### 1. filling with molecule
AT_SETUP([Filling - filling box around molecule's surface])
AT_KEYWORDS([filling])
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/pre/test.conf .], 0)
AT_DATA([water.xyz], [[3
 # test configuration, created by molecuilder test suite
O       0.      0.      0.
H       0.758602 0.     0.504284 
H       0.758602 0.     -0.504284 
]])
AT_CHECK([../../molecuilder -i test.conf  -v 3 -F water.xyz --MaxDistance -1 --distances "3.1, 3.1, 3.1"  --distance-to-molecule "2.1" --DoRotate 0], 0, [stdout], [stderr])
AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/post/$file], 0, [ignore], [ignore])
AT_CLEANUP