mailr6533 - /1.3/data/mol_res_spin.py


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Posted by edward on June 28, 2008 - 22:43:
Author: bugman
Date: Sat Jun 28 22:35:10 2008
New Revision: 6533

URL: http://svn.gna.org/viewcvs/relax?rev=6533&view=rev
Log:
Created the MoleculeList.from_xml() method.


Modified:
    1.3/data/mol_res_spin.py

Modified: 1.3/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/mol_res_spin.py?rev=6533&r1=6532&r2=6533&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Sat Jun 28 22:35:10 2008
@@ -30,7 +30,7 @@
 # relax module imports.
 import data
 from prototype import Prototype
-from relax_errors import RelaxError
+from relax_errors import RelaxError, RelaxFromXMLNotEmptyError
 from relax_xml import fill_object_contents
 import specific_fns
 
@@ -578,6 +578,30 @@
         return False
 
 
+    def from_xml(self, mol_nodes):
+        """Recreate a molecule list data structure from the XML molecule 
nodes.
+
+        @param mol_nodes:   The molecule XML nodes.
+        @type mol_nodes:    xml.dom.minicompat.NodeList instance
+        """
+
+        # Test if empty.
+        if not self.is_empty():
+            raise RelaxFromXMLNotEmptyError, self.__class__.__name__
+
+        # Loop over the molecules.
+        for mol_node in mol_nodes:
+            # Get the molecule details and add the molecule to the 
MoleculeList structure.
+            name = mol_node.getAttribute('name')
+            self.add_item(mol_name=name)
+
+            # Get the residue nodes.
+            res_nodes = mol_node.getElementsByTagName('res')
+
+            # Recreate the residue data structures for the current molecule.
+            self[-1].res.from_xml(res_nodes)
+
+
     def xml_create_element(self, doc, element):
         """Create XML elements for each molecule.
 




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