#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2015 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/>.
#
### add atom

AT_SETUP([Atoms - saturating nitrogen])
AT_KEYWORDS([atoms saturate-atoms])

file=saturated_nitrogen.xyz
AT_CHECK([../../molecuilder -a 7 --domain-position "10., 10., 10." --select-all-atoms --saturate-atoms --output-as $file], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Saturate/post/], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Atoms - saturating nitrogen with Undo])
AT_KEYWORDS([atoms saturate-atoms undo])

file=nitrogen.xyz
AT_CHECK([../../molecuilder -a 7 --domain-position "10., 10., 10." --select-all-atoms --saturate-atoms --undo --output-as $file], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Saturate/post/], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Atoms - saturating nitrogen with Redo])
AT_KEYWORDS([atoms saturate-atoms redo])

file=saturated_nitrogen.xyz
AT_CHECK([../../molecuilder -a 7 --domain-position "10., 10., 10." --select-all-atoms --saturate-atoms --undo --redo --output-as $file], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Saturate/post/], 0, [ignore], [ignore])

AT_CLEANUP