#!/bin/bash
qnumax=1

v0endj=11
v1endj=7
col=2
title="QD Cu(111)"
if [ ! -d PLOTS ]; then 
  mkdir PLOTS
fi

for (( qnu=0; qnu <= $qnumax; qnu++ ))
do
  if [ $qnu -eq 0 ]; 
  then
    qjmax=$v0endj
  fi
  if [ $qnu -eq 1 ];
  then
    qjmax=$v1endj
  fi
  for (( qj=0; qj <= $qjmax; qj++ ))
  do
    for (( qmj=0; qmj <= $qj; qmj++ ))
    do

      #generate plotcommands for all m_j
      if [ $qmj != $qj ]; then
        plotcom+=" \"fully.state.resolved\" u 1:${col} w l title\"m_J = $qmj\" lw 2,"
      else 
        plotcom+=" \"fully.state.resolved\" u 1:${col} w l title\"m_J = $qmj\" lw 2"
      fi
      ((col++))
    
#---------------------------------------------------------
    done #qmj

echo
echo "now at state:"
echo " qnu = $qnu   qj= $qj    plotcom= $plotcom "

gnuplot<<EOF
set title" ${title}  -- state v = $qnu  J = $qj "
set xrange[0:1.4]
set yrange[-0.1:1.1]
set xlabel"translational energy [eV]"
set ylabel"reaction probability"
set terminal postscript enhanced color landscape
set output "v${qnu}j${qj}.ps"
plot $plotcom
EOF
ps2pdf v${qnu}j${qj}.ps
rm v${qnu}j${qj}.ps
pdfs+="v${qnu}j${qj}.pdf "
#reset plot command
plotcom=""
#-------------------------------------------------------------------
  done #1j
done
pdfunite $pdfs fully.state.resolved.pdf


echo
echo "DegAve"
#-------------------------------------------------------------------
pdfs=""
col=2
#plot degeneracy averaged
for (( qnu=0; qnu <= $qnumax; qnu++ ))
do
  if [ $qnu -eq 0 ]; 
  then
    qjmax=$v0endj
  fi
  if [ $qnu -eq 1 ];
  then
    qjmax=$v1endj
  fi
  for (( qj=0; qj <= $qjmax; qj++ ))
  do

    if [ $qj != $qjmax ]; then
      plotcom+=" \"ALL.degeneracy.averaged\" u 1:${col} w l title\"J = $qj \" lw 2,"
    else
      plotcom+=" \"ALL.degeneracy.averaged\" u 1:${col} w l title\"J = $qj \" lw 2"
    fi
    ((col++))

  done #qj
#-=------------- plot per qvu
gnuplot<<EOF
set title" ${title}  -- state v = $qnu  \n Degeneracy averaged reaction probabilities "
set xrange[0:1.65]
set yrange[-0.1:1.1]
set xlabel"translational energy [eV]"
set ylabel"reaction probability"
set terminal postscript enhanced color landscape
set output "DegAve-v${qnu}.ps"
plot $plotcom
EOF
ps2pdf DegAve-v${qnu}.ps
rm DegAve-v${qnu}.ps
pdfs+="DegAve-v${qnu}.pdf "
pdfunite $pdfs DegAve.pdf
echo "plotcom="
echo $plotcom 
echo
plotcom=""
#----------------------------------------
done #qnu

#-------------------------------------------
#rotational quadrupole alignment parameter
echo "RotQuad"
col=2
pdfs=""
for (( qnu=0; qnu <= $qnumax; qnu++ ))
do 
  if [ $qnu -eq 0 ];
  then
    qjmax=$v0endj
  fi
  if [ $qnu -eq 1 ];
  then
    qjmax=$v1endj
  fi
  for (( qj=1; qj <= $qjmax; qj++ ))
  do

    if [ $qj != $qjmax ]; then
      if [ "$qj" -gt "9" ]; then #to make sure the (2) is plotted nicely
        plotcom+=" \"ALL.quadrupole\" u 1:${col} w lp title\"A_{0}^{(2)}($qj)\" ,"
      else
        plotcom+=" \"ALL.quadrupole\" u 1:${col} w l title\"A_{0}^{(2)}(  $qj)\" lw 2,"
      fi
    else
      if [ "$qj" -gt "9" ]; then
        plotcom+=" \"ALL.quadrupole\" u 1:${col} w lp title\"A_{0}^{(2)}($qj)\" "
      else
        plotcom+=" \"ALL.quadrupole\" u 1:${col} w l title\"A_{0}^{(2)}(  $qj)\" lw 2"
      fi
    fi
    ((col++))

  done #qj
  #now plot per qnu
  if [ $qnu == 0 ]; then
    emin=0.6
  fi
  if [ $qnu == 1 ]; then
    emin=0.3
  fi

gnuplot<<EOF
set termopt enhanced
set title" ${title}  -- state v = $qnu  \n Rotational Quadrupole Alignment parameter"
set xrange[${emin}:1.45]
set xlabel"translational energy [eV]"
set ylabel"Quadrupole Alignment parameter"
set terminal postscript enhanced color landscape
set output "RotQuad-v${qnu}.ps"
plot $plotcom
EOF
echo "plotcom="
echo $plotcom
plotcom=""
ps2pdf RotQuad-v${qnu}.ps
rm RotQuad-v${qnu}.ps
pdfs+="RotQuad-v${qnu}.pdf "
pdfunite $pdfs RotQuad.pdf
done #qnu

pdfunite fully.state.resolved.pdf DegAve.pdf RotQuad.pdf out.pdf

cp *.pdf PLOTS/.
rm *.pdf