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# MSeasy Tcl/Tk GUI for some basic functions in the MSeasy package.
# Part of the code is based on the ade4TkGUI package by Jean Thioulouse <jthioulouse@biomserv.univ-lyon1.fr>, Stephane
# Dray <dray@biomserv.univ-lyon1.fr>
#
dialog.MS.clust <-
function()
{
if (exists("DemoFlag", envir=as.environment("e1"))) {
#
tkmessageBox(title="Launch Demonstration",message="To launch the demonstration, select: \n clusMeth=hierarchical \n disMeth=euclidean \n linkMeth=ward \n in the next window \n Then click on the Submit button",icon="info",type="ok")
eval(Agilent_quantF_MSclust, envir=as.environment("e1"))
op=options()
options(warn=-1)
#
# Main dialog window with title
#
tt <- tktoplevel()
tkwm.title(tt,"MS.clust ")
#
# Variables for text fields
#
dirvar <- tclVar()
msclustvar<-tclVar("Out_MS.clustdemo")
dfvar <- tclVar("Agilent_quantF_MSclust")
clustvar1<-tclVar()
#
# Variable for number fields
#
ncminvar <- tclVar(10)
ncmaxvar <- tclVar(50)
nctotvar <-tclVar(21)
varRTvar <-tclVar(0.1)
#
# Checkboxes
#
scannfvar <- tclVar(0)
quantnfvar <- tclVar(0) #for quant=TRUE/FALSE option in MS.Clust with Agilent files
#
# liste
#
distancevar <- tclVar()
clustvar <- tclVar()
agglovar<-tclVar()
}
else{
op=options()
options(warn=-1)
#
# Main dialog window with title
#
tt <- tktoplevel()
tkwm.title(tt,"MS.clust ")
#
# Variables for text fields
#
dirvar <- tclVar()
msclustvar<-tclVar()
dfvar <- tclVar()
clustvar1<-tclVar()
#
# Variable for number fields
#
ncminvar <- tclVar(10)
ncmaxvar <- tclVar(50)
nctotvar <-tclVar(21)
varRTvar <-tclVar(0.1)
#
# Checkboxes
#
scannfvar <- tclVar(1)
quantnfvar <- tclVar(1) #for quant=TRUE/FALSE option in MS.Clust with Agilent files
#
# liste
#
distancevar <- tclVar()
clustvar <- tclVar()
agglovar<-tclVar()
}
#
# Title
#
TFrame <- tkframe(tt, relief="groove")
labh <- tklabel(TFrame, bitmap="questhead")
tkgrid(tklabel(TFrame,text="Clustering of Mass Spectra", font="Times 18", foreground="red"), labh)
tkbind(labh, "<Button-1>", function() print(help("MS.clust ")))
tkgrid(TFrame)
#
# MS.clust
#
IOFrame <- tkframe(tt, relief="groove", borderwidth=2)
tkgrid(tklabel(IOFrame,text="- MS.clust Input & Output files-", foreground="blue"), columnspan=5)
msclust.entry <- tkentry(IOFrame, textvariable=msclustvar)
df.entry <- tkentry(IOFrame, textvariable=dfvar)
dfnr.label <- tklabel(IOFrame, width=4)
dfnc.label <- tklabel(IOFrame, width=4)
choosedf.but <- tkbutton(IOFrame, text="Set", command=function() choosedf(df.entry, dfnr.label, dfnc.label))
tkgrid(tklabel(IOFrame,text="Input data frame : "), df.entry, choosedf.but, dfnr.label, dfnc.label, sticky="w")
tkgrid(tklabel(IOFrame,text="Output name : "), msclust.entry, sticky="w")
tkgrid(IOFrame, sticky="we")
#
# Cluster validation
#
clVFrame <- tkframe(tt, relief="groove", borderwidth=2)
tkgrid(tklabel(clVFrame,text=" - Find optimal number(s) of clusters ?-", foreground="blue"), columnspan=2)
scannf.cbut <- tkcheckbutton(clVFrame,text="Check for Yes or Uncheck for No", variable=scannfvar,
command=function() if (tclvalue(scannfvar)==1) {tkconfigure(ncmin.entry, state="normal") ; tkconfigure(ncmax.entry, state="normal") ; tkconfigure(nctot.entry, state="disabled")}else {tkconfigure(ncmin.entry, state="disabled") ; tkconfigure(ncmax.entry, state="disabled") ; tkconfigure(nctot.entry, state="normal")})
tkgrid(scannf.cbut, sticky="we", columnspan=2)
#
# Number of clusters
#
listFrame <- tkframe(clVFrame, relief="groove", borderwidth=2)
tkgrid(tklabel(clVFrame,text="IF Yes", foreground="red"), columnspan=2, sticky="w")
ncmin.entry <- tkentry(clVFrame, textvariable=ncminvar, width=4, state="normal")
ncmax.entry <- tkentry(clVFrame, textvariable=ncmaxvar, width=4, state="normal")
nctot.entry <- tkentry(clVFrame, textvariable=nctotvar, width=4, state="disabled")
tkgrid(tklabel(clVFrame,text="ncmin : "), ncmin.entry,tklabel(clVFrame,text=" ncmax : "),ncmax.entry,sticky="e")
tkgrid(tklabel(clVFrame,text="IF No", foreground="red"), columnspan=2, sticky="w")
tkgrid(tklabel(clVFrame,text="Number of clusters (Nbc) : "), nctot.entry, sticky="e")
tkgrid(clVFrame, sticky="we")
tkgrid(listFrame, sticky="we")
#
#list
#
modify_command1 <- function() {
clustvar <- clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1]
if (clustvar=="hierarchical"){
tkconfigure(comboBox2, state="normal")
tkconfigure(comboBox, state="normal")
}
else {
tkconfigure(comboBox2, state="disabled")
tkconfigure(comboBox, state="disabled")
}
if ((clustvar=="pam")||(clustvar=="diana")||(clustvar=="hierarchical")){
tkconfigure(comboBox, state="normal")
if ((clustvar=="pam")||(clustvar=="diana")){
tkmessageBox(title="Warning",message="Only Euclidean or Manhattan as disMeth",icon="info",type="ok")
}
}
else {
tkconfigure(comboBox, state="disabled")
}
if ((clustvar=="kmeans"))
tkconfigure(comboBox4, state="normal") else tkconfigure(comboBox4, state="disabled")
}
tclRequire("BWidget")
listFrame <- tkframe(tt, relief="groove", borderwidth=2)
tkgrid(tklabel(listFrame,text=" - Clustering method parameters-", foreground="blue"), columnspan=2, sticky="n")
#clusMeth
#clustvar<-"pam"
clustls <- c("hierarchical","diana","kmeans","pam")
comboBoxclust <- tkwidget(listFrame,text="Method (clustMeth)","ComboBox",editable=FALSE,"-modifycmd",
modify_command1,values=clustls)
clustvar <- clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1]
tkgrid(comboBoxclust,sticky="e")
#disMeth
distancels <- c("euclidean","correlation","manhattan")
comboBox <- tkwidget(listFrame,text="Distance (disMeth)","ComboBox",editable=FALSE,values=distancels, state="disabled")
distancevar <- distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1]
tkgrid(comboBox, sticky="e")
#linkMeth
agglols <- c("ward","single","complet","average", "centroid")
comboBox2 <- tkwidget(listFrame,text="Linkage (linkMeth)","ComboBox",editable=FALSE,values=agglols,state="disabled")
agglovar <- agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1]
tkgrid(comboBox2, sticky="e")
tkgrid(listFrame, sticky="we")
#
# varRT (accepted shift in RT)
#
varRTFrame <- tkframe(tt, relief="groove", borderwidth=2)
tkgrid(tklabel(varRTFrame,text=" - Quality controls of putative molecules -", foreground="blue"), columnspan=2)
varRT.entry <- tkentry(varRTFrame, textvariable=varRTvar, width=4, state="normal")
tkgrid(tklabel(varRTFrame,text="Accepted shift in RT/RI (min) : "), varRT.entry, sticky="w")
#DisMeth if kmeans or pam
qualdiss <- c("euclidean","correlation","manhattan")
comboBox4 <- tkwidget(varRTFrame,text="Distance for Silhouette","ComboBox",editable=FALSE,values=qualdiss,state="disabled")
qualdissvar <- qualdiss[as.numeric(tclvalue(tcl(comboBox4,"getvalue")))+1]
tkgrid(comboBox4, sticky="e")
tkgrid(varRTFrame, sticky="we")
#
# quant variable
#
quantFrame <- tkframe(tt, relief="groove", borderwidth=2)
tkgrid(tklabel(quantFrame,text=" - Additional output -", foreground="blue"), columnspan=2)
quantnf.cbut <- tkcheckbutton(quantFrame,text="Check box to add quantification measures of peak size (->profiling matrix)", variable=quantnfvar )
tkgrid(quantnf.cbut, sticky="we", columnspan=2)
tkgrid(quantFrame, sticky="we", columnspan=2)
#
# Local variables
#
vnr=NULL # Vector of dataframes row numbers
vnc=NULL # Vector of dataframes column numbers
numi=1 # Number of choosed element
done <- tclVar(0) # To terminate the dialog
################################
# Function to reset all dialog elements to default values
################################
"reset" <- function()
{
tclvalue(dirvar)<-""
tclvalue(ncminvar)<-10
tclvalue(ncmaxvar)<-50
tclvalue(nctotvar)<-21
tclvalue(dfvar)<-""
tclvalue(scannfvar)<-"1"
tclvalue(quantnfvar)<-"1"
tclvalue(varRTvar)<-0.1
tclvalue(msclustvar)<-""
tkconfigure(comboBox2, state="disabled")
tkconfigure(comboBox4, state="disabled")
tkconfigure(comboBox, state="disabled")
tkconfigure(dfnr.label, text="")
tkconfigure(dfnc.label, text="")
tclvalue(clustvar1)<-""
}
"build" <- function()
{
if (tclvalue(dfvar) != "") {
df <- parse(text=tclvalue(dfvar))[[1]]
} else {
return(0)
}
#
# Make the command line
#
clustvar1<-clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1]
if (tclvalue(quantnfvar)==1) {
if (clustvar1=="hierarchical"){
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1],clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1],clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
}
else{
if(clustvar1=="kmeans"){
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=qualdiss[as.numeric(tclvalue(tcl(comboBox4,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=qualdiss[as.numeric(tclvalue(tcl(comboBox4,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
}
else{
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=T))
}
}
}
else{
if (clustvar1=="hierarchical"){
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1],clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1],clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
}
else{
if(clustvar1=="kmeans"){
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=qualdiss[as.numeric(tclvalue(tcl(comboBox4,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=qualdiss[as.numeric(tclvalue(tcl(comboBox4,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
}
else{
if (tclvalue(scannfvar)==1) substitute(MS.clust(df,clV=T,ncmin=tclvalue(ncminvar),ncmax=tclvalue(ncmaxvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
else substitute(MS.clust(df,clV=F,Nbc=tclvalue(nctotvar), varRT=tclvalue(varRTvar), disMeth=distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1],linkMeth=NULL,clustMeth=clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1], quant=F))
}
}
}
}
################################
# Function to launch computations
################################
"execcomp" <- function()
{
# Check that the analysis name is not empty and get it
#
if (tclvalue(msclustvar) == "") tkinsert(msclust.entry, "end", "untitled1")
dudiname <- parse(text=paste("\"",tclvalue(msclustvar)[[1]],"\"",sep=""))
#
# Build and display the command line so that the user can check it
#
cmd <- build()
if (cmd == 0) return(0)
pr1 <- substr(options("prompt")$prompt, 1,2)
#cat(eval(dudiname), " <- ", deparse(cmd, width = 256), cat("\n"), pr1, sep="")
#
# Execute the command
#
mydudi <- eval.parent(cmd)
#bringToTop(which=-1)
assign(eval(dudiname), mydudi, envir=as.environment("e1"))
}
"execcomp1" <- function()
{
print(paste(cat("\n")," Processing..."))
execcomp()
#tkmessageBox(title="check",message= paste("disMeth=",distancels[as.numeric(tclvalue(tcl(comboBox,"getvalue")))+1]," \n linkMeth=" , agglols[as.numeric(tclvalue(tcl(comboBox2,"getvalue")))+1]," \n clustMeth=" ,clustls[as.numeric(tclvalue(tcl(comboBoxclust,"getvalue")))+1]),icon="info",type="ok")
tkconfigure(comboBox2, state="disabled")
tkconfigure(comboBox4, state="disabled")
tkconfigure(comboBox, state="disabled")
tkconfigure(comboBoxclust, state="disabled")
tkconfigure(ncmin.entry, state="disabled")
tkconfigure(ncmax.entry, state="disabled")
tkconfigure(nctot.entry, state="disabled")
tkconfigure(submit.but, state="disabled")
tkconfigure(reset.but, state="disabled")
mbox <- tkProgressBar(title = "R progress bar", label = "Processing ...", min = 0, max = 1, initial = 0, width = 300)
Sys.sleep(0.5)
setTkProgressBar(mbox, .5, title ="R progress bar", label = "Please wait ...")
Sys.sleep(0.5)
print("...")
setTkProgressBar(mbox, .15, title ="R progress bar", label = "Processing ...")
tkfocus(tt)
tkdestroy(tt)
setTkProgressBar(mbox, 1, title = "100% Done", label = "100% Done")
Sys.sleep(0.5)
close(mbox)
tkmessageBox(title="Done",message= "Done",icon="info",type="ok")
tkdestroy(tt)
#if (tclvalue(scannfvar)==1)return(0)
}
#
# Reset Cancel and Submit buttons
#
RCSFrame <- tkframe(tt, relief="groove")
reset.but <- tkbutton(RCSFrame, text="Reset", command=reset)
cancel.but <- tkbutton(RCSFrame, text="Cancel", command=function() tkdestroy(tt))
submit.but <- tkbutton(RCSFrame, text="Submit", default="active", command=function() execcomp1())
tkgrid(cancel.but, submit.but, reset.but, ipadx=20)
tkgrid(RCSFrame)
#
# If window is closed by user, terminate the dialog
#
tkbind(tt, "<Destroy>", function() tclvalue(done)<-2)
tkbind(tt, "<KeyPress-Return>", function() execcomp())
tkbind(tt, "<KeyPress-Escape>", function() tkdestroy(tt))
#
# User closed the window
#
if(tclvalue(done)=="2") return()
}
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