# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2017 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 . # ### input to vector AT_SETUP([Geometry - input to vector]) AT_KEYWORDS([geometry input-to-vector]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file -v 5 \ --input-to-vector "testvector" --coordinates "1,0,0" \ --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Geometry - input to vector Undo]) AT_KEYWORDS([geometry input-to-vector undo]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file \ --input-to-vector "testvector" --coordinates "1,0,0" --undo \ --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Geometry - input to vector Redo]) AT_KEYWORDS([geometry input-to-vector undo redo]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -i $file \ --input-to-vector "testvector" --coordinates "1,0,0" --undo --redo \ --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore]) AT_CLEANUP