#
#    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/>.
#
### Storing temperature

AT_SETUP([Molecules - Save selected molecules])
AT_KEYWORDS([molecules save selection save-selected-molecules])

file=test.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/pre/test.xyz $file], 0)
AT_CHECK([../../molecuilder --dry-run -i $file -I --select-molecule-by-order 1 -s testsave.xyz --no-dry-run --store-session session-molecules-save-selected-molecules.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-molecules-save-selected-molecules.py >session-molecules-save-selected-molecules_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-molecules-save-selected-molecules_new.py], 0, [stdout], [stderr])
AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/post/testsave.xyz], 0, [ignore], [ignore])

AT_CLEANUP