r20860 - /branches/relax_disp/gui/analyses/auto_relax_disp.py -- September 05, 2013 - 18:53

Author: bugman
Date: Thu Sep  5 18:53:22 2013
New Revision: 20860

URL: http://svn.gna.org/viewcvs/relax?rev=20860&view=rev
Log:
The GUI now warns if the user choses inappropriate models.

When clicking on 'Execute', an error message appears if R1rho models are 
selected for CPMG data and
vice versa.  This is simply for more intuitive user feedback.


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=20860&r1=20859&r2=20860&view=diff
==============================================================================
--- branches/relax_disp/gui/analyses/auto_relax_disp.py (original)
+++ branches/relax_disp/gui/analyses/auto_relax_disp.py Thu Sep  5 18:53:22 
2013
@@ -47,7 +47,8 @@
 from gui.wizards.peak_intensity import Peak_intensity_wizard
 from pipe_control.mol_res_spin import exists_mol_res_spin_data, spin_loop
 from pipe_control.pipes import has_bundle, has_pipe
-from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG, 
EXP_TYPE_LIST_VAR_TIME, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_CPMG_FULL, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_M61, MODEL_M61B, 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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02
+from specific_analyses.relax_disp.disp_data import has_cpmg_exp_type, 
has_r1rho_exp_type
+from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG, 
EXP_TYPE_LIST_VAR_TIME, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, 
MODEL_M61B, 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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02
 from status import Status; status = Status()
 
 
@@ -223,13 +224,14 @@
     def assemble_data(self):
         """Assemble the data required for the Auto_noe class.
 
-        @return:    A container with all the data required for the 
auto-analysis.
-        @rtype:     class instance, list of str
+        @return:    A container with all the data required for the 
auto-analysis, the missing list, and a list of models that don't match the 
experiment types.
+        @rtype:     class instance, list of str, list of str
         """
 
         # The data container.
         data = Container()
         missing = []
+        model_mismatch = []
 
         # The pipe name and bundle.
         data.pipe_name = self.data.pipe_name
@@ -259,6 +261,16 @@
         # The dispersion models.
         data.models = self.model_field.GetValue()
 
+        # Invalid models.
+        for model in data.models:
+            # Invalid CPMG models.
+            if model != MODEL_NOREX and model in MODEL_LIST_CPMG and not 
has_cpmg_exp_type():
+                model_mismatch.append([model, 'CPMG'])
+
+            # Invalid R1rho models.
+            if model != MODEL_NOREX and model in MODEL_LIST_R1RHO and not 
has_r1rho_exp_type():
+                model_mismatch.append([model, 'R1rho'])
+
         # Increment size.
         data.inc = gui_to_int(self.grid_inc.GetValue())
 
@@ -270,8 +282,8 @@
         data.opt_func_tol = self.opt_func_tol
         data.opt_max_iterations = self.opt_max_iterations
 
-        # Return the container and list of missing data.
-        return data, missing
+        # Return the container, the list of missing data, and any models 
that don't match the experiment types.
+        return data, missing, model_mismatch
 
 
     def build_right_box(self):
@@ -365,11 +377,22 @@
         self.sync_ds(upload=True)
 
         # Assemble all the data needed for the auto-analysis.
-        data, missing = self.assemble_data()
+        data, missing, model_mismatch = self.assemble_data()
 
         # Missing data.
         if len(missing):
             Missing_data(missing)
+            return
+
+        # Model mismatch.
+        if len(model_mismatch):
+            # Generate the text.
+            text = ''
+            for model, exp in model_mismatch:
+                text += "The '%s' %s model cannot be used as no %s 
experiment types have been set up.\n" % (model, exp, exp)
+
+            # The error message.
+            error_message(text, caption='Model mismatch')
             return
 
         # Display the relax controller, and go to the end of the log window.