### pair correlation analysis

AT_SETUP([Analysis - pair correlation])
AT_KEYWORDS([analysis,correlation])
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation/pre/test.conf .], 0)
AT_CHECK([../../molecuilder -i test.conf  -v 3 --select-all-molecules --pair-correlation --elements 1 8 --output-file output.csv --bin-output-file bin_output.csv --bin-start 0 --bin-end 20], 0, [stdout], [stderr])
AT_CHECK([fgrep "Begin of PairCorrelation" stdout], 0, [ignore], [ignore])
#AT_CHECK([file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation/post/$file], 0, [ignore], [ignore])
AT_CHECK([file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation/post/$file], 0, [ignore], [ignore])
AT_CLEANUP