source: tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at

#
#    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 tremolo

AT_SETUP([Parser - saving tremolo file from loaded xyz file with potentials])
AT_KEYWORDS([parser tremolo save parse-particle-parameters])

AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/argon.potentials .], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder -v 2 --parse-particle-parameters argon.potentials -i test.data -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/test.xyz], 0, [ignore], [ignore])
AT_CHECK([file=test.data; diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/post/test.data], 0, [ignore], [ignore])

AT_CLEANUP