)
+        print ('Settings:')
+        print (settings)
+        print ('Result:')
+        print (l)
+    }
+
+    # create output file
+    output <- file(opt$output, open='wt')
+    
+    # write header
+    writeLines('#', output)
+    writeLines(header_title, output)
+    writeLines(header_date, output)
+    writeLines(header_module, output)
+    writeLines(header_settings, output)
+    writeLines(header_columns, output)
+    writeLines('#', output)
+    
+    # pad columns
+    rows <- max(unlist(lapply(l, length)))
+    padded <- lapply(l, function(col) {
+        length(col) = rows;
+        col
+    })
+    
+    # write table
+    write.table(padded, file=output, row.names=FALSE, col.names = FALSE, quote=FALSE, sep='\t')
+    
+    # close file
+    close(output)
+} else {
+    # print details
+    print ('Columns:')
+    print (columns)
+    print ('Settings:')
+    print (settings)
+    print ('No output generated.')
+}
\ No newline at end of file

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/charts.xml	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,90 @@
+<tool id="charts" name="Charts" version="1.0.1" hidden="true">
+    <description>wrapper for R</description>
+    <requirements>
+        <requirement type="package" version="1.20.0">r-getopt</requirement>
+        <requirement type="package" version="1.2-12">r-matrix</requirement>
+    </requirements>
+    <command detect_errors="aggressive">
+<![CDATA[
+        Rscript '$__tool_directory__/charts.r'
+            -w '$__tool_directory__/'
+            -m ${module}
+            -i '${input}'
+            -c '${columns}'
+            -s '${settings}'
+            -o '${output}'
+]]>
+    </command>
+    <inputs>
+        <param name="input" type="data" label="Input dataset" format="tabular" />
+        <param name="module" type="select" label="R-script">
+            <option value="boxplot">boxplot</option>
+            <option value="heatmap">heatmap</option>
+            <option value="histogram">histogram</option>
+            <option value="histogramdiscrete">histogramdiscrete</option>
+        </param>
+        <param name="columns" type="text" area="true" label="Columns string (i.e key1: column, key2: column)" value=""/>
+        <param name="settings" type="text" area="true" label="Options string (i.e key1: value, key2: value)" value=""/>
+    </inputs>
+    <outputs>
+        <data name="output" format="tabular" />
+    </outputs>
+    <tests>
+        <test>
+            <param name="input" value="tabular.txt" />
+            <param name="module" value="histogram" />
+            <param name="columns" value="key1: 2" />
+            <param name="settings" value="" />
+            <output name="output" file="histogram.000.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular.txt" />
+            <param name="module" value="histogram" />
+            <param name="columns" value="key1: 2, key2: 3, key3: 4" />
+            <param name="settings" value="" />
+            <output name="output" file="histogram.001.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular.txt" />
+            <param name="module" value="histogram" />
+            <param name="columns" value="key1: 6" />
+            <param name="settings" value="" />
+            <output name="output" file="histogram.002.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular_single.txt" />
+            <param name="module" value="histogram" />
+            <param name="columns" value="key1: 1" />
+            <param name="settings" value="" />
+            <output name="output" file="histogram.003.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular.txt" />
+            <param name="module" value="boxplot" />
+            <param name="columns" value="key1: 2" />
+            <param name="settings" value="" />
+            <output name="output" file="boxplot.000.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular.txt" />
+            <param name="module" value="boxplot" />
+            <param name="columns" value="key1: 2, key2: 3, key3: 4" />
+            <param name="settings" value="" />
+            <output name="output" file="boxplot.001.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular_matrix.txt" />
+            <param name="module" value="histogramdiscrete" />
+            <param name="columns" value="key1: 1, key2: 2, key3: 3" />
+            <param name="settings" value="" />
+            <output name="output" file="histogramdiscrete.000.txt" lines_diff="2"/>
+        </test>
+        <test>
+            <param name="input" value="tabular_matrix.txt" ftype="tabular" />
+            <param name="module" value="heatmap" />
+            <param name="columns" value="key1: 1, key2: 2, key3: 3" />
+            <param name="settings" value="" />
+            <output name="output" file="heatmap.000.txt" lines_diff="2"/>
+        </test>
+    </tests>
+</tool>

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/heatmap.r	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,97 @@
+# load sparse matrix package
+suppressPackageStartupMessages(library('Matrix'))
+
+# access a numeric column
+get_numeric <- function(table, column_key) {
+    column <- as.numeric(column_key)
+    column_data <- suppressWarnings(as.numeric(as.character(table[column][[1]])))
+    return (c(column_data))
+}
+
+# access a label column
+get_label <- function(table, column_key) {
+    column <- as.numeric(column_key)
+    column_data <- as.character(table[column][[1]])
+    return (c(column_data))
+}
+
+# inflate three columns into matrix
+matrify <- function (data) {
+    if (ncol(data) != 3)
+        stop('Data frame must have three column format')
+    plt <- data[, 1]
+    spc <- data[, 2]
+    abu <- data[, 3]
+    plt.codes <- levels(factor(plt))
+    spc.codes <- levels(factor(spc))
+    taxa <- Matrix(0, nrow=length(plt.codes), ncol=length(spc.codes), sparse=TRUE)
+    row <- match(plt, plt.codes)
+    col <- match(spc, spc.codes)
+    for (i in 1:length(abu)) {
+        taxa[row[i], col[i]] <- abu[i]
+    }
+    colnames(taxa) <- spc.codes
+    rownames(taxa) <- plt.codes
+    taxa
+}
+
+# flatten data.frame into three column format
+flatten <- function(my_matrix) {
+    summ <-summary(my_matrix)
+    summ <- data.frame(i=rownames(my_matrix)[summ$i], j=colnames(my_matrix)[summ$j], x=summ$x)
+    summ
+}
+
+# wrapper
+wrapper <- function(table, columns, options) {
+
+    # initialize output list
+    l <- list()
+
+    # get number of columns
+    n = length(columns)
+    
+    # consistency check
+    if (n %% 3 != 0) {
+        print ('heatmap::wrapper() - Data not consistent (n mod 3 != 0)')
+        return (l)
+    }
+    
+    # create index sequence
+    index = seq(1, n, by=3)
+    
+    # get keys
+    keys = names(columns)
+    
+    # loop through blocks
+    for (i in index) {
+        # create columns
+        ci <- get_label(table, columns[keys[i]])
+        cj <- get_label(table, columns[keys[i+1]])
+        cx <- get_numeric(table, columns[keys[i+2]])
+        
+        # create a frame from columns
+        my_frame <- data.frame(ci=ci, cj=cj, cx=cx)
+        
+        # create matrix out of the frame
+        my_matrix <- matrify(my_frame)
+        
+        # create/cluster matrix
+        row_order <- hclust(dist(my_matrix))$order
+        col_order <- hclust(dist(t(my_matrix)))$order
+        
+        # reorder matrix
+        my_matrix <- my_matrix[row_order, col_order]
+        
+        # transform back to three columns
+        my_flatmatrix = flatten(my_matrix)
+        
+        # append to result list
+        l <- append(l, list(my_flatmatrix$i))
+        l <- append(l, list(my_flatmatrix$j))
+        l <- append(l, list(my_flatmatrix$x))
+    }
+    
+    # return
+    return (l)
+}

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/histogram.r	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,45 @@
+# wrapper
+wrapper <- function(table, columns, options) {
+
+    # initialize output list
+    l <- list()
+
+    # loop through all columns
+    m <- list()
+    for (key in names(columns)) {
+        # load column data
+        column <- as.numeric(columns[key])
+        column_data <- suppressWarnings(as.numeric(as.character(table[column][[1]])))
+        
+        # collect vectors in list
+        m <- append(m, list(column_data))
+    }
+    
+    # identify optimal breaks
+    hist_data <- hist(unlist(m), plot=FALSE)
+    breaks <- hist_data$breaks;
+    
+    # add as first column
+    l <- append(l, list(breaks[2: length(breaks)]))
+    
+    # loop through all columns
+    for (key in seq(m)) {
+        # load column data
+        column_data <- m[[key]]
+        
+        # create hist data
+        hist_data <- hist(column_data, breaks=breaks, plot=FALSE)
+        
+        # normalize densities
+        count_sum <- sum(hist_data$counts)
+        if (count_sum > 0) {
+            hist_data$counts = hist_data$counts / count_sum
+        }
+        
+        # collect vectors in list
+        l <- append(l, list(hist_data$counts))
+    }
+    
+    # return
+    return (l)
+}

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/histogramdiscrete.r	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,54 @@
+# wrapper
+wrapper <- function(table, columns, options) {
+
+    # initialize output list
+    l <- list()
+
+    # loop through all columns
+    m <- list()
+    for (key in names(columns)) {
+        # load column data
+        column <- as.numeric(columns[key])
+        
+        # ensure string column
+        column_data <- as.character(table[column][[1]])
+    
+        # collect vectors in list
+        m <- append(m, list(column_data))
+    }
+    
+    # get alphabetically sorted bins
+    bins <- sort(unique(unlist(m)))
+    
+    # add first column
+    l <- append(l, list(bins))
+    
+    # loop through all columns
+    for (key in seq(m)) {
+        # reset bins
+        bins = sapply(bins, function(v) { 0 })
+        
+        # load column data
+        column_data <- m[[key]]
+        
+        # create hist data
+        table_data <- table(column_data)
+        
+        # transfer counts to bins
+        for (id in names(table_data)) {
+            bins[id] <- table_data[id]
+        }
+        
+        # normalize densities
+        total <- length(column_data)
+        if (total > 0) {
+            bins = bins / total
+        }
+        
+        # collect vectors in list
+        l <- append(l, list(bins))
+    }
+
+    # return
+    return (l)
+}

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/boxplot.000.txt	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,12 @@
+#
+# title - Chart Utilities (charts)
+# date - 2014-04-25 19:44:41
+# module - boxplot
+# settings - 
+# columns - key1: 2
+#
+0
+24
+50
+75
+100

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/boxplot.001.txt	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,12 @@
+#
+# title - Chart Utilities (charts)
+# date - 2014-04-25 19:45:09
+# module - boxplot
+# settings - 
+# columns - key1: 2, key2: 3, key3: 4
+#
+0	1	0
+24	20	17
+50	47.5	42.5
+75	74	69.5
+100	100	100

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/heatmap.000.txt	Fri Mar 09 08:23:08 2018 -0500
@@ -0,0 +1,6000 @@
+#
+# title - Chart Utilities (charts)
+# date - 2018-03-09 08:30:44
+# module - heatmap
+# settings - 
+# columns - key1: 1, key2: 2, key3: 3
+#
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