From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 21 Aug 2008 11:36:11 +0000 (+0200)
Subject: modified bond analyze + added a script
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=1658269dc35c91b7a55d818d68a2250dc77ef1e8;p=physik%2Fposic.git

modified bond analyze + added a script
---

diff --git a/bond_analyze.c b/bond_analyze.c
index 6c46251..f9337fd 100644
--- a/bond_analyze.c
+++ b/bond_analyze.c
@@ -55,7 +55,8 @@ int main(int argc,char **argv) {
 	/* analyzing ... */
 	bond_analyze(&moldyn,quality);
 
-	printf("[bond analyze] quality = %f | %f\n",quality[0],quality[1]);
+	printf("[bond analyze] t: %f | quality = %f | %f\n",
+               moldyn.time,quality[0],quality[1]);
 
 	moldyn_free_save_file(&moldyn);
 
diff --git a/bond_analyze_script b/bond_analyze_script
new file mode 100755
index 0000000..6b5736f
--- /dev/null
+++ b/bond_analyze_script
@@ -0,0 +1,19 @@
+#!/bin/bash
+
+if [ ! -d $1 ]; then
+	echo "$1 is not a directory"
+	exit 1
+fi
+
+echo "processing $1 ..."
+
+rm -f $1/bond_analyze.txt
+
+for i in $1/*.save; do
+	bai="`./bond_analyze $i | grep '\[bond' | grep quality`"
+	time=`echo $bai | awk '{ print $4 }'`
+	quality=`echo $bai | awk '{ print $8 }'`
+	echo "$time $quality" >> $1/bond_analyze.txt
+done
+
+echo "done"