relax SVN archive

Created the Sequence.test_bug_23372_read_csv system test.

This is to catch bug #23372 (https://gna.org/bugs/?23372), the sequence.read failure with CSV files.
It uses a truncated version of the CSV data file attached to sr #3219
(https://gna.org/support/?3219).

Merged revisions 27782-27787 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27782 | bugman | 2015-03-05 11:02:08 +0100 (Thu, 05 Mar 2015) | 9 lines

Huge speed up for loading results and state files with Monte Carlo simulation alignment tensors.

The reading of the alignment tensor component of XML formatted results and state files has been
modified. Previously the data_store.align_tensor.AlignTensorData._update_object() method for
updating the alignment tensor object (for values, errors, simulations) was being called once for
each Monte Carlo simulation. Now is it called only once for all simulations. In one test, the
reading of the save file with 500 simulations dropped from 253.7 to 10.0 seconds.
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r27783 | bugman | 2015-03-05 14:49:00 +0100 (Thu, 05 Mar 2015) | 6 lines

Added an extra check for the assembly of RDC data.

This is in the pipe_control.rdc.return_rdc_data() function and the check is for any unit vectors set
to None, which is a fatal condition.
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r27784 | bugman | 2015-03-05 15:05:28 +0100 (Thu, 05 Mar 2015) | 3 lines

Improved the RelaxError message from the RDC assembly function when unit vectors are None.
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r27785 | bugman | 2015-03-05 15:17:51 +0100 (Thu, 05 Mar 2015) | 6 lines

Added a new warning to the interatom.unit_vectors user function if data is missing.

This is to aid in detecting problems earlier before unit vectors of None are encountered by other
parts of relax.
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r27786 | bugman | 2015-03-09 11:48:12 +0100 (Mon, 09 Mar 2015) | 6 lines

Improvements for the rdc.weight and pcs.weight user functions.

The spin_id argument can now be set to None to allow all spins or interatomic data containers to be
set.
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r27787 | bugman | 2015-03-09 16:53:08 +0100 (Mon, 09 Mar 2015) | 6 lines

Modified the rdc.corr_plot user function to skip deselected interatomic data containers.

This would normally happen as no back-calculated data is normally present. However, if data has
been copied from elsewhere, this may not always be the case.
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Modified the rdc.corr_plot user function to skip deselected interatomic data containers.

This would normally happen as no back-calculated data is normally present. However, if data has
been copied from elsewhere, this may not always be the case.

Improvements for the rdc.weight and pcs.weight user functions.

The spin_id argument can now be set to None to allow all spins or interatomic data containers to be
set.

Added a new warning to the interatom.unit_vectors user function if data is missing.

This is to aid in detecting problems earlier before unit vectors of None are encountered by other
parts of relax.

Improved the RelaxError message from the RDC assembly function when unit vectors are None.

Added an extra check for the assembly of RDC data.

This is in the pipe_control.rdc.return_rdc_data() function and the check is for any unit vectors set
to None, which is a fatal condition.

Huge speed up for loading results and state files with Monte Carlo simulation alignment tensors.

The reading of the alignment tensor component of XML formatted results and state files has been
modified. Previously the data_store.align_tensor.AlignTensorData._update_object() method for
updating the alignment tensor object (for values, errors, simulations) was being called once for
each Monte Carlo simulation. Now is it called only once for all simulations. In one test, the
reading of the save file with 500 simulations dropped from 253.7 to 10.0 seconds.

Merged revisions 27776-27780 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27776 | bugman | 2015-03-04 15:10:39 +0100 (Wed, 04 Mar 2015) | 5 lines

Fixes for the align_tensor.copy user function argument unit tests.

The tensor_from and tensor_to arguments can now be None.
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r27777 | bugman | 2015-03-04 15:23:13 +0100 (Wed, 04 Mar 2015) | 6 lines

Created the Align_tensor.test_copy_pipes_sims system test.

This demonstrates a failure of the align_tensor.copy user function when Monte Carlo simulated
tensors are present.
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r27778 | bugman | 2015-03-04 15:28:53 +0100 (Wed, 04 Mar 2015) | 3 lines

Copyright update.
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r27779 | bugman | 2015-03-04 15:32:53 +0100 (Wed, 04 Mar 2015) | 6 lines

Deleted the data_store.align_tensor.AlignTensorSimList.append() method.

This replacement list method was proving fatal when copy.deepcopy() is called on the alignment
tensor object. The change allows the Align_tensor.test_copy_pipes_sims system test to pass.
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r27780 | bugman | 2015-03-04 15:33:20 +0100 (Wed, 04 Mar 2015) | 3 lines

Copyright update.
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Copyright update.