### pair correlation analysis to surface

AT_SETUP([Analysis - surface correlation])
AT_KEYWORDS([analysis correlation surface-correlation])

AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/SurfaceCorrelation/pre/test.conf .], 0)
AT_CHECK([../../molecuilder -i test.conf  -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --unselect-all-molecules --select-all-molecules --unselect-molecules-by-formula C3H8 --surface-correlation --elements 1 --output-file output.csv --bin-output-file bin_output.csv --bin-start 0 --bin-width 1. --bin-end 20], 0, [stdout], [stderr])
AT_CHECK([fgrep "Begin of CorrelationToSurface" stdout], 0, [ignore], [ignore])
#AT_CHECK([file=output.csv; diff $file ${abs_top_srcdir}/tests/regression/Analysis/SurfaceCorrelation/post/output.csv], 0, [ignore], [ignore])
AT_CHECK([file=bin_output.csv; diff $file ${abs_top_srcdir}/tests/regression/Analysis/SurfaceCorrelation/post/bin_output.csv], 0, [ignore], [ignore])

AT_CLEANUP