source: tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-molecule-by-order.at@ c0d9eb

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Last change on this file since c0d9eb was 170ba6, checked in by Frederik Heber <heber@…>, 15 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
Line 
1### (un)select molecules by order
2
3
4AT_SETUP([Selection - Molecule by order, forward])
5AT_KEYWORDS([selection,molecule])
6# some variables before
7srcpath="Selection/Molecules/MoleculeByOrder"
8srcfile=twowater.xyz
9m4_include(CheckCommand.sh)
10# the tests
11check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 -s water_id0.xyz"
12check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 -s water_id1.xyz"
13mv water_id0.xyz water_id0_a.xyz
14mv water_id1.xyz water_id1_a.xyz
15check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 1 --undo -s empty.xyz"
16check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 2 --undo -s empty.xyz"
17check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 --undo --redo -s water_id0.xyz"
18check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 --undo --redo -s water_id1.xyz"
19mv water_id0.xyz water_id0_b.xyz
20mv water_id1.xyz water_id1_b.xyz
21AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
22AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
23AT_CLEANUP
24
25AT_SETUP([Selection - Molecule by order, backward])
26AT_KEYWORDS([selection,molecule])
27# some variables before
28srcpath="Selection/Molecules/MoleculeByOrder"
29srcfile=twowater.xyz
30m4_include(CheckCommand.sh)
31# the tests
32check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 -s water_id0.xyz"
33check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 -s water_id1.xyz"
34mv water_id0.xyz water_id0_a.xyz
35mv water_id1.xyz water_id1_a.xyz
36check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -2 --undo -s empty.xyz"
37check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -1 --undo -s empty.xyz"
38check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 --undo --redo -s water_id0.xyz"
39check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 --undo --redo -s water_id1.xyz"
40mv water_id0.xyz water_id0_b.xyz
41mv water_id1.xyz water_id1_b.xyz
42AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
43AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
44AT_CLEANUP
45
46AT_SETUP([Unselection - Molecule by order, forward])
47AT_KEYWORDS([selection,molecule])
48# some variables before
49srcpath="Selection/Molecules/MoleculeByOrder"
50srcfile=twowater.xyz
51m4_include(CheckCommand.sh)
52# the tests
53check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 -s water_id1.xyz"
54check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 -s water_id0.xyz"
55mv water_id1.xyz water_id1_a.xyz
56mv water_id0.xyz water_id0_a.xyz
57check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo -s twowater.xyz"
58check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo -s twowater.xyz"
59check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s water_id1.xyz"
60check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s water_id0.xyz"
61mv water_id0.xyz water_id0_b.xyz
62mv water_id1.xyz water_id1_b.xyz
63AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
64AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
65AT_CLEANUP
66
67AT_SETUP([Unselection - Molecule by order, backward])
68AT_KEYWORDS([selection,molecule])
69# some variables before
70srcpath="Selection/Molecules/MoleculeByOrder"
71srcfile=twowater.xyz
72m4_include(CheckCommand.sh)
73# the tests
74check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 -s water_id1.xyz"
75check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 -s water_id0.xyz"
76mv water_id1.xyz water_id1_a.xyz
77mv water_id0.xyz water_id0_a.xyz
78check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo -s twowater.xyz"
79check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo -s twowater.xyz"
80check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s water_id1.xyz"
81check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s water_id0.xyz"
82mv water_id0.xyz water_id0_b.xyz
83mv water_id1.xyz water_id1_b.xyz
84AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
85AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
86AT_CLEANUP
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