| [dd6c07] | 1 | #
 | 
|---|
 | 2 | #    MoleCuilder - creates and alters molecular systems
 | 
|---|
 | 3 | #    Copyright (C) 2014 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 | ### 10. push atom selection
 | 
|---|
 | 19 | 
 | 
|---|
 | 20 | AT_SETUP([Selection - push atom selection])
 | 
|---|
 | 21 | AT_KEYWORDS([selection atom select-all-atoms push-atom-selection select-atom-by-id])
 | 
|---|
 | 22 | # go through all possible ids (0-7) and remove
 | 
|---|
 | 23 | i=0
 | 
|---|
 | 24 | while test $i -lt 8; do
 | 
|---|
 | 25 |   file=id${i}_missing.xyz
 | 
|---|
 | 26 |   # normal
 | 
|---|
 | 27 |   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/pre/test.xyz $file])
 | 
|---|
 | 28 |   AT_CHECK([chmod u+w $file], 0)
 | 
|---|
 | 29 |   AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --push-atom-selection --select-atom-by-id ${i} -r --no-dry-run --store-session session-selection-push-atom-selection.py --session-type python], 0[], [ignore], [ignore])
 | 
|---|
 | 30 | AT_CHECK([grep -v "Command.*DryRun" session-selection-push-atom-selection.py >session-selection-push-atom-selection_new.py], 0, [ignore], [ignore])
 | 
|---|
 | 31 | AT_CHECK([../../molecuilderguitest session-selection-push-atom-selection_new.py], [], [ignore], [ignore])
 | 
|---|
 | 32 |   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/post/id${i}_missing.xyz])
 | 
|---|
 | 33 |   ((i+=1))
 | 
|---|
 | 34 | done
 | 
|---|
 | 35 | AT_CLEANUP
 | 
|---|
 | 36 | 
 | 
|---|
 | 37 | 
 | 
|---|
 | 38 | AT_SETUP([Selection - push atom selection with Undo])
 | 
|---|
 | 39 | AT_KEYWORDS([selection atom select-all-atoms push-atom-selection select-atom-by-id undo])
 | 
|---|
 | 40 | # go through all possible ids (0-7) and remove
 | 
|---|
 | 41 | i=0
 | 
|---|
 | 42 | while test $i -lt 8; do
 | 
|---|
 | 43 |   file=id${i}_missing.xyz
 | 
|---|
 | 44 |   # undo
 | 
|---|
 | 45 |   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/pre/test.xyz $file])
 | 
|---|
 | 46 |   AT_CHECK([chmod u+w $file], 0)
 | 
|---|
 | 47 |   AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --push-atom-selection --undo --select-atom-by-id ${i} -r --no-dry-run --store-session session-selection-push-atom-selection.py --session-type python], 0[], [ignore], [ignore])
 | 
|---|
 | 48 | AT_CHECK([grep -v "Command.*DryRun" session-selection-push-atom-selection.py >session-selection-push-atom-selection_new.py], 0, [ignore], [ignore])
 | 
|---|
 | 49 | AT_CHECK([../../molecuilderguitest session-selection-push-atom-selection_new.py], [], [ignore], [ignore])
 | 
|---|
 | 50 |   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/post/empty.xyz])
 | 
|---|
 | 51 |   ((i+=1))
 | 
|---|
 | 52 | done
 | 
|---|
 | 53 | AT_CLEANUP
 | 
|---|
 | 54 | 
 | 
|---|
 | 55 | 
 | 
|---|
 | 56 | AT_SETUP([Selection - push atom selection with Redo])
 | 
|---|
 | 57 | AT_KEYWORDS([selection atom select-all-atoms push-atom-selection select-atom-by-id redo])
 | 
|---|
 | 58 | # go through all possible ids (0-7) and remove
 | 
|---|
 | 59 | i=0
 | 
|---|
 | 60 | while test $i -lt 8; do
 | 
|---|
 | 61 |   file=id${i}_missing.xyz
 | 
|---|
 | 62 |   # redo
 | 
|---|
 | 63 |   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/pre/test.xyz $file])
 | 
|---|
 | 64 |   AT_CHECK([chmod u+w $file], 0)
 | 
|---|
 | 65 |   AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --push-atom-selection --undo --redo --select-atom-by-id ${i} -r --no-dry-run --store-session session-selection-push-atom-selection.py --session-type python], 0[], [ignore], [ignore])
 | 
|---|
 | 66 | AT_CHECK([grep -v "Command.*DryRun" session-selection-push-atom-selection.py >session-selection-push-atom-selection_new.py], 0, [ignore], [ignore])
 | 
|---|
 | 67 | AT_CHECK([../../molecuilderguitest session-selection-push-atom-selection_new.py], [], [ignore], [ignore])
 | 
|---|
 | 68 |   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/PushAtomSelection/post/id${i}_missing.xyz])
 | 
|---|
 | 69 |   ((i+=1))
 | 
|---|
 | 70 | done
 | 
|---|
 | 71 | AT_CLEANUP
 | 
|---|