do_it() {
echo "processing $1 ..."
- ./pair_correlation_calc $1 $2
- trgab=`echo $1 | sed 's%s-%pair_corr_ab-%' | sed 's%.save%%'`
- trgaa=`echo $1 | sed 's%s-%pair_corr_aa-%' | sed 's%.save%%'`
- trgbb=`echo $1 | sed 's%s-%pair_corr_bb-%' | sed 's%.save%%'`
- mv pair_corr_func_ab.txt $trgab
- mv pair_corr_func_aa.txt $trgaa
- mv pair_corr_func_bb.txt $trgbb
+ ./pair_correlation_calc $2 $1
+ trg=`echo $1 | sed 's%s-%pair_corr-%' | sed 's%.save%%'`
+ mv pair_corr_func.txt $trg
echo "done"
}
do_it $1 $2
fi
+# gnuplot
+
+if [ "$3" = "g" ]; then
+
+if [ -d $1 ]; then
+ pdir=$1
+else
+ pdir=`dirname $1`
+fi
+pfile=$pdir/pair_corr.scr
+
+cat > $pfile <<-EOF
+set autoscale
+unset log
+unset label
+set xtic auto
+set ytic auto
+set title 'Pair correlation function'
+set xlabel 'r [A]'
+set ylabel 'g(r) [a.u.]'
+unset ytics
+set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14
+set output '$pdir/pair_corr.eps'
+EOF
+
+echo -en "plot [1.0:6.0] " >> $pfile
+
+komma=0
+
+for i in $pdir/pair_corr-*; do
+
+ time=`basename $i | awk -F- '{print $2}'`
+
+ if [ ! -z `echo $4 | grep a` ]; then
+ [ "$komma" = "1" ] &&
+ echo -en ", " >> $pfile
+ echo -en "\"$i\" u 1:2 w l t \"ab $time\"" >> $pfile
+ komma=1
+ fi
+
+ if [ ! -z `echo $4 | grep b` ]; then
+ [ "$komma" = "1" ] &&
+ echo -en ", " >> $pfile
+ echo -en "\"$i\" u 1:3 w l t \"aa $time\"" >> $pfile
+ komma=1
+ fi
+
+ if [ ! -z `echo $4 | grep c` ]; then
+ [ "$komma" = "1" ] &&
+ echo -en ", " >> $pfile
+ echo -en "\"$i\" u 1:4 w l t \"bb $time\"" >> $pfile
+ komma=1
+ fi
+
+done
+
+echo -en "\n" >> $pfile
+
+gnuplot $pfile
+
+fi