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[r23778] by bugman

The CaM frame order data generation base script now uses lib.compat.norm().

This is to allow the test suite to pass on systems with old numpy versions whereby the
numpy.linalg.norm() function does not support the new axis argument.

2014-06-10 07:48:07 Tree
[r23777] by bugman

Merged revisions 23753,23774 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23753 | tlinnet | 2014-06-09 19:23:21 +0200 (Mon, 09 Jun 2014) | 7 lines

Added searching for enviroment variable PYTHON_INCLUDE_DIR if Python.h is not found in
standard python library.

This can be very handsome, if one has a python virtual enviroment for multiple users.

This relates to the wiki page:
http://wiki.nmr-relax.com/Epd_canopy
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r23774 | bugman | 2014-06-10 09:40:22 +0200 (Tue, 10 Jun 2014) | 6 lines

The lib.compat.norm() replacement function for numpy.linalg.norm() now handles no axis argument.

This is to allow the function to be used in all cases where numpy.linalg.norm() is used, while
providing compatibility with the axis argument and all numpy versions.
........

2014-06-10 07:46:20 Tree
[r23776] by bugman

Merged revisions 23743 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23743 | tlinnet | 2014-06-08 22:42:55 +0200 (Sun, 08 Jun 2014) | 6 lines

Updated profiling text for CR72 model.

Now it is tested for 3 fields.

This is related to:
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.
........

2014-06-10 07:45:32 Tree
[r23775] by bugman

Merged revisions 23720 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23720 | tlinnet | 2014-06-06 22:03:27 +0200 (Fri, 06 Jun 2014) | 5 lines

Modified profiling script, to get closer to the implementation in relax.

An additional test function is setup to figure out how to reshape the numpy arrays in the target function.

bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed wrong for clustered "full" dispersion models.
........

2014-06-10 07:45:03 Tree
[r23774] by bugman

The lib.compat.norm() replacement function for numpy.linalg.norm() now handles no axis argument.

This is to allow the function to be used in all cases where numpy.linalg.norm() is used, while
providing compatibility with the axis argument and all numpy versions.

2014-06-10 07:40:22 Tree
[r23773] by bugman

Added the full optimisation results for the rotor frame order model.

This is for the 2-site CaM test data using the new frame_order.py optimisation script.

2014-06-10 07:29:19 Tree
[r23772] by bugman

Added the full optimisation results for the free rotor pseudo-ellipse frame order model.

This is for the CaM test data using the new frame_order.py optimisation script.

2014-06-10 07:27:41 Tree
[r23771] by bugman

Fix for the free rotor PDB representation created by the frame_order.pdb_model user function.

The simulation axes were being incorrectly generated from the theta and phi angles, which no longer
exist as they have been replaced by the alpha angle.

2014-06-10 07:15:53 Tree
[r23770] by tlinnet

Made the logic and comments much clearer about how to reshape, expand axis, and tile numpy arrays.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-09 23:21:14 Tree
[r23769] by tlinnet

Restored profiling script to normal.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-09 23:02:06 Tree
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