| 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 | ### 6. (un)select atom by order
|
|---|
| 19 |
|
|---|
| 20 |
|
|---|
| 21 | AT_SETUP([Unselection - atom with specific order])
|
|---|
| 22 | AT_KEYWORDS([unselection order atom unselect-atom-by-order])
|
|---|
| 23 | # go through all possible orders (0-7) and remove others
|
|---|
| 24 | i=1
|
|---|
| 25 | while test $i -le 8; do
|
|---|
| 26 | let id=$i-1
|
|---|
| 27 | file=order${id}_present.xyz
|
|---|
| 28 | # normal
|
|---|
| 29 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 30 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 31 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order ${i} -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 32 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 33 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 34 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_present.xyz])
|
|---|
| 35 | ((i+=1))
|
|---|
| 36 | done
|
|---|
| 37 | # go reverse through all possible orders (0-7) and remove others
|
|---|
| 38 | i=1
|
|---|
| 39 | while test $i -le 8; do
|
|---|
| 40 | let id=8-$i
|
|---|
| 41 | file=order${id}_present.xyz
|
|---|
| 42 | # normal
|
|---|
| 43 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 44 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 45 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order -${i} -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 46 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 47 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 48 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_present.xyz])
|
|---|
| 49 | ((i+=1))
|
|---|
| 50 | done
|
|---|
| 51 | AT_CLEANUP
|
|---|
| 52 |
|
|---|
| 53 |
|
|---|
| 54 | AT_SETUP([Unselection - atom with specific order with Undo])
|
|---|
| 55 | AT_KEYWORDS([unselection order atom unselect-atom-by-order undo])
|
|---|
| 56 | # go through all possible orders (0-7) and remove others
|
|---|
| 57 | i=1
|
|---|
| 58 | while test $i -le 8; do
|
|---|
| 59 | let id=$i-1
|
|---|
| 60 | file=order${id}_present.xyz
|
|---|
| 61 | # undo
|
|---|
| 62 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 63 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 64 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order ${i} --undo -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 65 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 66 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 67 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/empty.xyz])
|
|---|
| 68 | ((i+=1))
|
|---|
| 69 | done
|
|---|
| 70 | # go reverse through all possible orders (0-7) and remove others
|
|---|
| 71 | i=1
|
|---|
| 72 | while test $i -le 8; do
|
|---|
| 73 | let id=8-$i
|
|---|
| 74 | file=order${id}_present.xyz
|
|---|
| 75 | # undo
|
|---|
| 76 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 77 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 78 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order -${i} --undo -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 79 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 80 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 81 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/empty.xyz])
|
|---|
| 82 | ((i+=1))
|
|---|
| 83 | done
|
|---|
| 84 | AT_CLEANUP
|
|---|
| 85 |
|
|---|
| 86 |
|
|---|
| 87 | AT_SETUP([Unselection - atom with specific order with Redo])
|
|---|
| 88 | AT_KEYWORDS([unselection order atom unselect-atom-by-order redo])
|
|---|
| 89 | # go through all possible orders (0-7) and remove others
|
|---|
| 90 | i=1
|
|---|
| 91 | while test $i -le 8; do
|
|---|
| 92 | let id=$i-1
|
|---|
| 93 | file=order${id}_present.xyz
|
|---|
| 94 | # redo
|
|---|
| 95 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 96 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 97 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order ${i} --undo --redo -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 98 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 99 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 100 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_present.xyz])
|
|---|
| 101 | ((i+=1))
|
|---|
| 102 | done
|
|---|
| 103 | # go reverse through all possible orders (0-7) and remove others
|
|---|
| 104 | i=1
|
|---|
| 105 | while test $i -le 8; do
|
|---|
| 106 | let id=8-$i
|
|---|
| 107 | file=order${id}_present.xyz
|
|---|
| 108 | # redo
|
|---|
| 109 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
|
|---|
| 110 | AT_CHECK([chmod u+w $file], 0)
|
|---|
| 111 | AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --select-all-atoms --unselect-atom-by-order -${i} --undo --redo -r --no-dry-run --store-session session-selection-unselect-atom-by-order.py --session-type python], 0[], [ignore], [ignore])
|
|---|
| 112 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atom-by-order.py >session-selection-unselect-atom-by-order_new.py], 0, [ignore], [ignore])
|
|---|
| 113 | AT_CHECK([../../molecuilderguitest session-selection-unselect-atom-by-order_new.py], [], [ignore], [ignore])
|
|---|
| 114 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_present.xyz])
|
|---|
| 115 | ((i+=1))
|
|---|
| 116 | done
|
|---|
| 117 | AT_CLEANUP
|
|---|
