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#!/bin/bash
########################################################################
# result = actual result obtained
# expected = results based on default test config
# testfile = name of the .in file used in this run
########################################################################
result=$1
expected=$2
testfile=$3
logfile=$4
# Error tolerance as a percentage of
errortol=0.0001
error=`echo $result $expected | awk '{printf("%.12f",(($1 - $2)*100)/$2)}'`
relativeError=`echo $error | awk '{$1 = ($1 < 0) ? -$1 : $1; print}'`
r=`echo $result $expected $relativeError $errortol | awk '{if($1 == $2) print 1; else if($3 < $4) print 2; else print 3}'`
case "$r" in
1) echo "*** PASSED ***"
echo "$testfile: PASSED ($result)" >> $logfile
;;
2) echo "*** PASSED (with rounding error - see log) ***"
echo "$testfile: PASSED within error ($result; expected $expected; $relativeError% error)" >> $logfile
;;
3) echo "*** FAILED ***"
echo " APBS returned $result"
echo " Expected result is $expected ($error% error)"
echo "$testfile: FAILED ($result; expected $expected; $relativeError% error)" >> $logfile
;;
esac
exit 0
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