added count column to bond_analyze code

diff --git a/bond_analyze.c b/bond_analyze.c
index f9337fd..3992894 100644 (file)
--- a/bond_analyze.c
+++ b/bond_analyze.c
@@ -55,8 +55,8 @@ int main(int argc,char **argv) {
        /* analyzing ... */
        bond_analyze(&moldyn,quality);
 
-       printf("[bond analyze] t: %f | quality = %f | %f\n",
-               moldyn.time,quality[0],quality[1]);
+       printf("[bond analyze] t: %f | quality = %f | %f | %d\n",
+               moldyn.time,quality[0],quality[1],moldyn.count);
 
        moldyn_free_save_file(&moldyn);
 

diff --git a/bond_analyze_script b/bond_analyze_script
index 6b5736f..e06c7ec 100755 (executable)
--- a/bond_analyze_script
+++ b/bond_analyze_script
@@ -13,7 +13,8 @@ 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
+       count=`echo $bai | awk '{ print $12 }'`
+       echo "$time $quality $count" >> $1/bond_analyze.txt
 done
 
 echo "done"