#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2008-2012 University of Bonn
#
#    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/>.
#
### center atoms in defined domain

AT_SETUP([Domain - setting and centering in domain])
AT_KEYWORDS([domain center-in-box])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --dry-run -i $file  -b "15, 0, 15, 0, 0, 15" --no-dry-run --store-session session-domain-center-in-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-center-in-box.py >session-domain-center-in-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-center-in-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test.conf], 0, [stdout], [stderr])

AT_CLEANUP


AT_SETUP([Domain - setting and centering in domain with Undo])
AT_KEYWORDS([domain center-in-box undo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --dry-run -i $file  -b "15, 0, 15, 0, 0, 15" --undo --no-dry-run --store-session session-domain-center-in-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-center-in-box.py >session-domain-center-in-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-center-in-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test-undo.conf], 0, [stdout], [stderr])

AT_CLEANUP


AT_SETUP([Domain - setting and centering in domain with Redo])
AT_KEYWORDS([domain center-in-box redo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder --dry-run -i $file  -b "15, 0, 15, 0, 0, 15" --undo --redo --no-dry-run --store-session session-domain-center-in-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-center-in-box.py >session-domain-center-in-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-center-in-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test.conf], 0, [stdout], [stderr])

AT_CLEANUP