ctest 2 correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 5 Apr 2020 07:21:24 +0000 (09:21 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 5 Apr 2020 07:21:24 +0000 (09:21 +0200)
ctest/newcorr/prota_unres_energy_check_mult.sh
ctest/prota_unres_energy_check_mult.sh

index 3678a03..66b2536 100755 (executable)
@@ -310,7 +310,8 @@ fi
 #myene=`echo $blaene |bc`
 #diff=`echo $myene"+("$expectenergy")"|bc`
 #absdiff=`echo $diff| sed 's/-//'`
-absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print $grepene+$expectenergy}"`
+myene=$grepene
+absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print abs($grepene+$expectenergy)}"`
 
 true1=`echo "$absdiff >= $extremediff"|bc`
 if [ $true1 -eq 1 ]; then
index 45cdb34..5234ae2 100755 (executable)
@@ -310,7 +310,8 @@ fi
 #myene=`echo $blaene |bc`
 #diff=`echo $myene"+("$expectenergy")"|bc`
 #absdiff=`echo $diff| sed 's/-//'`
-absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print $grepene+$expectenergy}"`
+myene=$grepene
+absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print abs($grepene+$expectenergy)}"`
 
 true1=`echo "$absdiff >= $extremediff"|bc`
 if [ $true1 -eq 1 ]; then