# # 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 . # ### add a potentials AT_SETUP([Potential - Add a potential]) AT_KEYWORDS([potential add-potential]) AT_CHECK([../../molecuilder \ --add-potential morse \ --potential-charges 8 1 \ --save-potentials morse.potentials], 0, [stdout], [ignore]) AT_CHECK([grep "morse:.*particle_type1=8,.*particle_type2=1,.*" morse.potentials], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Potential - Add a potential with Undo]) AT_KEYWORDS([potential add-potential undo]) AT_CHECK([../../molecuilder \ --add-potential morse \ --potential-charges 8 1 \ --undo \ --save-potentials morse.potentials], 0, [stdout], [ignore]) AT_CHECK([grep "morse:.*particle_type1=8,.*particle_type2=1,.*" morse.potentials], 1, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Potential - Add a potential with Redo]) AT_KEYWORDS([potential add-potential undo redo]) AT_CHECK([../../molecuilder \ --add-potential morse \ --potential-charges 8 1 \ --undo \ --redo \ --save-potentials morse.potentials], 0, [stdout], [ignore]) AT_CHECK([grep "morse:.*particle_type1=8,.*particle_type2=1,.*" morse.potentials], 0, [ignore], [ignore]) AT_CLEANUP