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Commit Date  
[r14878] by bugman

Created the alignment tensor module num_tensors() method for counting tensors.

This excludes fixed tensors by default.

2011-10-18 08:39:11 Tree
[r14877] by bugman

The rdc and pcs display and write user functions now output mol, res, and spin name and num cols.

Instead of the spin ID column, these user functions now output the molecule name, residue name,
residue number, spin name and spin number columns. This is better to read back into relax as info
such as the spin number can be ignored to allow different PDB files to be used.

2011-10-18 07:13:22 Tree
[r14876] by bugman

Bug fix for the relax_io.read_spin_data() function for spin IDs.

Spin IDs can now be handled if they are the first column in the data file!

2011-10-18 06:51:59 Tree
[r14875] by bugman

Created a system test with RDC data for loading RDCs from a file with spin ID strings at the start.

2011-10-17 16:31:38 Tree
[r14874] by bugman

Updated the RDC and PCS display and write user function backends for the new bc flag.

This allows access to the back-calculated rather than measured data.

2011-10-17 12:09:51 Tree
[r14873] by bugman

Added the bc flag to the RDC and PCS display and write user function front-ends.

This This will allow the back-calculated data to be displayed or written rather than the measured
values.

2011-10-17 11:59:57 Tree
[r14872] by bugman

Increased the efficiency of the relax data store spin system creation.

This becomes noticeable when large numbers of structures are read into relax.

2011-10-14 18:29:51 Tree
[r14871] by bugman

Bug fix for the profiling!

This coding and debugging functionality now works again. This has been broken since the merger of
the multi-processor branch.

2011-10-14 14:37:52 Tree
[r14870] by bugman

Bug fix allowing relax to be run in profiling mode.

This still does not work as the multi-processor branch has broken this coding and debugging
functionality.

2011-10-14 14:31:45 Tree
[r14869] by bugman

Fix for a problem introduced at r14810 - relax uses D and not 2D internally for the RDCs.

This is only a problem if the rdc.read 'data_type' argument is used. This is only a few days old so
will affect no one!

2011-10-14 08:21:50 Tree
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