From: Cezary Czaplewski Date: Sun, 5 Apr 2020 07:21:24 +0000 (+0200) Subject: ctest 2 correction X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=86886a26ed819c4ffbebde7161be16224e35b50d ctest 2 correction --- diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 3678a03..66b2536 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/prota_unres_energy_check_mult.sh @@ -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 diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh index 45cdb34..5234ae2 100755 --- a/ctest/prota_unres_energy_check_mult.sh +++ b/ctest/prota_unres_energy_check_mult.sh @@ -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