X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_corr_calc_script;h=3913ca1b75c46f778f81c1c59182bb8f4e019154;hb=dba459043b15508734aa055b87ea89ce429bd5e3;hp=27dc0abd2b8eae3a0bae16123f039f9178500ee1;hpb=2d95c5c11703731d2049b8a185f7cff5a6a5b329;p=physik%2Fposic.git

diff --git a/pair_corr_calc_script b/pair_corr_calc_script
index 27dc0ab..3913ca1 100755
--- a/pair_corr_calc_script
+++ b/pair_corr_calc_script
@@ -8,12 +8,8 @@
 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
+	trg=`echo $1 | sed 's%s-%pair_corr-%' | sed 's%.save%%'`
+	mv pair_corr_func.txt $trg
 	echo "done"
 }
 
@@ -27,3 +23,59 @@ if [ -f $1 ]; then
 	do_it $1 $2
 fi
 
+# gnuplot
+
+if [ "$3" = "g" ]; then
+
+pdir=`dirname $1`
+pfile=$pdir/pair_corr.scr
+
+cat > $pfile <<-EOF
+set autoscale 
+unset log 
+unset label 
+set xtic auto 
+set ytic auto 
+set title 'Pair correlation function' 
+set xlabel 'r [A]' 
+set ylabel 'g(r) [a.u.]' 
+set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14 
+set output '$pdir/pair_corr.eps' 
+EOF
+
+echo -en "plot [1.5:3.0] " >> $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 \"ab $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 \"ab $time\"" >> $pfile
+		komma=1
+	fi
+
+done
+
+echo -en "\n" >> $pfile
+
+gnuplot $pfile
+
+fi