relax SVN archive

Some more speed ups for the R1rho dispersion models.

For many models, the square of the spin-lock field strength is a part of the equations. Therefore
this is now pre-calculated when the target function is initialised.

Added the conversion to k_AB from kex and pA. k_AB = kex * (1.0 - pA).

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Optimized the target function for model TSMFK.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Added to calculate the tau_cpmg times when model is TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Added the write-out of 'dw' and 'k_AB' for model TSMFK01, when performing auto-analysis.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Some small speed ups for the TP02 R1rho dispersion model optimisation.

Some unneeded calculations and aliases were removed.

Speed ups for the optimisation of all of the R1rho dispersion models.

The spin-lock field strength data structure is now converted from Hz to rad.s^-1 in the dispersion
target function initialisation. Previously the conversion was happening multiple times per target
function call. This has a noticeable effect on the test suite timings.

The return_cpmg_frqs() and return_spin_lock_nu1() functions now return numpy arrays.

These are functions from specific_analyses.relax_disp.disp_data.

Added the button for the interatom.define user function in preparation for the MQ dispersion data.

This is in the dispersion tab of the GUI.

Merged revisions 20957 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r20957 | bugman | 2013-09-10 11:15:05 +0200 (Tue, 10 Sep 2013) | 3 lines

Update of the description of the interatom.define user function.
........