r22455 - /trunk/specific_analyses/relax_disp/api.py -- March 12, 2014 - 11:16

Author: tlinnet
Date: Wed Mar 12 11:16:55 2014
New Revision: 22455

URL: http://svn.gna.org/viewcvs/relax?rev=22455&view=rev
Log:
Extendend API function in specific_analysis.relax_disp.api to calculate and 
return values for parameter theta() when this is requested.

Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs 
production for R1rho analysis with R2_eff as function of Omega_eff.

Implemented according to 
http://www.mail-archive.com/relax-devel@xxxxxxx/msg05082.html.

Modified:
    trunk/specific_analyses/relax_disp/api.py

Modified: trunk/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=22455&r1=22454&r2=22455&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py   (original)
+++ trunk/specific_analyses/relax_disp/api.py   Wed Mar 12 11:16:55 2014
@@ -46,7 +46,7 @@
 from specific_analyses.api_base import API_base
 from specific_analyses.api_common import API_common
 from specific_analyses.relax_disp.checks import check_c_modules, 
check_disp_points, check_exp_type, check_exp_type_fixed_time, 
check_model_type, check_pipe_type, check_spectra_id_setup
-from specific_analyses.relax_disp.disp_data import average_intensity, 
find_intensity_keys, get_curve_type, has_exponential_exp_type, 
has_proton_mmq_cpmg, loop_cluster, loop_exp_frq_offset_point, 
loop_exp_frq_offset_point_time, loop_frq, loop_time, pack_back_calc_r2eff, 
return_cpmg_frqs, return_index_from_disp_point, return_index_from_exp_type, 
return_index_from_frq, return_offset_data, return_param_key_from_data, 
return_r1_data, return_r2eff_arrays, return_spin_lock_nu1, 
spin_ids_to_containers
+from specific_analyses.relax_disp.disp_data import average_intensity, 
calc_rotating_frame_params, find_intensity_keys, get_curve_type, 
has_exponential_exp_type, has_proton_mmq_cpmg, loop_cluster, 
loop_exp_frq_offset_point, loop_exp_frq_offset_point_time, loop_frq, 
loop_time, pack_back_calc_r2eff, return_cpmg_frqs, 
return_index_from_disp_point, return_index_from_exp_type, 
return_index_from_frq, return_offset_data, return_param_key_from_data, 
return_r1_data, return_r2eff_arrays, return_spin_lock_nu1, 
spin_ids_to_containers
 from specific_analyses.relax_disp.optimisation import Disp_memo, 
Disp_minimise_command, back_calc_r2eff, grid_search_setup
 from specific_analyses.relax_disp.parameters import assemble_param_vector, 
assemble_scaling_matrix, disassemble_param_vector, get_param_names, 
get_value, linear_constraints, loop_parameters, param_index_to_param_info, 
param_num
 from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_PROTON_MQ, 
EXP_TYPE_CPMG_PROTON_SQ, MODEL_LIST_FULL, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_MMQ, 
MODEL_M61, MODEL_M61B, MODEL_MMQ_CR72, MODEL_MP05, MODEL_NOREX, 
MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, 
MODEL_TSMFK01
@@ -1436,9 +1436,18 @@
             return returnval
 
         # If parameter in special_parameters, the do the following.
-        else:
-            returnval = self._return_value_general(spin=spin, param=param, 
sim=sim, bc=bc)
-            return returnval
+
+        # Initial values.
+        value = None
+        error = None
+
+        # Return for parameter theta
+        if param == "theta":
+            theta_spin_dic, Domega_spin_dic, w_eff_spin_dic, dic_key_list = 
calc_rotating_frame_params(spin=spin)
+            value = theta_spin_dic
+
+        # Return the data.
+        return value, error
 
 
     def set_error(self, model_info, index, error):