Skip to content

GitLab

shinyscreen
shinyscreen
Commit 5a938397 authored by Todor Kondic's avatar Todor Kondic
Browse files
Options

Depict with colour 

* R/mix.R(rendersmiles2): Fix colour.
parent 425160d4
Hide whitespace changes
Inline Side-by-side
Showing with 2 additions and 1 deletion
R/run.R
View file @ 5a938397
...@@ -61,7 +61,8 @@ gen<-function(fnFileTab,fnCmpdList,mode,fnDestFileTable=attch(stripext(fnFiletab ...@@ -61,7 +61,8 @@ gen<-function(fnFileTab,fnCmpdList,mode,fnDestFileTable=attch(stripext(fnFiletab
fnData <- levels(factor(fTab$Files)) fnData <- levels(factor(fTab$Files))
wd <- fTab$wd[match(fnData,fTab$Files)] wd <- fTab$wd[match(fnData,fTab$Files)]
stgsName <- sapply(wd,function(w) paste(wd,".ini",sep = '')) stgsName <- sapply(wd,function(w) paste(wd,".ini",sep = ''))
fnStgs <- file.path(stgsPath,stgsName) fnStgs <- file.path(stgsPath,basename(stgsName))
message(fnStgs[[1]])
## Do the prescreen. ## Do the prescreen.
presc.do(fnData=fnData,wd=wd,fnStgs = fnStgs,fnCmpdList=fnCmpdList,mode=mode,dest=dest,ppm_limit_fine=ppmLimFine,EIC_limit=eicLim,proc=proc,fnLog=fnLog) presc.do(fnData=fnData,wd=wd,fnStgs = fnStgs,fnCmpdList=fnCmpdList,mode=mode,dest=dest,ppm_limit_fine=ppmLimFine,EIC_limit=eicLim,proc=proc,fnLog=fnLog)
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment