relax SVN archive

Created the lib.geometry.lines module for performing geometric operations with lines.

This has one stub of a function lib.geometry.lines.closest_point() which will be used to find the
closest point on a line to a given point.

Created the lib.text package for text manipulation.

The first module will be the text formatting of tables.

Merged revisions 18657,18659-18660 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18657 | bugman | 2013-03-06 11:11:05 +0100 (Wed, 06 Mar 2013) | 8 lines

Removed the prune parameter from the backend of the monte_carlo.error_analysis user function.

This was a dangerous parameter used to mimic the 'Trim' parameter from the Modelfree4 program. The
result is bad statistics. The probable reason for the 'Trim' parameter was the failure of
model-free models in the simulations, but this issue was solved using model elimination (see
http://www.nmr-relax.com/refs.html#dAuvergneGooley06).
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r18659 | bugman | 2013-03-06 17:33:01 +0100 (Wed, 06 Mar 2013) | 5 lines

Created the Structure.test_read_xyz_strychnine system test to demonstrate a bug in the XYZ parser.

This is for the reading of XYZ structure files.
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r18660 | bugman | 2013-03-06 17:37:24 +0100 (Wed, 06 Mar 2013) | 6 lines

Bug fix for the XYZ 3D structure file reader.

The atom name is now correctly set up for each atom in the file. The element type setting has also
been simplified.
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Bug fix for the XYZ 3D structure file reader.

The atom name is now correctly set up for each atom in the file. The element type setting has also
been simplified.

Created the Structure.test_read_xyz_strychnine system test to demonstrate a bug in the XYZ parser.

This is for the reading of XYZ structure files.

Added the optimisation log for the displacement frame order test suite data.

Removed the prune parameter from the backend of the monte_carlo.error_analysis user function.

This was a dangerous parameter used to mimic the 'Trim' parameter from the Modelfree4 program. The
result is bad statistics. The probable reason for the 'Trim' parameter was the failure of
model-free models in the simulations, but this issue was solved using model elimination (see
http://www.nmr-relax.com/refs.html#dAuvergneGooley06).

Updated all the chi2 tests in the frame order system tests for the higher precision Sobol' points.

The Sobol' point data structure is now float32.

The float16 was used to help with data transfers for the multi-processor. However it has the
problem of producing different results on machines where numpy.float16 does not exist. The single
precision is sufficient for the uni-processor operation.

The free rotor axis parameters are now part of the grid search in the frame order auto-analysis.

This is because the mapping {a, b, g} to {0, b', g'} does not mean that b=b' and g=g'!