| 1 | #
|
|---|
| 2 | # MoleCuilder - creates and alters molecular systems
|
|---|
| 3 | # Copyright (C) 2008-2012 University of Bonn
|
|---|
| 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 | ### copy molecule
|
|---|
| 19 |
|
|---|
| 20 | AT_SETUP([Molecules - Copy molecule])
|
|---|
| 21 | AT_KEYWORDS([molecules copy-molecule])
|
|---|
| 22 | AT_XFAIL_IF([/bin/true])
|
|---|
| 23 |
|
|---|
| 24 | file=test-copy.xyz
|
|---|
| 25 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
|
|---|
| 26 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 27 | AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
|
|---|
| 28 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
|
|---|
| 29 |
|
|---|
| 30 | file=tensid.data
|
|---|
| 31 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
|
|---|
| 32 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
|
|---|
| 33 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 34 | AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
|
|---|
| 35 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
|
|---|
| 36 |
|
|---|
| 37 | AT_CLEANUP
|
|---|
| 38 |
|
|---|
| 39 |
|
|---|
| 40 | AT_SETUP([Molecules - Copy molecule with Undo])
|
|---|
| 41 | AT_KEYWORDS([molecules copy-molecule undo])
|
|---|
| 42 |
|
|---|
| 43 | file=test-copy.xyz
|
|---|
| 44 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
|
|---|
| 45 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 46 | AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
|
|---|
| 47 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-undo.xyz], 0, [ignore], [ignore])
|
|---|
| 48 |
|
|---|
| 49 | file=tensid.data
|
|---|
| 50 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
|
|---|
| 51 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
|
|---|
| 52 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 53 | AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
|
|---|
| 54 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data], 0, [ignore], [ignore])
|
|---|
| 55 |
|
|---|
| 56 | AT_CLEANUP
|
|---|
| 57 |
|
|---|
| 58 |
|
|---|
| 59 | AT_SETUP([Molecules - Copy molecule with Redo])
|
|---|
| 60 | AT_KEYWORDS([molecules copy-molecule redo])
|
|---|
| 61 | AT_XFAIL_IF([/bin/true])
|
|---|
| 62 |
|
|---|
| 63 | file=test-copy.xyz
|
|---|
| 64 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
|
|---|
| 65 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 66 | AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
|
|---|
| 67 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
|
|---|
| 68 |
|
|---|
| 69 | file=tensid.data
|
|---|
| 70 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
|
|---|
| 71 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
|
|---|
| 72 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 73 | AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
|
|---|
| 74 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
|
|---|
| 75 |
|
|---|
| 76 | AT_CLEANUP
|
|---|
