relax SVN archive

Bug fix for the updating of the Model_class.params list with 'r1'.

The is_r1_optimised() function needs to be called!

The is_r1_optimised() function now checks MODEL_LIST_FIT_R1.

If the model is not in MODEL_LIST_FIT_R1, i.e. R1 optimisation is not supported, then the function
will return False.

Created the MODEL_LIST_FIT_R1 variable to keep track of dispersion models with R1 fitting support.

Merged revisions 25134-25150 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r25134 | bugman | 2014-08-21 09:33:15 +0200 (Thu, 21 Aug 2014) | 7 lines

Fixes for the relaxation dispersion loop_parameters() function.

The R1, R20, R20A, R20B (and R1rho_prime, R1rho_primeA, R1rho_primeB) parameters are now checked for
in each spin container rather than just the first of the cluster. This should make no difference as
all spins should have the same model and parameters, but it might be a source of bugs in the future.
........
r25135 | bugman | 2014-08-21 09:57:07 +0200 (Thu, 21 Aug 2014) | 5 lines

The r1_fit flag is now used to switch between dispersion target functions.

This is as described in http://thread.gmane.org/gmane.science.nmr.relax.scm/22850/focus=6736.

The change makes the '* R1 fit' models now redundant.
........
r25136 | bugman | 2014-08-21 09:57:09 +0200 (Thu, 21 Aug 2014) | 3 lines

Removed all of the '* R1 fit' models out of the relax_disp.select_model user function frontend.

These models are now redundant as the question of R1 fitting is now determined internally in relax.
........
r25137 | bugman | 2014-08-21 09:57:11 +0200 (Thu, 21 Aug 2014) | 3 lines

Removed all of the MODEL_*_FIT_R1 dependencies from the specific_analyses.relax_disp package.

These models are now redundant as the question of R1 fitting is now determined internally in relax.
........
r25138 | bugman | 2014-08-21 09:57:12 +0200 (Thu, 21 Aug 2014) | 3 lines

Fix for the specific_analyses.relax_disp.data.is_r1_optimised() function for on-resonance R1rho data.

This function needs to specifically catch these models.
........
r25139 | bugman | 2014-08-21 09:57:14 +0200 (Thu, 21 Aug 2014) | 3 lines

Fix for the MODEL_LIST_R1RHO variable.

Recent changes causes this to not include the on-resonance R1rho dispersion models.
........
r25140 | bugman | 2014-08-21 09:57:16 +0200 (Thu, 21 Aug 2014) | 3 lines

Import fix for the Relax_disp.test_model_nesting_and_param system test.

Somehow the import of the convert_no_rex() function was lost.
........
r25141 | bugman | 2014-08-21 09:57:17 +0200 (Thu, 21 Aug 2014) | 3 lines

Import fix for the specific_analyses.relax_disp.model module.

One of the dispersion variables were lost.
........
r25142 | bugman | 2014-08-21 09:57:19 +0200 (Thu, 21 Aug 2014) | 1 line

Modified the MODEL_LIST_R1RHO_OFF_RES list to include MODEL_NOREX_R1RHO.
........
r25143 | bugman | 2014-08-21 09:57:21 +0200 (Thu, 21 Aug 2014) | 3 lines

Missing import in the specific_analyses.relax_disp.parameters module.

This was preventing the r1_setup() function from working.
........
r25144 | bugman | 2014-08-21 09:57:23 +0200 (Thu, 21 Aug 2014) | 3 lines

The specific_analyses.relax_disp.parameters.r1_setup() function is now being called.

This happens before the R1 data is returned in the Disp_minimise_command class.
........
r25145 | bugman | 2014-08-21 09:57:24 +0200 (Thu, 21 Aug 2014) | 6 lines

The dispersion auto-analysis now handles the optional R1 parameter correctly.

The value.set user function was no longer setting the R1 parameter to the default value when the
grid search was deactivated, as it is no longer in MODEL_PARAMS. So instead the new
is_r1_optimised() function is being used to decide if the value.set user function should set the
'r1' parameter value.
........
r25146 | bugman | 2014-08-21 09:57:26 +0200 (Thu, 21 Aug 2014) | 4 lines

The dispersion loop_parameter() function now calls r1_setup() to handle R1 parameters correctly.

This allows the R1 parameter to be removed or added to the parameter list prior to looping over the
parameters of the model. The change is required to allow for the dynamic handling of R1 parameters.
........
r25147 | bugman | 2014-08-21 09:57:28 +0200 (Thu, 21 Aug 2014) | 4 lines

The dispersion back_calc_r2eff() function can now handle the dynamic R1 parameter.

This required a call to r1_setup() to add or remove the parameter, and is_r1_optimised() to obtain
the r1_fit flag to be sent into the target function class.
........
r25148 | bugman | 2014-08-21 09:57:31 +0200 (Thu, 21 Aug 2014) | 3 lines

Fixes for a bad update and merger from upstream.

Some imports were lost in the specific_analyses.relax_disp.model module.
........
r25149 | bugman | 2014-08-21 10:25:04 +0200 (Thu, 21 Aug 2014) | 6 lines

Updated the specific_analyses.relax_disp.model.Model_class class to handle the dynamic R1 parameter.

The class variable self.params now has the 'r1' parameter prepended to the list if is_r1_optimised()
returns True.
........
r25150 | bugman | 2014-08-21 10:32:16 +0200 (Thu, 21 Aug 2014) | 5 lines

More changes for specific_analyses.relax_disp.model.Model_class for the dynamic R1 parameter.

The 'r1' parameter is only prepended to self.params if it is not already in the list.
........

More changes for specific_analyses.relax_disp.model.Model_class for the dynamic R1 parameter.

The 'r1' parameter is only prepended to self.params if it is not already in the list.

Updated the specific_analyses.relax_disp.model.Model_class class to handle the dynamic R1 parameter.

The class variable self.params now has the 'r1' parameter prepended to the list if is_r1_optimised()
returns True.

Fixes for a bad update and merger from upstream.

Some imports were lost in the specific_analyses.relax_disp.model module.

The dispersion back_calc_r2eff() function can now handle the dynamic R1 parameter.

This required a call to r1_setup() to add or remove the parameter, and is_r1_optimised() to obtain
the r1_fit flag to be sent into the target function class.

The dispersion loop_parameter() function now calls r1_setup() to handle R1 parameters correctly.

This allows the R1 parameter to be removed or added to the parameter list prior to looping over the
parameters of the model. The change is required to allow for the dynamic handling of R1 parameters.

The dispersion auto-analysis now handles the optional R1 parameter correctly.

The value.set user function was no longer setting the R1 parameter to the default value when the
grid search was deactivated, as it is no longer in MODEL_PARAMS. So instead the new
is_r1_optimised() function is being used to decide if the value.set user function should set the
'r1' parameter value.