| 1 | #
|
|---|
| 2 | # MoleCuilder - creates and alters molecular systems
|
|---|
| 3 | # Copyright (C) 2017 Frederik Heber
|
|---|
| 4 | #
|
|---|
| 5 | # This program is free software: you can redistribute it and/or modify
|
|---|
| 6 | # it under the terms of the GNU General Public License as published by
|
|---|
| 7 | # the Free Software Foundation, either version 3 of the License, or
|
|---|
| 8 | # (at your option) any later version.
|
|---|
| 9 | #
|
|---|
| 10 | # This program is distributed in the hope that it will be useful,
|
|---|
| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|---|
| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|---|
| 13 | # GNU General Public License for more details.
|
|---|
| 14 | #
|
|---|
| 15 | # You should have received a copy of the GNU General Public License
|
|---|
| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
|
|---|
| 17 | #
|
|---|
| 18 | ### remove
|
|---|
| 19 |
|
|---|
| 20 | AT_SETUP([Geometry - remove geometry])
|
|---|
| 21 | AT_KEYWORDS([geometry remove-geometry])
|
|---|
| 22 | file=test.xyz
|
|---|
| 23 | AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
|
|---|
| 24 | AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
|
|---|
| 25 | AT_CHECK([../../molecuilder -i $file -v 5 \
|
|---|
| 26 | --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
|
|---|
| 27 | --remove-geometry "testvector" \
|
|---|
| 28 | --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
|
|---|
| 29 | AT_CLEANUP
|
|---|
| 30 |
|
|---|
| 31 | AT_SETUP([Geometry - remove invalid geometry])
|
|---|
| 32 | AT_KEYWORDS([geometry remove-geometry])
|
|---|
| 33 | file=test.xyz
|
|---|
| 34 | AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
|
|---|
| 35 | AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
|
|---|
| 36 | AT_CHECK([../../molecuilder -i $file -v 5 \
|
|---|
| 37 | --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
|
|---|
| 38 | --remove-geometry "zeroVector"], 5, [ignore], [ignore])
|
|---|
| 39 | AT_CLEANUP
|
|---|
| 40 |
|
|---|
| 41 | AT_SETUP([Geometry - remove geometry Undo])
|
|---|
| 42 | AT_KEYWORDS([geometry remove-geometry undo])
|
|---|
| 43 | file=test.xyz
|
|---|
| 44 | AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
|
|---|
| 45 | AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
|
|---|
| 46 | AT_CHECK([../../molecuilder -i $file -v 5 \
|
|---|
| 47 | --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
|
|---|
| 48 | --remove-geometry "testvector" --undo \
|
|---|
| 49 | --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
|
|---|
| 50 | AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/Remove/post/$file], 0, [ignore], [ignore])
|
|---|
| 51 | AT_CLEANUP
|
|---|
| 52 |
|
|---|
| 53 | AT_SETUP([Geometry - remove geometry Redo])
|
|---|
| 54 | AT_KEYWORDS([geometry remove-geometry undo redo])
|
|---|
| 55 | file=test.xyz
|
|---|
| 56 | AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
|
|---|
| 57 | AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
|
|---|
| 58 | AT_CHECK([../../molecuilder -i $file -v 5 \
|
|---|
| 59 | --remove-geometry "testvector" --undo --redo \
|
|---|
| 60 | --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
|
|---|
| 61 | AT_CLEANUP
|
|---|
