### tartaric_acid

AT_SETUP([Tesselations - tartaric_acid])
AT_KEYWORDS([tesselation non-convex-envelope])

mol=tartaric_acid

file=${mol}.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/Tesselations/${mol}/pre/$file $file], 0)
AT_CHECK([chmod u+w $file], 0)

for RADIUS in  1.5 2 2.5 3 3.5 4 25; do
	output=NonConvexEnvelope-${mol}-${RADIUS}.dat
	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -N ${RADIUS} --nonconvex-file $output], 0, [stdout], [stderr])
	AT_CHECK([grep -E "^[0-9]* [0-9]* [0-9]*$" ${abs_top_srcdir}/tests/Tesselations/${mol}/post/$output | sort -n >reference-triangles.dat], 0, [ignore], [ignore])
	AT_CHECK([grep -E "^[0-9]* [0-9]* [0-9]*$" $output | sort -n >new-triangles.dat], 0, [ignore], [ignore])
	AT_CHECK([diff reference-triangles.dat new-triangles.dat], 0, [ignore], [ignore])
done

AT_CLEANUP