relax SVN archive

Merged revisions 22039-22040 via svnmerge from
svn+ssh://bugman@.../svn/relax/branches/double_rotor

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r22039 | bugman | 2014-01-21 11:43:21 +0100 (Tue, 21 Jan 2014) | 7 lines

Reintroduced the distribution PDB file creation to the frame order test data generation script.

This is the generate_base.py script in the test_suite/shared_data/frame_order/cam directory. The
ability to create the distribution.pdb file was long lost in this script, and can now be activated
using the DIST_PDB class variable.
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r22040 | bugman | 2014-01-22 11:19:22 +0100 (Wed, 22 Jan 2014) | 6 lines

The Frame Order test data generation base script now loads all structures before rotating them.

This allows the progress printout to function correctly by not having any user function printouts
as the rotations are occurring.
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Merged revisions 22022-22023 via svnmerge from
svn+ssh://bugman@.../svn/relax/branches/double_rotor

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r22022 | bugman | 2014-01-16 18:39:42 +0100 (Thu, 16 Jan 2014) | 3 lines

Created a directory for holding the CaM double rotor frame order synthetic data.
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r22023 | bugman | 2014-01-17 09:40:42 +0100 (Fri, 17 Jan 2014) | 3 lines

Capitalised the pivot and CoM variables in the base frame order distribution generation script.
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Initialized merge tracking via "svnmerge" with revisions "1-21950" from
svn+ssh://bugman@.../svn/relax/branches/double_rotor

The centre of mass printout in the frame order target function setup now uses the verbosity argument.

This means that the printout is not shown for the Monte Carlo simulation optimisation.

Fixes for all of the CaM frame order optimisation scripts in the test data directories.

The frame_order.average_position user function is now essential.

Fixed a missing import.

Fix for the CaM frame order system tests.

The axis alpha angle and pivot shifting to the closest point to the CoM in the base system test
script now only happens for the 'rotor' and 'free rotor' models. This allows the tests for the
isotropic cone models to pass again.

Merged revisions 22620 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22620 | bugman | 2014-03-31 23:34:48 +0200 (Mon, 31 Mar 2014) | 14 lines

Reverted r22618 as it was non-functional.

The command used was:
svn merge -r22618:22617 .

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r22618 | bugman | 2014-03-31 23:22:02 +0200 (Mon, 31 Mar 2014) | 5 lines

Added the -B Python flag to the main file for launching relax.

This is to prevent the byte-compiled files being produced when not already present.
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Reverted r22618 as it was non-functional.

The command used was:
svn merge -r22618:22617 .

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r22618 | bugman | 2014-03-31 23:22:02 +0200 (Mon, 31 Mar 2014) | 5 lines

Added the -B Python flag to the main file for launching relax.

This is to prevent the byte-compiled files being produced when not already present.
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Merged revisions 22618 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22618 | bugman | 2014-03-31 23:22:02 +0200 (Mon, 31 Mar 2014) | 5 lines

Added the -B Python flag to the main file for launching relax.

This is to prevent the byte-compiled files being produced when not already present.
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