root / examples / Test / Zmat / Dep_tscan_movie @ 1
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| 1 | 1 | equemene | #!/bin/bash |
|---|---|---|---|
| 2 | 1 | equemene | export LANG=C |
| 3 | 1 | equemene | if [ $# -lt 3 ]; then |
| 4 | 1 | equemene | echo "Use: $0 File.out MaxCyc PathName [PES] [T]" |
| 5 | 1 | equemene | exit |
| 6 | 1 | equemene | fi |
| 7 | 1 | equemene | Fout=$1 |
| 8 | 1 | equemene | ItMax=$2 |
| 9 | 1 | equemene | Nom=$3 |
| 10 | 1 | equemene | PES=$4 |
| 11 | 1 | equemene | Tgt=$5 |
| 12 | 1 | equemene | |
| 13 | 1 | equemene | NGplot=${Nom}_movie.gplot
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| 14 | 1 | equemene | |
| 15 | 1 | equemene | # For gif files (that may be joined into an mpeg) |
| 16 | 1 | equemene | Term=gif |
| 17 | 1 | equemene | Ext=gif |
| 18 | 1 | equemene | # For postscript eps files |
| 19 | 1 | equemene | #Term="postscript eps enhanced color solid" |
| 20 | 1 | equemene | #Ext=eps |
| 21 | 1 | equemene | # DefTerm is the default terminal (=screen) |
| 22 | 1 | equemene | # wxt is better for Linux, but x11 is more general |
| 23 | 1 | equemene | DefTerm=x11 |
| 24 | 1 | equemene | if [ ! -s list ]; then |
| 25 | 1 | equemene | echo "File list is missing" |
| 26 | 1 | equemene | exit |
| 27 | 1 | equemene | fi |
| 28 | 1 | equemene | awk -f Dep_tgt.awk $Fout |
| 29 | 1 | equemene | cat <<EOF > $NGplot |
| 30 | 1 | equemene | #!/usr/bin/gnuplot |
| 31 | 1 | equemene | set xrange [1.:2.25] |
| 32 | 1 | equemene | set yrange [-10:190] |
| 33 | 1 | equemene | set pointsize 2 |
| 34 | 1 | equemene | set style line 1 linetype 3 pointtype 3 linewidth 3 |
| 35 | 1 | equemene | unset key |
| 36 | 1 | equemene | set term $DefTerm |
| 37 | 1 | equemene | EOF |
| 38 | 1 | equemene | let ItM=ItMax-1 |
| 39 | 1 | equemene | for i in `seq 0 $ItM` |
| 40 | 1 | equemene | do |
| 41 | 1 | equemene | xyz2scan ${Nom}_cart.${i} > /dev/null
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| 42 | 1 | equemene | mv Scan.dat ${Nom}_${i}.dat
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| 43 | 1 | equemene | echo "plot \"HCN_irc.dat\" u 1:3 w l lw 2" >> ${NGplot}
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| 44 | 1 | equemene | if [ "$PES" != "" ]; then |
| 45 | 1 | equemene | echo "replot \"HCN_PES_2D.dat\" u 1:2 w l 2, \"HCN_PES_2D.dat\" u 1:(-\$2) w l 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) w l 2" >> ${NGplot}
|
| 46 | 1 | equemene | fi |
| 47 | 1 | equemene | if [ -s ${Nom}_spline.${i} ]; then
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| 48 | 1 | equemene | echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 1" >> ${NGplot}
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| 49 | 1 | equemene | echo "replot \"${Nom}_spline.${i}\" u 2:4 w l ls 1" >> ${NGplot}
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| 50 | 1 | equemene | elif [ -s ${Nom}_dbgtgt_${i}.dat ]; then
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| 51 | 1 | equemene | echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 1" >> ${NGplot}
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| 52 | 1 | equemene | echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l ls 1" >> ${NGplot}
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| 53 | 1 | equemene | else |
| 54 | 1 | equemene | echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 1" >> ${NGplot}
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| 55 | 1 | equemene | fi |
| 56 | 1 | equemene | if [ "$Tgt" != "" ]; then |
| 57 | 1 | equemene | echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l" >> ${NGplot}
|
| 58 | 1 | equemene | fi |
| 59 | 1 | equemene | IMov=`echo $i | awk '{ It="000" $1; l=length(It); print substr(It,l-2,3)}' `
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| 60 | 1 | equemene | cat <<EOF >> ${NGplot}
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| 61 | 1 | equemene | pause 0.5 |
| 62 | 1 | equemene | set term $Term |
| 63 | 1 | equemene | set output "${Nom}_${IMov}.$Ext"
|
| 64 | 1 | equemene | replot |
| 65 | 1 | equemene | unset output |
| 66 | 1 | equemene | set term $DefTerm |
| 67 | 1 | equemene | EOF |
| 68 | 1 | equemene | done |
| 69 | 1 | equemene | let i=ItMax |
| 70 | 1 | equemene | awk -f Path2dat.awk ${Nom}.${i} > ${Nom}_${i}.dat
|
| 71 | 1 | equemene | echo "plot \"HCN_irc.dat\" u 1:3 w l lw 2" >> ${NGplot}
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| 72 | 1 | equemene | if [ "$PES" != "" ]; then |
| 73 | 1 | equemene | echo "replot \"HCN_PES_2D.dat\" u 1:2 w l 2, \"HCN_PES_2D.dat\" u 1:(-\$2) w l 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) w l 2" >> ${NGplot}
|
| 74 | 1 | equemene | fi |
| 75 | 1 | equemene | echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 1" >> ${NGplot}
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| 76 | 1 | equemene | IMov=`echo $i | awk '{ It="000" $1; l=length(It); print substr(It,l-2,3)}' `
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| 77 | 1 | equemene | cat <<EOF >> ${NGplot}
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| 78 | 1 | equemene | set term $Term |
| 79 | 1 | equemene | set output "${Nom}_${IMov}.$Ext"
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| 80 | 1 | equemene | replot |
| 81 | 1 | equemene | unset output |
| 82 | 1 | equemene | set term $DefTerm |
| 83 | 1 | equemene | EOF |
| 84 | 1 | equemene | |
| 85 | 1 | equemene | echo "./${NGplot} to see the path"
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| 86 | 1 | equemene | chmod u+x ./${NGplot} |