relax / SVN archive Commit Log

Commit	Date
[r26378] by bugman Merged revisions 26374 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26374 \| bugman \| 2014-10-23 12:01:49 +0200 (Thu, 23 Oct 2014) \| 7 lines Fix for the structure.com user function. This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function after calling structure.delete. The number of models in cdp.structure is now counted and if set to zero, RelaxNoPdbError will be raised. ........	2014-10-23 10:02:58	Tree
[r26377] by bugman Merged revisions 26374 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26374 \| bugman \| 2014-10-23 12:01:49 +0200 (Thu, 23 Oct 2014) \| 7 lines Fix for the structure.com user function. This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function after calling structure.delete. The number of models in cdp.structure is now counted and if set to zero, RelaxNoPdbError will be raised. ........	2014-10-23 10:02:56	Tree
[r26376] by bugman Merged revisions 26373 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26373 \| bugman \| 2014-10-23 12:00:29 +0200 (Thu, 23 Oct 2014) \| 6 lines Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError. This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the structural information from the current data pipe. ........	2014-10-23 10:02:35	Tree
[r26375] by bugman Merged revisions 26373 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26373 \| bugman \| 2014-10-23 12:00:29 +0200 (Thu, 23 Oct 2014) \| 6 lines Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError. This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the structural information from the current data pipe. ........	2014-10-23 10:02:30	Tree
[r26374] by bugman Fix for the structure.com user function. This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function after calling structure.delete. The number of models in cdp.structure is now counted and if set to zero, RelaxNoPdbError will be raised.	2014-10-23 10:01:49	Tree
[r26373] by bugman Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError. This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the structural information from the current data pipe.	2014-10-23 10:00:29	Tree
[r26372] by bugman Merged revisions 26367-26368 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26367 \| bugman \| 2014-10-23 11:52:13 +0200 (Thu, 23 Oct 2014) \| 5 lines Fix for the checks in the new Structure.test_load_spins_multi_mol system test. A spin index was incorrect. ........ r26368 \| bugman \| 2014-10-23 11:54:27 +0200 (Thu, 23 Oct 2014) \| 8 lines Fix for the structure.load_spins user function when the from_mols argument is used. The load_spins_multi_mol() function of the pipe_control.structure.main module was incorrectly handling the atomic position returned by the internal structural object atom_loop() method. This position is a list of lists when multiple models are present. But when only a single model is present, it returns a simple list. ........	2014-10-23 09:56:39	Tree
[r26371] by bugman Merged revisions 26367-26368 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26367 \| bugman \| 2014-10-23 11:52:13 +0200 (Thu, 23 Oct 2014) \| 5 lines Fix for the checks in the new Structure.test_load_spins_multi_mol system test. A spin index was incorrect. ........ r26368 \| bugman \| 2014-10-23 11:54:27 +0200 (Thu, 23 Oct 2014) \| 8 lines Fix for the structure.load_spins user function when the from_mols argument is used. The load_spins_multi_mol() function of the pipe_control.structure.main module was incorrectly handling the atomic position returned by the internal structural object atom_loop() method. This position is a list of lists when multiple models are present. But when only a single model is present, it returns a simple list. ........	2014-10-23 09:56:38	Tree
[r26370] by bugman Merged revisions 26366 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26366 \| bugman \| 2014-10-23 11:43:27 +0200 (Thu, 23 Oct 2014) \| 6 lines Created the Structure.test_bug_22860_CoM_after_deletion system test. This is to catch bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function after calling structure.delete. ........	2014-10-23 09:55:19	Tree
[r26369] by bugman Merged revisions 26366 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r26366 \| bugman \| 2014-10-23 11:43:27 +0200 (Thu, 23 Oct 2014) \| 6 lines Created the Structure.test_bug_22860_CoM_after_deletion system test. This is to catch bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function after calling structure.delete. ........	2014-10-23 09:55:12	Tree

[r26378] by bugman

Merged revisions 26374 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26374 | bugman | 2014-10-23 12:01:49 +0200 (Thu, 23 Oct 2014) | 7 lines

Fix for the structure.com user function.

This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function
after calling structure.delete. The number of models in cdp.structure is now counted and if set to
zero, RelaxNoPdbError will be raised.
........

2014-10-23 10:02:58

Tree

[r26377] by bugman

Merged revisions 26374 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26374 | bugman | 2014-10-23 12:01:49 +0200 (Thu, 23 Oct 2014) | 7 lines

Fix for the structure.com user function.

This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function
after calling structure.delete. The number of models in cdp.structure is now counted and if set to
zero, RelaxNoPdbError will be raised.
........

2014-10-23 10:02:56

Tree

[r26376] by bugman

Merged revisions 26373 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26373 | bugman | 2014-10-23 12:00:29 +0200 (Thu, 23 Oct 2014) | 6 lines

Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError.

This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the
structural information from the current data pipe.
........

2014-10-23 10:02:35

Tree

[r26375] by bugman

Merged revisions 26373 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26373 | bugman | 2014-10-23 12:00:29 +0200 (Thu, 23 Oct 2014) | 6 lines

Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError.

This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the
structural information from the current data pipe.
........

2014-10-23 10:02:30

Tree

[r26374] by bugman

Fix for the structure.com user function.

This fixes bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user function
after calling structure.delete. The number of models in cdp.structure is now counted and if set to
zero, RelaxNoPdbError will be raised.

2014-10-23 10:01:49

Tree

[r26373] by bugman

Modified the Structure.test_bug_22860_CoM_after_deletion system test to expect a RelaxNoPdbError.

This tests that the structure.com user function raises RelaxNoPdbError after deleting all of the
structural information from the current data pipe.

2014-10-23 10:00:29

Tree

[r26372] by bugman

Merged revisions 26367-26368 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26367 | bugman | 2014-10-23 11:52:13 +0200 (Thu, 23 Oct 2014) | 5 lines

Fix for the checks in the new Structure.test_load_spins_multi_mol system test.

A spin index was incorrect.
........
r26368 | bugman | 2014-10-23 11:54:27 +0200 (Thu, 23 Oct 2014) | 8 lines

Fix for the structure.load_spins user function when the from_mols argument is used.

The load_spins_multi_mol() function of the pipe_control.structure.main module was incorrectly
handling the atomic position returned by the internal structural object atom_loop() method. This
position is a list of lists when multiple models are present. But when only a single model is
present, it returns a simple list.
........

2014-10-23 09:56:39

Tree

[r26371] by bugman

Merged revisions 26367-26368 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26367 | bugman | 2014-10-23 11:52:13 +0200 (Thu, 23 Oct 2014) | 5 lines

Fix for the checks in the new Structure.test_load_spins_multi_mol system test.

A spin index was incorrect.
........
r26368 | bugman | 2014-10-23 11:54:27 +0200 (Thu, 23 Oct 2014) | 8 lines

Fix for the structure.load_spins user function when the from_mols argument is used.

The load_spins_multi_mol() function of the pipe_control.structure.main module was incorrectly
handling the atomic position returned by the internal structural object atom_loop() method. This
position is a list of lists when multiple models are present. But when only a single model is
present, it returns a simple list.
........

2014-10-23 09:56:38

Tree

[r26370] by bugman

Merged revisions 26366 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26366 | bugman | 2014-10-23 11:43:27 +0200 (Thu, 23 Oct 2014) | 6 lines

Created the Structure.test_bug_22860_CoM_after_deletion system test.

This is to catch bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user
function after calling structure.delete.
........

2014-10-23 09:55:19

Tree

[r26369] by bugman

Merged revisions 26366 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26366 | bugman | 2014-10-23 11:43:27 +0200 (Thu, 23 Oct 2014) | 6 lines

Created the Structure.test_bug_22860_CoM_after_deletion system test.

This is to catch bug #22860 (https://gna.org/bugs/?22860), the failure of the structure.com user
function after calling structure.delete.
........

2014-10-23 09:55:12

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

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