r15032 - /branches/frame_order_testing/specific_fns/frame_order.py -- December 05, 2011 - 16:52

Author: bugman
Date: Mon Dec  5 16:52:52 2011
New Revision: 15032

URL: http://svn.gna.org/viewcvs/relax?rev=15032&view=rev
Log:
The RDC and PCS data is now only taken for the moving domain in the frame 
order analysis.


Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=15032&r1=15031&r2=15032&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Mon Dec  5 
16:52:52 2011
@@ -469,6 +469,31 @@
         pdb_file.close()
 
 
+    def _domain_moving(self):
+        """Return the domain ID of the moving domain.
+
+        @return:    The domain ID of the moving domain.
+        @rtype:     str
+        """
+
+        # Check that the domain is defined.
+        if not hasattr(cdp, 'domain'):
+            raise RelaxError("No domains have been defined.  Please use the 
domain user function.")
+
+        # Only support for 2 domains.
+        if len(cdp.domain.keys()) > 2:
+            raise RelaxError("Only two domains are supported in the frame 
order analysis.")
+
+        # Loop over the domains.
+        for id in cdp.domain.keys():
+            # Reference domain.
+            if id == cdp.ref_domain:
+                continue
+
+            # Return the ID.
+            return id
+
+
     def _domain_to_pdb(self, domain=None, pdb=None):
         """Match domains to PDB files.
 
@@ -597,9 +622,10 @@
             else:
                 frq.append(1e-10)
 
-            # Spin loop.
+            # Spin loop over the domain.
+            id = cdp.domain[self._domain_moving()]
             j = 0
-            for spin in spin_loop():
+            for spin in spin_loop(id):
                 # Skip deselected spins.
                 if not spin.select:
                     continue
@@ -746,8 +772,9 @@
             rdc_err.append([])
             rdc_weight.append([])
 
-            # Spin loop.
-            for spin in spin_loop():
+            # Spin loop over the domain.
+            id = cdp.domain[self._domain_moving()]
+            for spin in spin_loop(id):
                 # Skip deselected spins.
                 if not spin.select:
                     continue