r21562 - in /branches/relax_disp/specific_analyses/relax_disp: api.py disp_data.py parameters.py -- November 20, 2013 - 20:05

Author: bugman
Date: Wed Nov 20 20:05:52 2013
New Revision: 21562

URL: http://svn.gna.org/viewcvs/relax?rev=21562&view=rev
Log:
Bug fixes for the model_loop() method no longer skipping deselected spins.

This is needed for model selection when the spins from all data pipes are 
deselected.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/api.py
    branches/relax_disp/specific_analyses/relax_disp/disp_data.py
    branches/relax_disp/specific_analyses/relax_disp/parameters.py

Modified: branches/relax_disp/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?rev=21562&r1=21561&r2=21562&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/api.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/api.py Wed Nov 20 
20:05:52 2013
@@ -1069,11 +1069,19 @@
         # The number of points from all spins.
         n = 0
         for spin in spins:
+            # Skip deselected spins.
+            if not spin.select:
+                continue
+
             n += len(spin.r2eff)
 
         # Take the chi-squared from the first spin of the cluster (which has 
a value).
         chi2 = None
         for spin in spins:
+            # Skip deselected spins.
+            if not spin.select:
+                continue
+
             if hasattr(spin, 'chi2'):
                 chi2 = spin.chi2
                 break

Modified: branches/relax_disp/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/disp_data.py?rev=21562&r1=21561&r2=21562&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/disp_data.py Wed Nov 20 
20:05:52 2013
@@ -609,7 +609,7 @@
     if not hasattr(cdp, 'clustering'):
         for spin, spin_id in spin_loop(return_id=True, 
skip_desel=skip_desel):
             # Skip protons for MMQ data.
-            if spin.model in MODEL_LIST_MMQ and spin.isotope == '1H':
+            if hasattr(spin, 'model') and spin.model in MODEL_LIST_MMQ and 
spin.isotope == '1H':
                 continue
 
             # Return the spin ID as a list.
@@ -632,7 +632,7 @@
                     continue
 
                 # Skip protons for MMQ data.
-                if spin.model in MODEL_LIST_MMQ and spin.isotope == '1H':
+                if hasattr(spin, 'model') and spin.model in MODEL_LIST_MMQ 
and spin.isotope == '1H':
                     continue
 
                 # Add the spin ID.
@@ -649,7 +649,7 @@
                 continue
 
             # Skip protons for MMQ data.
-            if spin.model in MODEL_LIST_MMQ and spin.isotope == '1H':
+            if hasattr(spin, 'model') and spin.model in MODEL_LIST_MMQ and 
spin.isotope == '1H':
                 continue
 
             # Yield each spin individually.

Modified: branches/relax_disp/specific_analyses/relax_disp/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/parameters.py?rev=21562&r1=21561&r2=21562&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/parameters.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/parameters.py Wed Nov 20 
20:05:52 2013
@@ -778,12 +778,20 @@
 
     # Check the spin cluster.
     for spin in spins:
+        # Skip deselected spins.
+        if not spin.select:
+            continue
+
         if len(spin.params) != len(spins[0].params):
             raise RelaxError("The number of parameters for each spin in the 
cluster are not the same.")
 
     # Count the number of R20 parameters.
     r20_params = ['r2', 'r2a', 'r2b']
     for spin in spins:
+        # Skip deselected spins.
+        if not spin.select:
+            continue
+
         for i in range(len(spin.params)):
             if spin.params[i] in r20_params:
                 for exp_type, frq in loop_exp_frq():
@@ -792,15 +800,25 @@
     # Count the number of spin specific parameters for all spins.
     spin_params = ['phi_ex', 'phi_ex_B', 'phi_ex_C', 'padw2', 'dw', 'dwH']
     for spin in spins:
+        # Skip deselected spins.
+        if not spin.select:
+            continue
+
         for i in range(len(spin.params)):
             if spin.params[i] in spin_params:
                 num += 1
 
     # Count all other parameters, but only for a single spin.
     all_params = r20_params + spin_params
-    for i in range(len(spins[0].params)):
-        if not spins[0].params[i] in all_params:
-            num += 1
+    for spin in spins:
+        # Skip deselected spins.
+        if not spin.select:
+            continue
+
+        for i in range(len(spin.params)):
+            if not spin.params[i] in all_params:
+                num += 1
+        break
 
     # Return the number.
     return num