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Update readingandfes.R
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@spiwokv
spiwokv authored Mar 12, 2019
1 parent f8181e5 commit f18faf1
Showing 1 changed file with 18 additions and 18 deletions.
36 changes: 18 additions & 18 deletions R/readingandfes.R
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Original file line number Diff line number Diff line change
Expand Up @@ -737,24 +737,24 @@ fes2d21d<-function(hills, remdim=2, temp=300, eunit="kJ/mol",
}
}
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes+fes2$fes, hills=rbind(fes1$hillsfile, fes2$hillsfile), rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes+fes2$fes, hills=rbind(fes1$hills, fes2$hills), rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes+fes2$fes, hills=rbind(fes1$hillsfile, fes2$hillsfile), rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes+fes2$fes, hills=rbind(fes1$hills, fes2$hills), rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(fes1)=="fes") {
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes+fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes+fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes+fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes+fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(fes2)=="fes") {
if(fes2$dimension==1) {
cfes<-list(fes=fes1+fes2$fes, hills=fes2$hillsfile, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1+fes2$fes, hills=fes2$hills, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
if(fes2$dimension==2) {
cfes<-list(fes=fes1+fes2$fes, hills=rbind(fes1$hillsfile,fes2$hillsfile), rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1+fes2$fes, hills=rbind(fes1$hills,fes2$hills), rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
}
class(cfes) <- "fes"
Expand All @@ -781,24 +781,24 @@ fes2d21d<-function(hills, remdim=2, temp=300, eunit="kJ/mol",
cat("Warning: FES obtained by subtraction of two FESes\n")
cat(" will inherit hills only from the first FES\n")
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes-fes2$fes, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes-fes2$fes, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes-fes2$fes, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes-fes2$fes, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(fes1)=="fes") {
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes-fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes-fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes-fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes-fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(fes2)=="fes") {
if(fes2$dimension==1) {
cfes<-list(fes=fes1-fes2$fes, hills=fes2$hillsfile, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1-fes2$fes, hills=fes2$hills, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
if(fes2$dimension==2) {
cfes<-list(fes=fes1-fes2$fes, hills=fes2$hillsfile, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1-fes2$fes, hills=fes2$hills, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
}
class(cfes) <- "fes"
Expand All @@ -811,17 +811,17 @@ fes2d21d<-function(hills, remdim=2, temp=300, eunit="kJ/mol",
stop("Error: You cannot multiply fes by fes")
} else if(class(fes1)=="fes") {
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes*fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes*fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes*fes2, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes*fes2, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(fes2)=="fes") {
if(fes2$dimension==1) {
cfes<-list(fes=fes1*fes2$fes, hills=fes2$hillsfile, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1*fes2$fes, hills=fes2$hills, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
if(fes2$dimension==2) {
cfes<-list(fes=fes1*fes2$fes, hills=fes2$hillsfile, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
cfes<-list(fes=fes1*fes2$fes, hills=fes2$hills, rows=fes2$rows, dimension=fes2$dimension, per=fes2$per, x=fes2$x, y=fes2$y, pcv1=fes2$pcv1, pcv2=fes2$pcv2)
}
}
cat("Warning: multiplication of FES will multiply\n")
Expand All @@ -836,10 +836,10 @@ fes2d21d<-function(hills, remdim=2, temp=300, eunit="kJ/mol",
stop("Error: You cannot divide fes by fes")
} else if(class(fes1)=="fes") {
if(fes1$dimension==1) {
cfes<-list(fes=fes1$fes/coef, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes/coef, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
if(fes1$dimension==2) {
cfes<-list(fes=fes1$fes/coef, hills=fes1$hillsfile, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
cfes<-list(fes=fes1$fes/coef, hills=fes1$hills, rows=fes1$rows, dimension=fes1$dimension, per=fes1$per, x=fes1$x, y=fes1$y, pcv1=fes1$pcv1, pcv2=fes1$pcv2)
}
} else if(class(coef)=="fes") {
stop("Error: You cannot divide something by fes")
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