### fill regular grid

AT_SETUP([Molecules - Fill regular grid])
AT_KEYWORDS([molecules filling fill-regular-grid add-empty-boundary])

file=tensid.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.data $file], 0)
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.potentials .], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --add-empty-boundary "10,10,10" --load water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size "33,33,33" --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance 3.1], 0, [stdout], [stderr])
AT_CHECK([grep "194 out of 194 returned true from predicate" stdout], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/tensid.data], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Molecules - Fill regular grid with Undo])
AT_KEYWORDS([molecules filling fill-regular-grid undo])

file=tensid.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.data $file], 0)
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.potentials .], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --add-empty-boundary "10,10,10" --load water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size "33,33,33" --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance 3.1 --undo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Molecules - Fill regular grid with Redo])
AT_KEYWORDS([molecules filling fill-regular-grid redo])

file=tensid.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.data $file], 0)
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/tensid.potentials .], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --add-empty-boundary "10,10,10" --load water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size "33,33,33" --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance 3.1 --undo --redo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/tensid.data], 0, [ignore], [ignore])

AT_CLEANUP