source: tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at@ c4cde1

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Last change on this file since c4cde1 was 7db9bd, checked in by Frederik Heber <heber@…>, 13 years ago

DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. tests/regression).

  • this corrects VPATH problems with 'make distcheck'.
  • Property mode set to 100644
File size: 3.2 KB
RevLine 
[d70fff]1### (un)select molecules by order
[c77ac8]2
3
[d70fff]4AT_SETUP([Unselection - Molecule by order, forward])
[718542]5AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order])
[7c958e]6
[7db9bd]7regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]8srcfile=twowater.xyz
[7c958e]9testfile=test.xyz
[d70fff]10targetfile=water_id1.xyz
[7c958e]11AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]12AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 -s $targetfile], 0, [stdout], [stderr])
[7c958e]13AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
14
[7db9bd]15regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]16srcfile=twowater.xyz
[7c958e]17testfile=test.xyz
[d70fff]18targetfile=water_id0.xyz
[7c958e]19AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]20AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 -s $targetfile], 0, [stdout], [stderr])
[7c958e]21AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
22
[c77ac8]23AT_CLEANUP
24
[7c958e]25
[d70fff]26AT_SETUP([Unselection - Molecule by order, forward with Undo])
[718542]27AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,undo])
[7c958e]28
[7db9bd]29regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]30srcfile=twowater.xyz
[7c958e]31testfile=test.xyz
[d70fff]32targetfile=twowater.xyz
[7c958e]33AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]34AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 --undo -s $targetfile], 0, [stdout], [stderr])
[7c958e]35AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
36
[7db9bd]37regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]38srcfile=twowater.xyz
[7c958e]39testfile=test.xyz
[d70fff]40targetfile=twowater.xyz
[7c958e]41AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]42AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 --undo -s $targetfile], 0, [stdout], [stderr])
[7c958e]43AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
44
45AT_CLEANUP
46
47
[d70fff]48AT_SETUP([Unselection - Molecule by order, forward with Redo])
[718542]49AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,redo])
[7c958e]50
[7db9bd]51regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]52srcfile=twowater.xyz
[7c958e]53testfile=test.xyz
[d70fff]54targetfile=water_id1.xyz
[7c958e]55AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]56AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
[7c958e]57AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
58
[7db9bd]59regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
[d70fff]60srcfile=twowater.xyz
[7c958e]61testfile=test.xyz
[d70fff]62targetfile=water_id0.xyz
[7c958e]63AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d70fff]64AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
[7c958e]65AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
66
[c77ac8]67AT_CLEANUP
[d70fff]68
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