# # 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 . # ### Removing atoms inside sphere AT_SETUP([Atoms - Save selected atoms]) AT_KEYWORDS([atoms save selection save-selected-atoms]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/SaveSelectedAtoms/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz --select-atom-by-id 0 --save-selected-atoms testsave.xyz], 0, [stdout], [stderr]) AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/tests/regression/Atoms/SaveSelectedAtoms/post/testsave.xyz], 0, [ignore], [ignore]) AT_CLEANUP