r5863 - /1.3/generic_fns/structure/scientific.py -- April 20, 2008 - 19:06

Author: bugman
Date: Sun Apr 20 19:06:15 2008
New Revision: 5863

URL: http://svn.gna.org/viewcvs/relax?rev=5863&view=rev
Log:
Fixes for the __molecule_loop() method.

The selection object is now used for comparisons.


Modified:
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=5863&r1=5862&r2=5863&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Sun Apr 20 19:06:15 2008
@@ -51,15 +51,14 @@
     id = 'scientific'
 
 
-    def __molecule_loop(self, struct, molecules):
-        """Generator function for looping over all molecules in the 
Scientific PDB data objects.
+    def __molecule_loop(self, struct, sel_obj=None):
+        """Generator function for looping over molecules in the Scientific 
PDB data objects.
 
         @param struct:      The individual structure object, the highest 
level Scientific Python PDB
                             object.
         @type struct:       Scientific Python PDB object
-        @param molecules:   A list of molecule names.  If non-empty, only 
molecules found in this
-                            list will be returned.
-        @type molecules:    list of str
+        @keyword sel_obj:   The selection object.
+        @type sel_obj:      instance of generic_fns.selection.Selection
         @return:            A tuple of the Scientific Python PDB object 
representing a single
                             molecule, the molecule name, and molecule type.
         @rtype:             (Scientific Python PDB object, str, str)
@@ -77,7 +76,7 @@
                     mol_name = None
 
                 # Skip non-matching molecules.
-                if molecules and not wildcard_match(mol_name, molecules):
+                if sel_obj and '#' + mol_name not in sel_obj:
                     continue
 
                 # Yield the molecule and its name.
@@ -95,7 +94,7 @@
                     mol_name = None
 
                 # Skip non-matching molecules.
-                if molecules and not wildcard_match(mol_name, molecules):
+                if sel_obj and '#' + mol_name not in sel_obj:
                     continue
 
                 # Yield the molecule and its name.