r25945 - /trunk/lib/structure/internal/object.py -- September 22, 2014 - 10:29

Author: bugman
Date: Mon Sep 22 10:29:55 2014
New Revision: 25945

URL: http://svn.gna.org/viewcvs/relax?rev=25945&view=rev
Log:
Implemented the internal structural object collapse_ensemble() method.

This allows the Structure.test_collapse_ensemble system test to pass.


Modified:
    trunk/lib/structure/internal/object.py

Modified: trunk/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=25945&r1=25944&r2=25945&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py      (original)
+++ trunk/lib/structure/internal/object.py      Mon Sep 22 10:29:55 2014
@@ -1485,6 +1485,29 @@
         return data
 
 
+    def collapse_ensemble(self, model_num=None, model_to=1):
+        """Collapse the ensemble into a single model.
+
+        @keyword model_num: The number of the model to keep.  All other 
models will be removed.
+        @type model_num:    int
+        @keyword model_to:  The model number for the sole remaining model.
+        @type model_to:     int
+        """
+
+        # Store all the model numbers.
+        models = []
+        for model_cont in self.model_loop():
+            if model_cont.num != model_num:
+                models.append(model_cont.num)
+
+        # Delete all models.
+        for model in models:
+            self.delete(model)
+
+        # Renumber the remaining model.
+        self.set_model(model_orig=model_num, model_new=model_to)
+
+
     def connect_atom(self, mol_name=None, index1=None, index2=None):
         """Connect two atoms in the structural data object.