r5137 - /1.3/specific_fns/model_free/model_free.py -- March 22, 2008 - 15:46

Author: bugman
Date: Sat Mar 22 15:22:52 2008
New Revision: 5137

URL: http://svn.gna.org/viewcvs/relax?rev=5137&view=rev
Log:
Updated the model-free determine_param_set_type() method to the new relax 
design.


Modified:
    1.3/specific_fns/model_free/model_free.py

Modified: 1.3/specific_fns/model_free/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/model_free.py?rev=5137&r1=5136&r2=5137&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/model_free.py (original)
+++ 1.3/specific_fns/model_free/model_free.py Sat Mar 22 15:22:52 2008
@@ -802,50 +802,54 @@
         self.relax.generic.runs.eliminate_unused_runs()
 
 
-    def determine_param_set_type(self, run=None):
-        """Determine the type of parameter set."""
-
-        # Run name.
-        if run:
-            self.run = run
+    def determine_param_set_type(self):
+        """Determine the type of parameter set.
+
+        @return:    The name of the parameter set, which is one of 'all', 
'diff', 'mf', or
+                    'local_tm'.
+        @rtype:     str
+        """
+
+        # Alias the current data pipe.
+        cdp = relax_data_store[relax_data_store.current_pipe]
 
         # Test if sequence data is loaded.
-        if not relax_data_store.res.has_key(self.run):
-            raise RelaxNoSequenceError, self.run
+        if not exists_mol_res_spin_data():
+            raise RelaxNoSequenceError
 
         # If there is a local tm, fail if not all residues have a local tm 
parameter.
         local_tm = 0
-        for i in xrange(len(relax_data_store.res[self.run])):
+        for spin in spin_loop():
             # Skip unselected residues.
             # This code causes a bug after model elimination if the model 
has been eliminated (select = 0).
-            #if not relax_data_store.res[self.run][i].select:
+            #if not spin.select:
             #    continue
 
             # No params.
-            if not hasattr(relax_data_store.res[self.run][i], 'params') or 
not relax_data_store.res[self.run][i].params:
+            if not hasattr(spin, 'params') or not spin.params:
                 continue
 
             # Local tm.
-            if local_tm == 0 and 'local_tm' in 
relax_data_store.res[self.run][i].params:
+            if local_tm == 0 and 'local_tm' in spin.params:
                 local_tm = 1
 
             # Inconsistencies.
-            elif local_tm == 1 and not 'local_tm' in 
relax_data_store.res[self.run][i].params:
+            elif local_tm == 1 and not 'local_tm' in spin.params:
                 raise RelaxError, "All residues must either have a local tm 
parameter or not."
 
         # Check if any model-free parameters are allowed to vary.
         mf_all_fixed = 1
-        for i in xrange(len(relax_data_store.res[self.run])):
+        for spin in spin_loop():
             # Skip unselected residues.
             # This code causes a bug after model elimination if the model 
has been eliminated (select = 0).
-            #if not relax_data_store.res[self.run][i].select:
+            #if not spin.select:
             #    continue
 
             # Test the fixed flag.
-            if not hasattr(relax_data_store.res[self.run][i], 'fixed'):
+            if not hasattr(spin, 'fixed'):
                 mf_all_fixed = 0
                 break
-            if not relax_data_store.res[self.run][i].fixed:
+            if not spin.fixed:
                 mf_all_fixed = 0
                 break
 
@@ -854,19 +858,19 @@
             return 'local_tm'
 
         # Test if the diffusion tensor data is loaded.
-        if not relax_data_store.diff.has_key(self.run):
-            raise RelaxNoTensorError, self.run
+        if not diff_data_exists():
+            raise RelaxNoTensorError, 'diffusion'
 
         # 'diff' parameter set.
         if mf_all_fixed:
-            # All parameters fixed.
-            if relax_data_store.diff[self.run].fixed:
+            # All parameters fixed!
+            if cdp.diff.fixed:
                 raise RelaxError, "All parameters are fixed."
 
             return 'diff'
 
         # 'mf' parameter set.
-        if relax_data_store.diff[self.run].fixed:
+        if cdp.diff.fixed:
             return 'mf'
 
         # 'all' parameter set.