#
# 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 .
#
#
# 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 .
#
### 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 -i $file -b "15, 0, 15, 0, 0, 15"], 0, [stdout], [stderr])
AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
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 -i $file -b "15, 0, 15, 0, 0, 15" --undo], 0, [stdout], [stderr])
AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore])
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 -i $file -b "15, 0, 15, 0, 0, 15" --undo --redo], 0, [stdout], [stderr])
AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test.conf], 0, [stdout], [stderr])
AT_CLEANUP