source: tests/regression/Domain/BoundInBox/testsuite-domain-bound-in-box-allmolecules.at@ 25d9d9

Fix_BoundInBox_CenterInBox_MoleculeActions
Last change on this file since 25d9d9 was 25d9d9, checked in by Frederik Heber <heber@…>, 9 years ago

FIX: CenterInBox and BoundInBox are actions acting on molecules, not world.

  • just stumbled over this when realizing that center-in-box does not center all selected atoms within the box but each of the currently present molecules individually.
  • this is also changed to act only on selected molecules.
  • TEST: extended regression test to only test centering and bounding of some molecules (and not only all).
  • TESTFIX: needed to change regression tests on all molecules to prepend action with select-all-molecules.
  • Needed to renamed python action in boxmaker.py.in.
  • DOCU: Corrected description in userguide.
  • Property mode set to 100644
File size: 2.2 KB
Line 
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### bound atoms in defined domain
19
20AT_SETUP([Domain - bounding in domain all molecules])
21AT_KEYWORDS([domain bound-in-box])
22
23file=test.conf
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26AT_CHECK([../../molecuilder -i $file --select-all-molecules --bound-in-box], 0, [stdout], [stderr])
27AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test.conf], 0, [stdout], [stderr])
28
29AT_CLEANUP
30
31
32AT_SETUP([Domain - bounding in domain all molecules with Undo])
33AT_KEYWORDS([domain bound-in-box undo])
34
35file=test.conf
36AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
37AT_CHECK([chmod u+w $file], 0)
38AT_CHECK([../../molecuilder -i $file --select-all-molecules --bound-in-box --undo], 0, [stdout], [stderr])
39AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test-undo.conf], 0, [stdout], [stderr])
40
41AT_CLEANUP
42
43
44AT_SETUP([Domain - bounding in domain all molecules with Redo])
45AT_KEYWORDS([domain bound-in-box redo])
46
47file=test.conf
48AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
49AT_CHECK([chmod u+w $file], 0)
50AT_CHECK([../../molecuilder -i $file --select-all-molecules --bound-in-box --undo --redo], 0, [stdout], [stderr])
51AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test.conf], 0, [stdout], [stderr])
52
53AT_CLEANUP
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