relax SVN archive

Merged revisions 27769 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27769 | bugman | 2015-03-04 13:33:45 +0100 (Wed, 04 Mar 2015) | 12 lines

Clarification of the RDC and PCS Q factors.

This affects the rdc.calc_q_factors and pcs.calc_q_factors user functions, as well as all other
operations involving the calculation of Q factors. The printouts have been modified to clarify if
the normalisation is via the tensor size (2Da^2(4 + 3R)/5) or via the sum of data squared, and the
separation of the two is now clearer. This allows for better RDC vs. PCS comparisons.

In addition, the data pipe variable names have been updated to reflect the normalisation, so it is
instantly known when looking at the XML contents of results or save files which was used. The
backwards compatibility hooks have been modified to support the data pipe variable name changes.
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Clarification of the RDC and PCS Q factors.

This affects the rdc.calc_q_factors and pcs.calc_q_factors user functions, as well as all other
operations involving the calculation of Q factors. The printouts have been modified to clarify if
the normalisation is via the tensor size (2Da^2(4 + 3R)/5) or via the sum of data squared, and the
separation of the two is now clearer. This allows for better RDC vs. PCS comparisons.

In addition, the data pipe variable names have been updated to reflect the normalisation, so it is
instantly known when looking at the XML contents of results or save files which was used. The
backwards compatibility hooks have been modified to support the data pipe variable name changes.

Merged revisions 27763-27767 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27763 | bugman | 2015-03-03 17:34:39 +0100 (Tue, 03 Mar 2015) | 5 lines

Created the Rdc.test_corr_plot system test to check the rdc.corr_plot user function.

This shows that this poorly tested function works correctly.
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r27764 | bugman | 2015-03-03 17:40:22 +0100 (Tue, 03 Mar 2015) | 5 lines

Created the Pcs.test_corr_plot system test to check the pcs.corr_plot user function.

This user function is poorly tested, and this test triggers a series of bugs.
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r27765 | bugman | 2015-03-03 17:42:30 +0100 (Tue, 03 Mar 2015) | 6 lines

Added the 'title' and 'subtitle' arguments to the pcs.corr_plot user function.

This problem was detected by the new Pcs.test_corr_plot system test. The pcs.corr_plot user
function now matches the rdc.corr_plot user function in terms of arguments.
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r27766 | bugman | 2015-03-03 17:46:21 +0100 (Tue, 03 Mar 2015) | 3 lines

Fix for the pcs.corr_plot user function when the spin containers have no element information.
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r27767 | bugman | 2015-03-03 17:50:02 +0100 (Tue, 03 Mar 2015) | 5 lines

Completed the Pcs.test_corr_plot system test.

The file contents are now known and have been carefully checking in Grace.
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Completed the Pcs.test_corr_plot system test.

The file contents are now known and have been carefully checking in Grace.

Fix for the pcs.corr_plot user function when the spin containers have no element information.

Added the 'title' and 'subtitle' arguments to the pcs.corr_plot user function.

This problem was detected by the new Pcs.test_corr_plot system test. The pcs.corr_plot user
function now matches the rdc.corr_plot user function in terms of arguments.

Created the Pcs.test_corr_plot system test to check the pcs.corr_plot user function.

This user function is poorly tested, and this test triggers a series of bugs.

Created the Rdc.test_corr_plot system test to check the rdc.corr_plot user function.

This shows that this poorly tested function works correctly.

Merged revisions 27758-27761 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27758 | bugman | 2015-03-03 17:10:38 +0100 (Tue, 03 Mar 2015) | 6 lines

The Rdc.test_rdc_copy_* system tests now check for the 'rdc_data_types' data structure.

This is in the Rdc.test_rdc_copy_different_spins and Rdc.test_rdc_copy_back_calc system tests and
shows that the rdc.copy user function fails to duplicate this information.
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r27759 | bugman | 2015-03-03 17:11:47 +0100 (Tue, 03 Mar 2015) | 3 lines

Removed a debugging printout.
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r27760 | bugman | 2015-03-03 17:15:33 +0100 (Tue, 03 Mar 2015) | 6 lines

The Rdc.test_rdc_copy_* system tests now check for the 'absolute_rdc' data structure.

This is in the Rdc.test_rdc_copy_different_spins and Rdc.test_rdc_copy_back_calc system tests and
shows that the rdc.copy user function fails to duplicate this information as well.
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r27761 | bugman | 2015-03-03 17:18:14 +0100 (Tue, 03 Mar 2015) | 3 lines

Expanded the rdc.copy user function to copy the RDC data type and absolute RDC flag information.
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Expanded the rdc.copy user function to copy the RDC data type and absolute RDC flag information.