# # 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 . # ### change the element AT_SETUP([Atoms - Changing element]) AT_KEYWORDS([atoms change-element]) file=test.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 ], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Atoms - Changing element with Undo]) AT_KEYWORDS([atoms change-element undo]) file=test.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test-undo.xyz], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Atoms - Changing element with Redo]) AT_KEYWORDS([atoms change-element redo]) file=test.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo --redo], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore]) AT_CLEANUP