r10231 - /branches/bieri_gui/gui_bieri/relax_gui.py -- January 15, 2010 - 11:03

Author: bugman
Date: Fri Jan 15 11:03:40 2010
New Revision: 10231

URL: http://svn.gna.org/viewcvs/relax?rev=10231&view=rev
Log:
Expansion of exec_model_free() in preparation for rearrangements in the 
calc_modelfree module.

This corresponds to one component of the patch_II file attached to 
https://gna.org/task/?6847 by
Michael Bieri (https://gna.org/users/michaelbieri).


Modified:
    branches/bieri_gui/gui_bieri/relax_gui.py

Modified: branches/bieri_gui/gui_bieri/relax_gui.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/relax_gui.py?rev=10231&r1=10230&r2=10231&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/relax_gui.py (original)
+++ branches/bieri_gui/gui_bieri/relax_gui.py Fri Jan 15 11:03:40 2010
@@ -2788,10 +2788,55 @@
         self.resultsdir_r21_copy_2.SetValue(results_dir_model)
         event.Skip()
 
-    def exec_model_free(self, event):
-        which_model = buttonbox(msg='Start relax?', title='relaxGUI', 
choices=('local_tm', 'sphere', 'oblate', 'prolate', 'ellipsoid','final', 
'cancel'), 
image=sys.path[-1]+sep+'gui_bieri'+sep+'res'+sep+'pics'+sep+'relax.gif', 
root=None) 
-        if not which_model == 'cancel':
-           start_model_free(self, which_model)
+    def exec_model_free(self, event):     # start model-free calculation by 
relax
+        
+        checkpoint = check_entries(self)
+        if checkpoint == False:
+           which_model = None
+        else:
+           which_model = whichmodel() 
+
+        # start individual calculations
+        if not which_model == None:
+     
+           if not which_model == 'full':
+              if not which_model == 'final':
+
+                 # run sphere, prolate, oblate or ellipsoid
+                 start_model_free(self, which_model, False, global_setting, 
file_setting, sequencefile)
+              else:
+ 
+                 # run final run
+                 results_for_table = start_model_free(self, which_model, 
False, global_setting, file_setting, sequencefile) 
+
+                 # import global variables for results table
+                 global table_residue
+                 global table_model
+                 global table_s2
+                 global table_rex
+                 global table_te 
+
+                 # set global results variables
+                 table_residue = results_for_table[0]
+                 table_model = results_for_table[1]
+                 table_s2 = results_for_table[2]
+                 table_rex = results_for_table[3]
+                 table_te = results_for_table[4]
+       
+
+           # start full automatic model-free analysis
+           if which_model == 'full':
+              model1 = start_model_free(self, 'local_tm', True, 
global_setting, file_setting, sequencefile)    # execute local_tm
+              if model1 == 'successful':
+                 model2 = start_model_free(self, 'sphere', True, 
global_setting, file_setting, sequencefile)        # execute sphere
+                 if model2 == 'successful':
+                    model3 = start_model_free(self, 'prolate', True, 
global_setting, file_setting, sequencefile)         # execute prolate
+                    if model3 == 'successful':
+                       model4 = start_model_free(self, 'oblate', True, 
global_setting, file_setting, sequencefile)         # execute oblate
+                       if model4 == 'successful':
+                          model5 = start_model_free(self, 'ellipsoid', True, 
global_setting, file_setting, sequencefile)      # execute ellipsoid
+                          if model5 == 'successful':
+                             model6 = start_model_free(self, 'final', False, 
global_setting, file_setting, sequencefile)        # execute final analysis   
         event.Skip()   
 
     def open_noe_results_exe(self, event): #open results of noe run