#
#    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/>.
#
### parsing psi3

AT_SETUP([Parser - saving psi3 from loaded xyz file])
AT_KEYWORDS([parser output psi3 xyz])

file=test.psi
AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/test.xyz --output-as $file], 0, [ignore], [ignore])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/$file], 0, [ignore], [ignore])

AT_CLEANUP