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#!/bin/bash
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export LANG=C
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if [ $# -lt 1 ]; then
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 echo "Use: $0 File.out  [PES] [T]"
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 exit
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fi
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Fout=$1
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ItMax=`grep MAXCYC $Fout | tail -1 | awk '{print $3}'`
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Nom=`grep PATHNAME $Fout | tail -1 | awk '{print $3}'`
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PES=$2
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Tgt=$3
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WDir=`dirname $0`
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NomGplot=${Nom}_p.gplot
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if [ ! -s list ]; then
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 echo "File list is missing"
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 exit
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fi
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if [ -s ${Nom}_cart.0 ]; then
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 Ext=_cart
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elif [ -s ${Nom}.0 ]; then
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 Ext=""
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else
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 echo "Cannot find ${Nom}.0 nor ${Nom}_cart.0 -- ERROR"
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 exit
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fi
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awk -f $WDir/Dep_tgt.awk $Fout 
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cat <<EOF > $NomGplot
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#!/usr/bin/gnuplot -persist
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 set term x11
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 set pointsize 2
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 set origin 0.,0.
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 set size square 1
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EOF
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let ItM=ItMax-1
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for i in `seq 0 $ItM`
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  do
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 xyz2scan ${Nom}${Ext}.${i} > /dev/null
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 mv Scan.dat ${Nom}_${i}.dat
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if [ "$Ext" = "" ]; then
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# We are analysing a calculation done in cartesian. 
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# We have to  analyse the spline file and maybe also the tangent file.
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 if [ -s ${Nom}_spline.${i} ]; then
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   xyz2scan ${Nom}_spline.${i}  > /dev/null
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   mv Scan.dat  ${Nom}_spline_${i}.dat
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 fi
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 if [  -s ${Nom}_dbgtgt.${i} ]; then
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   xyz2scan ${Nom}_dbgtgt.${i}  > /dev/null
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   mv Scan.dat  ${Nom}_dbgtgt_${i}.dat
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 fi
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fi
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 cat <<EOF >>  $NomGplot
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 clear
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 set xrange [1.:2.5]
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 set yrange [-10:190]
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 plot "HCN_irc.dat" u 1:3 t "IRC" w l ls 1
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EOF
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 if [ "$PES" != "" ]; then
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  echo "replot \"HCN_PES_2D.dat\" u 1:2 t \"\" w l ls 2, \"HCN_PES_2D.dat\" u 1:(-\$2) t \"\" w l ls 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) t \"\" w l ls 2" >> $NomGplot
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 fi
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 if [ "$Ext" = "_cart" ]; then
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   if [ -s ${Nom}_spline.${i} ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p  ls 5" >> $NomGplot
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     echo "replot \"${Nom}_spline.${i}\" u 2:4  t \"Spline\" w l ls 5" >> $NomGplot
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   elif [  -s ${Nom}_dbgtgt.${i} ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt.${i}\" u 2:(\$4*180./pi) t \"Tangents\" w l ls 4" >> $NomGplot
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   else
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   fi
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 else
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   if [ -s ${Nom}_spline_${i}.dat ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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     echo "replot \"${Nom}_spline_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   elif [  -s ${Nom}_dbgtgt_${i}.dat ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 1:3 w l ls 4" >> $NomGplot
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   else
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   fi
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 fi
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 if [ "$Tgt" != "" ]; then
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  echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l ls 1" >> $NomGplot
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 fi
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 echo "pause -1" >> $NomGplot
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 done
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 let i=ItMax
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 xyz2scan ${Nom}${Ext}.${i} > /dev/null
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 mv Scan.dat ${Nom}_${i}.dat
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 cat <<EOF >>  $NomGplot
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 clear
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 set xrange [1.:2.5]
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 set yrange [-10:190]
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 plot "HCN_irc.dat" u 1:3 t " IRC" w l ls 1
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EOF
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 if [ "$PES" != "" ]; then
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  echo "replot \"HCN_PES_2D.dat\" u 1:2  t \"\" w l ls 2, \"HCN_PES_2D.dat\" u 1:(-\$2)  t \"\" w l ls 2,\"HCN_PES_2D.dat\" u 1:(360-\$2)  t \"\" w l ls 2" >> $NomGplot
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 fi
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 if [ -s ${Nom}_spline.${i} ]; then
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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 echo "replot \"${Nom}_spline.${i}\" u 2:4 w l ls 5" >> $NomGplot
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 elif [  -s ${Nom}_dbgtgt_${i}.dat ]; then
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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 echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l ls 4" >> $NomGplot
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 else
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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fi
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 echo "pause -1" >> $NomGplot
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chmod u+x $NomGplot
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echo "./$NomGplot      to see the path"