#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 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/>.
#
#
#    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/>.
#
### stretching bond

AT_SETUP([Molecules - Stretching bond])
AT_KEYWORDS([molecules stretch-bond])

file=ethane.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/pre/$file $file], 0)
AT_CHECK([chmod +w $file], 0)
AT_CHECK([../../molecuilder -i $file -I --select-atom-by-element 6 --stretch-bond 2.], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/post/$file], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Molecules - Stretching bond with Undo])
AT_KEYWORDS([molecules stretch-bond undo])

file=ethane.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/pre/$file $file], 0)
AT_CHECK([chmod +w $file], 0)
AT_CHECK([../../molecuilder -i $file -I --select-atom-by-element 6 --stretch-bond 2. --undo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/pre/$file], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Molecules - Stretching bond with Redo])
AT_KEYWORDS([molecules stretch-bond redo])

file=ethane.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/pre/$file $file], 0)
AT_CHECK([chmod +w $file], 0)
AT_CHECK([../../molecuilder -i $file -I --select-atom-by-element 6 --stretch-bond 2. --undo --redo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/StretchBond/post/$file], 0, [ignore], [ignore])

AT_CLEANUP