r21180 - /branches/relax_disp/gui/analyses/auto_relax_disp.py -- October 18, 2013 - 16:19

Author: bugman
Date: Fri Oct 18 16:19:06 2013
New Revision: 21180

URL: http://svn.gna.org/viewcvs/relax?rev=21180&view=rev
Log:
Created a GUI element for the numeric_only flag of the auto-analysis for the 
dispersion GUI tab.

This defaults to false to allow all model types to be used.


Modified:
    branches/relax_disp/gui/analyses/auto_relax_disp.py

Modified: branches/relax_disp/gui/analyses/auto_relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/gui/analyses/auto_relax_disp.py?rev=21180&r1=21179&r2=21180&view=diff
==============================================================================
--- branches/relax_disp/gui/analyses/auto_relax_disp.py (original)
+++ branches/relax_disp/gui/analyses/auto_relax_disp.py Fri Oct 18 16:19:06 
2013
@@ -114,6 +114,7 @@
             ds.relax_gui.analyses[data_index].pipe_bundle = pipe_bundle
 
             # Initialise the variables.
+            ds.relax_gui.analyses[data_index].numeric_only = False
             ds.relax_gui.analyses[data_index].grid_inc = None
             ds.relax_gui.analyses[data_index].mc_sim_num = None
             ds.relax_gui.analyses[data_index].pre_run_dir = None
@@ -284,6 +285,9 @@
             if model != MODEL_NOREX and model in MODEL_LIST_R1RHO and not 
has_r1rho_exp_type():
                 model_mismatch.append([model, 'R1rho'])
 
+        # The numeric only solution.
+        data.numeric_only = self.numeric_only.GetValue()
+
         # Increment size.
         data.inc = gui_to_int(self.grid_inc.GetValue())
 
@@ -341,8 +345,14 @@
         self.model_field = Disp_model_list(self, box)
         self.model_field.set_value(self.data.disp_models)
 
-        # The optimisation settings.
+        # The numeric only solution.
+        tooltip = "The class of models to use in the final model 
selection.\n\nThe default of False allows all dispersion models to be 
compared for statistical significance in the analysis (no exchange, the 
analytic models and the numeric models).  The value of True will activate a 
pure numeric solution - the analytic models will be optimised, as they are 
very useful for replacing the grid search for the numeric models, but the 
final model selection will not include them."
+        self.numeric_only = Boolean_ctrl(box, self, text="Pure numeric 
solutions:", default=False, tooltip=tooltip, width_text=self.width_text, 
width_button=self.width_button, spacer=self.spacer_horizontal)
+
+        # The grid search optimisation settings.
         self.grid_inc = Spin_ctrl(box, self, text="Grid search increments:", 
default=21, min=1, max=100, tooltip="This is the number of increments per 
dimension of the grid search performed prior to numerical optimisation.", 
width_text=self.width_text, width_button=self.width_button, 
spacer=self.spacer_horizontal)
+
+        # The MC simulation settings.
         self.mc_sim_num = Spin_ctrl(box, self, text="Monte Carlo simulation 
number:", default=500, min=1, max=100000, tooltip="This is the number of 
Monte Carlo simulations performed for error propagation and analysis.  For 
best results, at least 500 is recommended.", width_text=self.width_text, 
width_button=self.width_button, spacer=self.spacer_horizontal)
         self.mc_sim_all_models = Boolean_ctrl(box, self, text="Per model 
error analysis:", default=False, tooltip="A flag which if True will cause 
Monte Carlo simulations to be performed for each individual model.  Otherwise 
Monte Carlo simulations will be reserved for the final model.", 
width_text=self.width_text, width_button=self.width_button, 
spacer=self.spacer_horizontal)
 
@@ -570,6 +580,12 @@
         @keyword upload:    A flag which if True will cause the frame to 
send data to the relax data store.  If False, data will be downloaded from 
the relax data store to update the frame.
         @type upload:       bool
         """
+
+        # The numeric solution only flag.
+        if upload:
+            self.data.numeric_only = self.numeric_only.GetValue()
+        elif hasattr(self.data, 'numeric_only'):
+            self.numeric_only.SetValue(bool(self.data.numeric_only))
 
         # The grid incs.
         if upload:
@@ -657,7 +673,7 @@
         Relax_disp.opt_max_iterations = self.data.opt_max_iterations
 
         # Execute.
-        Relax_disp(pipe_name=self.data.pipe_name, 
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, 
models=self.data.models, grid_inc=self.data.inc, 
mc_sim_num=self.data.mc_sim_num, pre_run_dir=self.data.pre_run_dir, 
mc_sim_all_models=self.data.mc_sim_all_models)
+        Relax_disp(pipe_name=self.data.pipe_name, 
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, 
models=self.data.models, grid_inc=self.data.inc, 
mc_sim_num=self.data.mc_sim_num, pre_run_dir=self.data.pre_run_dir, 
mc_sim_all_models=self.data.mc_sim_all_models, 
numeric_only=self.data.numeric_only)
 
         # Alias the relax data store data.
         data = ds.relax_gui.analyses[self.data_index]