r3886 - /1.3/generic_fns/selection.py -- November 24, 2007 - 20:41

Author: bugman
Date: Sat Nov 24 20:41:29 2007
New Revision: 3886

URL: http://svn.gna.org/viewcvs/relax?rev=3886&view=rev
Log:
Wrote the exists_mol_res_spin_data() function.

This function determines if any molecule-residue-spin data exists.


Modified:
    1.3/generic_fns/selection.py

Modified: 1.3/generic_fns/selection.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/selection.py?rev=3886&r1=3885&r2=3886&view=diff
==============================================================================
--- 1.3/generic_fns/selection.py (original)
+++ 1.3/generic_fns/selection.py Sat Nov 24 20:41:29 2007
@@ -180,6 +180,10 @@
     @return type:       int
     """
 
+    # No data, hence no spins.
+    if not exists_mol_res_spin_data(selection):
+        return 0
+
     # Init.
     spin_num = 0
 
@@ -339,6 +343,45 @@
     # No residue matched.
     if no_match:
         print "No residues match."
+
+
+def exists_mol_res_spin_data(selection=None):
+    """Function for determining if any molecule-residue-spin data exists.
+
+    @param selection:   The selection string.
+    @type selection:    str
+    @return:    The answer to the question about the existence of data.
+    @rtype:     bool
+    """
+
+    # Alias the data pipe container.
+    cdp = relax_data_store[relax_data_store.current_pipe]
+
+    # Count the number of spin containers.
+    spin_num = 0
+    for spin in spin_loop(selection):
+        spin_num = spin_num + 1
+
+    # 2 or more spins (hence data exists).
+    if spin_num > 1:
+        return True
+
+    # Test the name and number of the single spin.
+    if spin.num == None and spin.name == None:
+        # The object names in an empty container.
+        white_list = ['name', 'num'] 
+
+        # Loop over the objects in the spin container.
+        for name in dir(spin):
+            # White listed objects.
+            if name in white_list:
+                continue
+
+            # Found an object not in the white list (hence the spin 
container has been modified).
+            return True
+
+    # No data.
+    return False
 
 
 def molecule_loop(selection=None, pipe=None):