source: tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.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/>.
#
### linear interpolation

AT_SETUP([Molecules - Linear interpolation])
AT_KEYWORDS([molecules linear-interpolation-of-trajectories])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/LinearInterpolationofTrajectories/pre/test.conf $file], 0)
AT_CHECK([../../molecuilder -i $file  --select-all-atoms --linear-interpolation-of-trajectories --start-step 0 --interpolation-steps 9 --end-step 1 --id-mapping 1 -S teststep.conf], 0, [stdout], [stderr])
AT_CHECK([fgrep -c 'Ion_Type1_1' teststep.conf], 0, [10
], [ignore])
AT_CHECK([diff teststep.conf ${abs_top_srcdir}/tests/regression/Molecules/LinearInterpolationofTrajectories/post/teststep.conf], 0, [ignore], [ignore])

AT_CLEANUP