| [dd6c07] | 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 | ### (un)select molecules by order
|
|---|
| 19 |
|
|---|
| 20 |
|
|---|
| 21 | AT_SETUP([Unselection - Molecule by order, backward])
|
|---|
| 22 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order])
|
|---|
| 23 |
|
|---|
| 24 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 25 | srcfile=twowater.xyz
|
|---|
| 26 | testfile=test.xyz
|
|---|
| 27 | targetfile=water_id1.xyz
|
|---|
| 28 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 29 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 30 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 31 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 32 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
|
|---|
| 33 |
|
|---|
| 34 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 35 | srcfile=twowater.xyz
|
|---|
| 36 | testfile=test.xyz
|
|---|
| 37 | targetfile=water_id0.xyz
|
|---|
| 38 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 39 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 40 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 41 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 42 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
|
|---|
| 43 |
|
|---|
| 44 | AT_CLEANUP
|
|---|
| 45 |
|
|---|
| 46 |
|
|---|
| 47 | AT_SETUP([Unselection - Molecule by order, backward with Undo])
|
|---|
| 48 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order undo])
|
|---|
| 49 |
|
|---|
| 50 | comparisonfile=twowater.xyz
|
|---|
| 51 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 52 | srcfile=twowater.xyz
|
|---|
| 53 | testfile=test.xyz
|
|---|
| 54 | targetfile=twowater1.xyz
|
|---|
| 55 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 56 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 57 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 58 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 59 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$comparisonfile], 0, [ignore], [ignore])
|
|---|
| 60 |
|
|---|
| 61 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 62 | srcfile=twowater.xyz
|
|---|
| 63 | testfile=test.xyz
|
|---|
| 64 | targetfile=twowater2.xyz
|
|---|
| 65 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 66 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 67 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 68 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 69 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$comparisonfile], 0, [ignore], [ignore])
|
|---|
| 70 |
|
|---|
| 71 | AT_CLEANUP
|
|---|
| 72 |
|
|---|
| 73 |
|
|---|
| 74 | AT_SETUP([Unselection - Molecule by order, backward with Redo])
|
|---|
| 75 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order redo])
|
|---|
| 76 |
|
|---|
| 77 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 78 | srcfile=twowater.xyz
|
|---|
| 79 | testfile=test.xyz
|
|---|
| 80 | targetfile=water_id1.xyz
|
|---|
| 81 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 82 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 83 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 84 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 85 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
|
|---|
| 86 |
|
|---|
| 87 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
|
|---|
| 88 | srcfile=twowater.xyz
|
|---|
| 89 | testfile=test.xyz
|
|---|
| 90 | targetfile=water_id0.xyz
|
|---|
| 91 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
|
|---|
| 92 | AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])
|
|---|
| 93 | AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore])
|
|---|
| 94 | AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr])
|
|---|
| 95 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
|
|---|
| 96 |
|
|---|
| 97 | AT_CLEANUP
|
|---|
