source: tests/regression/Potential/RemovePotential/testsuite-potential-remove-potential-various_cases.at

#
#    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
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#    (at your option) any later version.
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#    GNU General Public License for more details.
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#
### remove a potentials - various cases

AT_SETUP([Potential - Remove a potential - not present])
AT_KEYWORDS([potential parse-potentials remove-potential])

file=harmonic.potentials
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Potential/RemovePotential/pre/$file $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder \
        --parse-potentials harmonic.potentials \
        --remove-potential morse \ 
                --potential-charges 8 1], 5, [stdout], [ignore])

AT_CLEANUP

AT_SETUP([Potential - Remove a potential - illegal name])
AT_KEYWORDS([potential parse-potentials remove-potential])

AT_CHECK([../../molecuilder \
        --remove-potential illegal_name \ 
                --potential-charges 8 1], 5, [stdout], [ignore])

AT_CLEANUP


AT_SETUP([Potential - Remove a potential - illegal charges])
AT_KEYWORDS([potential parse-potentials remove-potential])

AT_CHECK([../../molecuilder \
        --remove-potential harmonic_bond \ 
                --potential-charges 8 1 1], 5, [stdout], [ignore])

AT_CLEANUP