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testsuite-selection-molecule-by-order.at@ 7a51be

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Last change on this file since 7a51be was 170ba6, checked in by Frederik Heber <heber@…>, 14 years ago

BUGFIX: MoleculeOrderDescription was not working in reverse because of bug in ObservedContainer.

we now require v1.0.9 of Codepatterns where bug in ObservedContainer is fixed.
TEST: added regression test Selection/Molecules/MoleculeByOrder with separate forward and backward test.
TEST: split up Selection/testsuite file into one on atoms, the other on molecules.

Property mode set to 100644

File size: 5.2 KB

Rev	Line
[170ba6]	1	### (un)select molecules by order
	2
	3
	4	AT_SETUP([Selection - Molecule by order, forward])
	5	AT_KEYWORDS([selection,molecule])
	6	# some variables before
	7	srcpath="Selection/Molecules/MoleculeByOrder"
	8	srcfile=twowater.xyz
	9	m4_include(CheckCommand.sh)
	10	# the tests
	11	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 -s water_id0.xyz"
	12	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 -s water_id1.xyz"
	13	mv water_id0.xyz water_id0_a.xyz
	14	mv water_id1.xyz water_id1_a.xyz
	15	check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 1 --undo -s empty.xyz"
	16	check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 2 --undo -s empty.xyz"
	17	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 --undo --redo -s water_id0.xyz"
	18	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 --undo --redo -s water_id1.xyz"
	19	mv water_id0.xyz water_id0_b.xyz
	20	mv water_id1.xyz water_id1_b.xyz
	21	AT_CHECK([diff -I '.Created by molecuilder.' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
	22	AT_CHECK([diff -I '.Created by molecuilder.' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
	23	AT_CLEANUP
	24
	25	AT_SETUP([Selection - Molecule by order, backward])
	26	AT_KEYWORDS([selection,molecule])
	27	# some variables before
	28	srcpath="Selection/Molecules/MoleculeByOrder"
	29	srcfile=twowater.xyz
	30	m4_include(CheckCommand.sh)
	31	# the tests
	32	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 -s water_id0.xyz"
	33	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 -s water_id1.xyz"
	34	mv water_id0.xyz water_id0_a.xyz
	35	mv water_id1.xyz water_id1_a.xyz
	36	check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -2 --undo -s empty.xyz"
	37	check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -1 --undo -s empty.xyz"
	38	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 --undo --redo -s water_id0.xyz"
	39	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 --undo --redo -s water_id1.xyz"
	40	mv water_id0.xyz water_id0_b.xyz
	41	mv water_id1.xyz water_id1_b.xyz
	42	AT_CHECK([diff -I '.Created by molecuilder.' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
	43	AT_CHECK([diff -I '.Created by molecuilder.' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
	44	AT_CLEANUP
	45
	46	AT_SETUP([Unselection - Molecule by order, forward])
	47	AT_KEYWORDS([selection,molecule])
	48	# some variables before
	49	srcpath="Selection/Molecules/MoleculeByOrder"
	50	srcfile=twowater.xyz
	51	m4_include(CheckCommand.sh)
	52	# the tests
	53	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 -s water_id1.xyz"
	54	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 -s water_id0.xyz"
	55	mv water_id1.xyz water_id1_a.xyz
	56	mv water_id0.xyz water_id0_a.xyz
	57	check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo -s twowater.xyz"
	58	check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo -s twowater.xyz"
	59	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s water_id1.xyz"
	60	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s water_id0.xyz"
	61	mv water_id0.xyz water_id0_b.xyz
	62	mv water_id1.xyz water_id1_b.xyz
	63	AT_CHECK([diff -I '.Created by molecuilder.' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
	64	AT_CHECK([diff -I '.Created by molecuilder.' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
	65	AT_CLEANUP
	66
	67	AT_SETUP([Unselection - Molecule by order, backward])
	68	AT_KEYWORDS([selection,molecule])
	69	# some variables before
	70	srcpath="Selection/Molecules/MoleculeByOrder"
	71	srcfile=twowater.xyz
	72	m4_include(CheckCommand.sh)
	73	# the tests
	74	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 -s water_id1.xyz"
	75	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 -s water_id0.xyz"
	76	mv water_id1.xyz water_id1_a.xyz
	77	mv water_id0.xyz water_id0_a.xyz
	78	check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo -s twowater.xyz"
	79	check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo -s twowater.xyz"
	80	check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s water_id1.xyz"
	81	check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s water_id0.xyz"
	82	mv water_id0.xyz water_id0_b.xyz
	83	mv water_id1.xyz water_id1_b.xyz
	84	AT_CHECK([diff -I '.Created by molecuilder.' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
	85	AT_CHECK([diff -I '.Created by molecuilder.' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
	86	AT_CLEANUP

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