relax SVN archive

Converted all ATOM records to HETATM in the sphere.pdb file.

Updated the PDB file in the test_suite/shared_data/model_free/sphere/ directory.

The relax library is now being used to create the PDB file. Additional TER and CONECT records are
now being created so the result is a more correct PDB file.

Removed an accidentally committed debugging printout.

Set more reasonable default values for the lib.structure.pdb_write functions atom() and hetatm().

The occupancy now defaults to 1.0 instead of '', and the temperature factor to 0.0 instead of ''.
This avoid painful errors when using these functions, as these arguments must be floating point
numbers at all times, hence the default value of '' causes a TypeError.

Merged revisions 26592 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26592 | bugman | 2014-11-17 11:12:16 +0100 (Mon, 17 Nov 2014) | 6 lines

Created the Mf.test_dauvergne_protocol_sphere system test.

This catches bug #22963 (https://gna.org/bugs/?22963): Using '@N*' to define the interatomic
interactions for a model-free analysis fails when using non-backbone 15N spins.
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Merged revisions 26592 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26592 | bugman | 2014-11-17 11:12:16 +0100 (Mon, 17 Nov 2014) | 6 lines

Created the Mf.test_dauvergne_protocol_sphere system test.

This catches bug #22963 (https://gna.org/bugs/?22963): Using '@N*' to define the interatomic
interactions for a model-free analysis fails when using non-backbone 15N spins.
........

Created the Mf.test_dauvergne_protocol_sphere system test.

This catches bug #22963 (https://gna.org/bugs/?22963): Using '@N*' to define the interatomic
interactions for a model-free analysis fails when using non-backbone 15N spins.

Merged revisions 26588 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26588 | bugman | 2014-11-17 10:20:31 +0100 (Mon, 17 Nov 2014) | 13 lines

Fix for bug #22961 (https://gna.org/bugs/?22961)

This is the failure of relaxation data loading with the message "IndexError: list index out of
range". The bug was found by Julien Orts.

It is triggered by loading relaxation data from a file containing spin name information and
supplying the spin ID using the spin name to restrict data loading to a spin subset. To solve the
problem, the pipe_control.relax_data.pack_data() function has been redesigned. Now the selection
union concept of Chris MacRaild's selection object is being used by joining the spin ID constructed
from the data file and the user supplied spin ID with '&', and using this to isolate the correct
spin system.
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Merged revisions 26588 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26588 | bugman | 2014-11-17 10:20:31 +0100 (Mon, 17 Nov 2014) | 13 lines

Fix for bug #22961 (https://gna.org/bugs/?22961)

This is the failure of relaxation data loading with the message "IndexError: list index out of
range". The bug was found by Julien Orts.

It is triggered by loading relaxation data from a file containing spin name information and
supplying the spin ID using the spin name to restrict data loading to a spin subset. To solve the
problem, the pipe_control.relax_data.pack_data() function has been redesigned. Now the selection
union concept of Chris MacRaild's selection object is being used by joining the spin ID constructed
from the data file and the user supplied spin ID with '&', and using this to isolate the correct
spin system.
........

Merged revisions 26577-26578,26583-26586 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26577 | bugman | 2014-11-14 10:24:21 +0100 (Fri, 14 Nov 2014) | 3 lines

Basic Epydoc fix for the data_store.exp_info module.
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r26578 | bugman | 2014-11-14 10:26:00 +0100 (Fri, 14 Nov 2014) | 3 lines

Epydoc fix for the name_pipe() method of the relaxation dispersion auto-analysis for repeated data.
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r26583 | bugman | 2014-11-14 11:52:51 +0100 (Fri, 14 Nov 2014) | 6 lines

Fixes for the HTML user manual compilation.

The index.html file was not being created as the main page has changed from 'relax_user_manual.html'
to 'The_relax_user_manual.html'.
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r26584 | bugman | 2014-11-14 11:55:36 +0100 (Fri, 14 Nov 2014) | 9 lines

Added a line to the release checklist document about updating the wiki release links.

These are for the combined release notes pages at http://wiki.nmr-relax.com/Relax_releases,
http://wiki.nmr-relax.com/Relax_release_descriptions,
http://wiki.nmr-relax.com/Relax_release_metadata, http://wiki.nmr-relax.com/Relax_release_features,
http://wiki.nmr-relax.com/Relax_release_changes, http://wiki.nmr-relax.com/Relax_release_bugfixes,
http://wiki.nmr-relax.com/Relax_release_links.
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r26585 | bugman | 2014-11-14 16:45:49 +0100 (Fri, 14 Nov 2014) | 3 lines

Updates for the release announcement section of the release checklist document.
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r26586 | bugman | 2014-11-16 14:57:22 +0100 (Sun, 16 Nov 2014) | 3 lines

Created a system test to catch a rare relaxation data loading problem.
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