relax SVN archive

The Frame Order test data generation base script now loads all structures before rotating them.

This allows the progress printout to function correctly by not having any user function printouts
as the rotations are occurring.

Reintroduced the distribution PDB file creation to the frame order test data generation script.

This is the generate_base.py script in the test_suite/shared_data/frame_order/cam directory. The
ability to create the distribution.pdb file was long lost in this script, and can now be activated
using the DIST_PDB class variable.

Merged revisions 22034 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22034 | bugman | 2014-01-21 10:30:24 +0100 (Tue, 21 Jan 2014) | 10 lines

Fix for bug #21522 (https://gna.org/bugs/?21522) and bug #21520 (https://gna.org/bugs/?21520).

These bugs are the structure.write_pdb user function creating an incorrect MASTER record and the
failure of the structure.write_pdb user function when creating the MASTER record due to too many
ATOM and HETATM records being present.

The counts for the ATOM, HETATM, and TER records are now only for a single model, rather than being
the sum for all models together.
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Merged revisions 22033 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22033 | bugman | 2014-01-21 10:24:22 +0100 (Tue, 21 Jan 2014) | 3 lines

Small bug fix for the new Structure.test_bug_21522_master_record_atom_count system test.
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Merged revisions 22032 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22032 | bugman | 2014-01-21 10:23:35 +0100 (Tue, 21 Jan 2014) | 6 lines

The structure.write_pdb user function can now handle a file instance for the file argument.

This is for the Structure.test_bug_21522_master_record_atom_count system test, to allow a dummy file
object to be used. This can also be useful for power users.
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Merged revisions 22031 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22031 | bugman | 2014-01-21 10:15:22 +0100 (Tue, 21 Jan 2014) | 11 lines

Created the Structure.test_bug_21522_master_record_atom_count system test.

This is designed to catch bug #21522 (https://gna.org/bugs/?21522), the structure.write_pdb user
function creating an incorrect MASTER record. This hence also catches bug #21520
(https://gna.org/bugs/?21520), the failure of the structure.write_pdb user function when creating
the MASTER record due to too many ATOM and HETATM records being present.

The test simply creates to structural models, adds one atom, and writes out a PDB file, checking its
contents.
........

Fix for bug #21522 (https://gna.org/bugs/?21522) and bug #21520 (https://gna.org/bugs/?21520).

These bugs are the structure.write_pdb user function creating an incorrect MASTER record and the
failure of the structure.write_pdb user function when creating the MASTER record due to too many
ATOM and HETATM records being present.

The counts for the ATOM, HETATM, and TER records are now only for a single model, rather than being
the sum for all models together.

Small bug fix for the new Structure.test_bug_21522_master_record_atom_count system test.

The structure.write_pdb user function can now handle a file instance for the file argument.

This is for the Structure.test_bug_21522_master_record_atom_count system test, to allow a dummy file
object to be used. This can also be useful for power users.

Created the Structure.test_bug_21522_master_record_atom_count system test.

This is designed to catch bug #21522 (https://gna.org/bugs/?21522), the structure.write_pdb user
function creating an incorrect MASTER record. This hence also catches bug #21520
(https://gna.org/bugs/?21520), the failure of the structure.write_pdb user function when creating
the MASTER record due to too many ATOM and HETATM records being present.

The test simply creates to structural models, adds one atom, and writes out a PDB file, checking its
contents.