# # 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 . # ### distance to vector AT_SETUP([Geometry - distance to vector]) AT_KEYWORDS([geometry distance-to-vector]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/DistanceToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder --dry-run -i $file -v 5 --select-atom-by-id 0 1 --distance-to-vector "testvector" --reverse 1 --unselect-all-atoms --select-atom-by-element C --translate-atoms --position "testvector" --no-dry-run --store-session session-geometry-distance-to-vector.py --session-type python], 0, [ignore], [ignore]) AT_CHECK([grep -v "Command.*DryRun" session-geometry-distance-to-vector.py >session-geometry-distance-to-vector_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilderguitest session-geometry-distance-to-vector_new.py], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/DistanceToVector/post/$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Geometry - distance to vector Undo]) AT_KEYWORDS([geometry distance-to-vector undo]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/DistanceToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder --dry-run -i $file --select-atom-by-id 0 1 --distance-to-vector "testvector" --reverse 1 --undo --unselect-all-atoms --select-atom-by-element C --translate-atoms --position "testvector" --no-dry-run --store-session session-geometry-distance-to-vector.py --session-type python], 0, [ignore], [ignore]) AT_CHECK([grep -v "Command.*DryRun" session-geometry-distance-to-vector.py >session-geometry-distance-to-vector_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilderguitest session-geometry-distance-to-vector_new.py], 5, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Geometry - distance to vector Redo]) AT_KEYWORDS([geometry distance-to-vector undo redo]) file=test.xyz AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/DistanceToVector/pre/$file $file], 0, [ignore], [ignore]) AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder --dry-run -i $file --select-atom-by-id 0 1 --distance-to-vector "testvector" --reverse 1 --undo --redo --unselect-all-atoms --select-atom-by-element C --translate-atoms --position "testvector" --no-dry-run --store-session session-geometry-distance-to-vector.py --session-type python], 0, [ignore], [ignore]) AT_CHECK([grep -v "Command.*DryRun" session-geometry-distance-to-vector.py >session-geometry-distance-to-vector_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilderguitest session-geometry-distance-to-vector_new.py], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/DistanceToVector/post/$file], 0, [ignore], [ignore]) AT_CLEANUP