r6429 - in /1.3/data: __init__.py align_tensor.py diff_tensor.py pipe_container.py -- June 22, 2008 - 19:05

Author: bugman
Date: Sun Jun 22 19:05:09 2008
New Revision: 6429

URL: http://svn.gna.org/viewcvs/relax?rev=6429&view=rev
Log:
Added the ability to create XML elements for alignment tensors.


Modified:
    1.3/data/__init__.py
    1.3/data/align_tensor.py
    1.3/data/diff_tensor.py
    1.3/data/pipe_container.py

Modified: 1.3/data/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/__init__.py?rev=6429&r1=6428&r2=6429&view=diff
==============================================================================
--- 1.3/data/__init__.py (original)
+++ 1.3/data/__init__.py Sun Jun 22 19:05:09 2008
@@ -210,6 +210,6 @@
         xml.dom.ext.PrettyPrint(xmldoc, file)
 
         # Print out.
-        print self
+        print self[self.current_pipe]
         print "\n\nXML:"
         xml.dom.ext.PrettyPrint(xmldoc)

Modified: 1.3/data/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/align_tensor.py?rev=6429&r1=6428&r2=6429&view=diff
==============================================================================
--- 1.3/data/align_tensor.py (original)
+++ 1.3/data/align_tensor.py Sun Jun 22 19:05:09 2008
@@ -29,6 +29,7 @@
 # relax module imports.
 from data_classes import Element
 from relax_errors import RelaxError
+from relax_xml import fill_object_contents
 
 
 
@@ -558,6 +559,33 @@
         self.append(AlignTensorData(name))
 
 
+    def xml_create_element(self, doc, element):
+        """Create an XML element for the alignment tensors.
+
+        @param doc:     The XML document object.
+        @type doc:      xml.dom.minidom.Document instance
+        @param element: The element to add the alignment tensors XML element 
to.
+        @type element:  XML element object
+        """
+
+        # Create the alignment tensors element and add it to the higher 
level element.
+        tensor_list_element = doc.createElement('align_tensors')
+        element.appendChild(tensor_list_element)
+
+        # Set the alignment tensor attributes.
+        tensor_list_element.setAttribute('desc', 'Alignment tensor list')
+
+        # Loop over the tensors.
+        for i in xrange(len(self)):
+            # Create an XML element for a single tensor.
+            tensor_element = doc.createElement('align_tensor')
+            tensor_list_element.appendChild(tensor_element)
+            tensor_list_element.setAttribute('index', `i`)
+            tensor_list_element.setAttribute('desc', 'Alignment tensor')
+
+            # Add all simple python objects within the PipeContainer to the 
pipe element.
+            fill_object_contents(doc, tensor_element, object=self[i], 
blacklist=self[i].__class__.__dict__.keys())
+
 
 class AlignTensorData(Element):
     """An empty data container for the alignment tensor elements."""

Modified: 1.3/data/diff_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/diff_tensor.py?rev=6429&r1=6428&r2=6429&view=diff
==============================================================================
--- 1.3/data/diff_tensor.py (original)
+++ 1.3/data/diff_tensor.py Sun Jun 22 19:05:09 2008
@@ -826,13 +826,13 @@
                     self.__dict__[target+'_sim'] = DiffTensorSimList(target, 
self)
 
 
-    def xml_create_diff_element(self, doc, element):
+    def xml_create_element(self, doc, element):
         """Create an XML element for the diffusion tensor.
 
         @param doc:     The XML document object.
         @type doc:      xml.dom.minidom.Document instance
-        @param element:    The element to add the diffusion tensor element 
to.
-        @type element:     XML element object
+        @param element: The element to add the diffusion tensor element to.
+        @type element:  XML element object
         """
 
         # Create the diffusion tensor element and add it to the higher level 
element.

Modified: 1.3/data/pipe_container.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/pipe_container.py?rev=6429&r1=6428&r2=6429&view=diff
==============================================================================
--- 1.3/data/pipe_container.py (original)
+++ 1.3/data/pipe_container.py Sun Jun 22 19:05:09 2008
@@ -169,7 +169,7 @@
         global_element = doc.createElement('global')
         element.appendChild(global_element)
         global_element.setAttribute('desc', 'Global data located in the top 
level of the data pipe')
-        fill_object_contents(doc, global_element, object=self, 
blacklist=['diff_tensor', 'hybrid_pipes', 'mol', 'pipe_type', 'structure'] + 
self.__class__.__dict__.keys())
+        fill_object_contents(doc, global_element, object=self, 
blacklist=['align_tensors', 'diff_tensor', 'hybrid_pipes', 'mol', 
'pipe_type', 'structure'] + self.__class__.__dict__.keys())
 
         # Hybrid info.
         self.xml_create_hybrid_element(doc, element)
@@ -177,6 +177,10 @@
         # Add the diffusion tensor data.
         if hasattr(self, 'diff_tensor'):
             self.diff_tensor.xml_create_diff_element(doc, element)
+
+        # Add the alignment tensor data.
+        if hasattr(self, 'align_tensors'):
+            self.align_tensors.xml_create_element(doc, element)
 
         # Add the structural data, if it exists.
         if hasattr(self, 'structure'):