# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2016 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 . # ### set degree AT_SETUP([Bond - changing multiple degrees]) AT_KEYWORDS([bond set-bond-degree]) file=test_multiple.pdb AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/SetDegree/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file --select-all-atoms --set-bond-degree 2 --saturate-atoms], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/SetDegree/post/test_multiple_degree2.pdb], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Bond - changing multiple degrees with Undo]) AT_KEYWORDS([bond set-bond-degree saturate-atoms undo]) file=test_multiple.pdb AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/SetDegree/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file --select-all-atoms --set-bond-degree 2 --undo --saturate-atoms], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/SetDegree/post/test_multiple_degree1.pdb], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Bond - changing multiple degrees with Redo]) AT_KEYWORDS([bond set-bond-degree saturate-atoms redo]) file=test_multiple.pdb AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/SetDegree/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file --select-all-atoms --set-bond-degree 2 --undo --redo --saturate-atoms], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/SetDegree/post/test_multiple_degree2.pdb], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Bond - changing multiple degrees, not all have bonds]) AT_KEYWORDS([bond set-bond-degree saturate-atoms]) file=test_multiple_fail.pdb AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/SetDegree/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file --select-all-atoms --set-bond-degree 2], 5, [ignore], [ignore]) AT_CLEANUP