#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2016 Frederik Heber
#
#    This program is free software: you can redistribute it and/or modify
#    it under the terms of the GNU General Public License as published by
#    the Free Software Foundation, either version 3 of the License, or
#    (at your option) any later version.
#
#    This program is distributed in the hope that it will be useful,
#    but WITHOUT ANY WARRANTY; without even the implied warranty of
#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU General Public License for more details.
#
#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### fill regular grid with surface with minimum distance

AT_SETUP([Filling - Fill regular grid with surface and minimum distance])
AT_KEYWORDS([filling fill-regular-grid add-empty-boundary minimum-distance])

file=amylose_filled_water.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/amylose_straightened_more.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --add-empty-boundary .25,.25,.25 --select-all-atoms --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.pdb --select-molecule-by-order -1 --fill-regular-grid --mesh-size 3 3 12 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 2.5 --min-distance 1. --DoRotate 1 --random-molecule-displacement 0.1], 0, [stdout], [stderr])
AT_CHECK([grep -q "INFO: 57 out of 108 returned true from predicate." stdout], 0)
AT_CHECK([diff -I'.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/$file], 0, [ignore], [ignore])

AT_CLEANUP