#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2025 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.
#
#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### add a potentials - various cases

AT_SETUP([Potential - Add a potential - present potential])
AT_KEYWORDS([potential parse-potentials add-potential])

# add an already present potential fails
file=harmonic.potentials
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Potential/AddPotential/pre/$file $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder 	--parse-potentials harmonic.potentials 	--add-potential harmonic_bond \ 
		--potential-charges 8 1 	--save-potentials morse.potentials], 5, [stdout], [ignore])

AT_CLEANUP


AT_SETUP([Potential - Add a potential - ill-legal name])
AT_KEYWORDS([potential add-potential])

# adding a potential with an unknown/illegal name fails
AT_CHECK([../../molecuilder 	--add-potential illegal_potential_name \ 
		--potential-charges 8 1], 5, [stdout], [ignore])

AT_CLEANUP


AT_SETUP([Potential - Add a potential - wrong charges])
AT_KEYWORDS([potential add-potential])

# adding a potential with wrong number of charges fails
AT_CHECK([../../molecuilder 	--add-potential harmonic_bond \ 
		--potential-charges 8 1 1], 5, [stdout], [ignore])

AT_CLEANUP