#
# 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 .
#
#
# 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 .
#
### principal axis system
AT_SETUP([Analysis - Principal Axis System])
AT_KEYWORDS([analysis correlation principal-axis-system])
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/PrincipalAxisSystem/pre/water.xyz .], 0)
AT_CHECK([../../molecuilder -i water.xyz -v 3 --select-all-molecules --principal-axis-system], 0, [stdout], [stderr])
AT_CHECK([egrep " with eigenvalues.*0.512674" stdout], 0, [ignore], [ignore])
AT_CHECK([egrep " with eigenvalues.*1.03033" stdout], 0, [ignore], [ignore])
AT_CHECK([egrep " with eigenvalues.*1.54301" stdout], 0, [ignore], [ignore])
AT_CLEANUP