r6439 - /1.3/data/mol_res_spin.py -- June 22, 2008 - 19:40

Author: bugman
Date: Sun Jun 22 19:40:24 2008
New Revision: 6439

URL: http://svn.gna.org/viewcvs/relax?rev=6439&view=rev
Log:
All molecule, residue, and spin specific data is now placed in the XML 
results file.


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=6439&r1=6438&r2=6439&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Sun Jun 22 19:40:24 2008
@@ -182,6 +182,31 @@
         return False
 
 
+    def xml_create_element(self, doc, element):
+        """Create XML elements for each spin.
+
+        @param doc:     The XML document object.
+        @type doc:      xml.dom.minidom.Document instance
+        @param element: The element to add the spin XML elements to.
+        @type element:  XML element object
+        """
+
+        # Loop over the spins.
+        for i in xrange(len(self)):
+            # Create an XML element for this spin and add it to the higher 
level element.
+            spin_element = doc.createElement('spin')
+            element.appendChild(spin_element)
+
+            # Set the spin attributes.
+            spin_element.setAttribute('name', self[i].name)
+            spin_element.setAttribute('num', str(self[i].num))
+            spin_element.setAttribute('index', `i`)
+            spin_element.setAttribute('desc', 'Spin')
+
+            # Add all simple python objects within the SpinContainer to the 
XML element.
+            fill_object_contents(doc, spin_element, object=self[i], 
blacklist=['name', 'num', 'spin'] + self[i].__class__.__dict__.keys())
+
+
 
 # The residue data.
 ###################
@@ -341,6 +366,34 @@
         return False
 
 
+    def xml_create_element(self, doc, element):
+        """Create XML elements for each residue.
+
+        @param doc:     The XML document object.
+        @type doc:      xml.dom.minidom.Document instance
+        @param element: The element to add the residue XML elements to.
+        @type element:  XML element object
+        """
+
+        # Loop over the residues.
+        for i in xrange(len(self)):
+            # Create an XML element for this residue and add it to the 
higher level element.
+            res_element = doc.createElement('res')
+            element.appendChild(res_element)
+
+            # Set the residue attributes.
+            res_element.setAttribute('name', self[i].name)
+            res_element.setAttribute('num', str(self[i].num))
+            res_element.setAttribute('index', `i`)
+            res_element.setAttribute('desc', 'Residue')
+
+            # Add all simple python objects within the ResidueContainer to 
the XML element.
+            fill_object_contents(doc, res_element, object=self[i], 
blacklist=['name', 'num', 'spin'] + self[i].__class__.__dict__.keys())
+
+            # Add the residue data.
+            self[i].spin.xml_create_element(doc, res_element)
+
+
 
 # The molecule data.
 ###################
@@ -488,7 +541,7 @@
 
 
     def xml_create_element(self, doc, element):
-        """Create an XML elements for each molecule.
+        """Create XML elements for each molecule.
 
         @param doc:     The XML document object.
         @type doc:      xml.dom.minidom.Document instance
@@ -509,3 +562,6 @@
 
             # Add all simple python objects within the MoleculeContainer to 
the XML element.
             fill_object_contents(doc, mol_element, object=self[i], 
blacklist=['name', 'res'] + self[i].__class__.__dict__.keys())
+
+            # Add the residue data.
+            self[i].res.xml_create_element(doc, mol_element)