library(metadynminer3d) library(abind) res<-c() ala <- acealanme3d fes1<-fes(ala) fes2<-read.plumed3d("fes3d.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3d_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3d_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(F,T,T) fes1<-fes(ala, xlim=c(-4,4)) fes2<-read.plumed3d("fes3dp1.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp1_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp1_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(T,F,T) fes1<-fes(ala, ylim=c(-4,4)) fes2<-read.plumed3d("fes3dp2.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp2_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp2_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(T,T,F) fes1<-fes(ala, zlim=c(-4,4)) fes2<-read.plumed3d("fes3dp3.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp3_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp3_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(F,F,T) fes1<-fes(ala, xlim=c(-4,4), ylim=c(-4,4)) fes2<-read.plumed3d("fes3dp12.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp12_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp12_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(F,T,F) fes1<-fes(ala, xlim=c(-4,4), zlim=c(-4,4)) fes2<-read.plumed3d("fes3dp13.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp13_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp13_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(T,F,F) fes1<-fes(ala, ylim=c(-4,4), zlim=c(-4,4)) fes2<-read.plumed3d("fes3dp23.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp23_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp23_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) ala <- acealanme3d ala$per <- c(F,F,F) fes1<-fes(ala, xlim=c(-4,4), ylim=c(-4,4), zlim=c(-4,4)) fes2<-read.plumed3d("fes3dp123.txt") fes2$fes<-abind(fes2$fes, fes2$fes[1,,], along=1) fes2$fes<-abind(fes2$fes, fes2$fes[,1,], along=2) fes2$fes<-abind(fes2$fes, fes2$fes[,,1], along=3) fes2$x <- fes1$x fes2$y <- fes1$y fes2$z <- fes1$z fes2$rows<-fes2$rows+1 rgl.viewpoint(10, 20) plot(fes1, level=-30) rgl.snapshot(filename="plot3dp123_1.png") rgl.viewpoint(10, 20) plot(fes2, level=-30) rgl.snapshot(filename="plot3dp123_2.png") res<-cbind(res, as.vector(fes2$fes-fes1$fes)) png("errors3d.png") write.table(res, file="table.txt") boxplot(res) dev.off()