relax SVN archive

Added system test for reading CcpNmr Analysis exported sparky file

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Added example of CcpNmr analysis exported Sparky file.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Extended reading of spins from sparky files for up to two dimensional assignments.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Implemented system test for using double assignments in sparky formatted files.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Modified sparky peak list for two dimensional assignment example.

This will typically be the export from CcpNmr Analysis.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Extended system test for reading spins from SPARKY files with empty residue name+number second dimension assignment.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Improved the printout of the relax_disp.r2eff_read_spin user function for the R2eff keys.

Reverted r21803 as this change was rubbish.

The command used was:
svn merge -r21803:r21802 .

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r21803 | bugman | 2013-12-06 09:07:56 +0100 (Fri, 06 Dec 2013) | 5 lines
Changed paths:
M /trunk/specific_analyses/relax_disp/disp_data.py

Neutralised the negative sign of the 15N gyromagnetic ratio in the return_offset_data() method.

This is to match the behaviour of Dmitry Korzhnev's cpmg_fit software.
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Fix for a bug introduced in the last commit (r21832).

Redesign of the CPMG frequency and spin-lock field strength data structures.

These now have an extra dimension for the offset so that the values are now experiment, magnetic
field strength and offset dependent. If many offsets are present but are variable for each
dispersion point, then this saves a lot of calculation time. This mainly affects R1rho-type data.
To better handle this, all of the specific_analyses.relax_disp.disp_data.loop_*() functions have
been modified to accept data values rather than indices.