source: tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-none.at@ 1e06ed

#
#    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,
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#    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/>.
#
### MPQC basis

AT_SETUP([Parser - MPQC - set none fails])
AT_KEYWORDS([options mpqc set-mpqc-parameters])

AT_CHECK([../../molecuilder --dry-run -i test.in -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/SetParameters/Mpqc/pre/test.xyz -v 1 --set-parser-parameters "mpqc" --no-dry-run --store-session session-parser-set-parameters-mpqc-none.py --session-type python], 0, [stdout], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-parser-set-parameters-mpqc-none.py >session-parser-set-parameters-mpqc-none_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-parser-set-parameters-mpqc-none_new.py], 5, [stdout], [ignore])

AT_CLEANUP