relax SVN archive

Updates for the Structure.test_create_diff_tensor_pdb_ellipsoid system test.

The PDB checking has been updated for the new data.

Updates for the Structure.test_create_diff_tensor_pdb_oblate system test.

The test now uses the spheroid synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data. The oblate tensor is now forced in the system test
script.

Updates for the Structure.test_create_diff_tensor_pdb_prolate system test.

The test now uses the spheroid synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data.

Updates for the Structure.test_create_diff_tensor_pdb_sphere system test.

The test now uses the sphere synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data.

Bug fix for the structure.read_pdb user function parsing of CONECT records.

CONECT records pointing to ATOM records were not being read by the user function. As ATOM records
should not require CONECT records by their definition, this is only a minor problem affecting
synthetic edge cases.

Reintroduced the CONECT PDB records into the artificial diffusion tensor test suite data.

The uniform vector distributions have overlapping vectors. This causes the internal structural
object atom connection determining algorithm to fail, as this is distance-based rather than using
the PDB amino acid definitions for now.

Changed the synthetic PDB for the artificial diffusion tensor test suite data.

The nitrogen and proton positions are now shifted 10 Angstrom along the distribution vectors. This
is to avoid having all nitrogens positioned at the origin which causes the internal structural
object algorithm for determining which atoms are connected to fail.

Bug fix for the printouts from the relax_data.read user function.

This problem was introduced in the last relax release (at r26588). The problem is that the spin ID
in the loaded relaxation data printout is the same for all data, being the spin ID of the first
spin. This has no effect on how relax runs, it is only incorrect feedback.

Another update for the artificial diffusion tensor test suite data.

The number of increments on the sphere has been increased from 5 to 6, to make the vector
distribution truly uniform. All PDB files and relaxation data has been updated.

Updated the artificial diffusion tensor test suite data.

This is the data in test_suite/shared_data/diffusion_tensor. The residues in the PDB files are now
proper amino acids, so the HETATM records are now ATOM records, and the CONECT records have been
eliminated.