#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2017 Frederik Heber
#
#    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.
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#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
# Force Annealing with Ising model

AT_SETUP([Python externalization - Force Annealing with Ising])
AT_KEYWORDS([python force-annealing ising])

# we use forces from a simple Ising model with 5 "carbon" atoms in a row along the x axis

file=five_carbon_test.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/$file $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/five_carbon_test.py ./$file ./], 0, [stdout], [ignore])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/$file], 0, [ignore], [ignore])

AT_CLEANUP