Author: bugman
Date: Wed Mar 2 13:47:13 2011
New Revision: 12706
URL: http://svn.gna.org/viewcvs/relax?rev=12706&view=rev
Log:
Added backwards compatibility for the old relaxation data structures in the
spin container.
The methods _back_compat_hook() and _back_compat_hook_ri_data() have been
added to allow the base
data structures of the spin container to be updated to the new structures.
The version information
is now being passed from the data pipe from_xml() method.
Modified:
branches/relax_data/data/mol_res_spin.py
branches/relax_data/data/pipe_container.py
Modified: branches/relax_data/data/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/data/mol_res_spin.py?rev=12706&r1=12705&r2=12706&view=diff
==============================================================================
--- branches/relax_data/data/mol_res_spin.py (original)
+++ branches/relax_data/data/mol_res_spin.py Wed Mar 2 13:47:13 2011
@@ -79,6 +79,61 @@
return text
+ def _back_compat_hook(self, file_version=None):
+ """Method for converting old spin data structures to the new ones.
+
+ @keyword file_version: The relax version used to create the XML
file.
+ @type file_version: str
+ """
+
+ # Relaxation data.
+ self._back_compat_hook_ri_data()
+
+
+ def _back_compat_hook_ri_data(self):
+ """Converting the old spin relaxation data structures to the new
ones."""
+
+ # Nothing to do.
+ if not (hasattr(cdp, 'frq_labels') and hasattr(cdp, 'noe_r1_table')
and hasattr(cdp, 'remap_table')):
+ return
+
+ # Initialise the new structures.
+ self.ri_data = {}
+ self.ri_data_err = {}
+
+ # Generate the new structures.
+ for i in range(cdp.num_ri):
+ # The ID.
+ ri_id = "%s_%s" % (cdp.ri_labels[i],
cdp.frq_labels[cdp.remap_table[i]])
+
+ # Not unique.
+ if ri_id in cdp.ri_ids:
+ # Loop until a unique ID is found.
+ for i in range(100):
+ # New id.
+ new_id = "%s_%s" % (ri_id, i)
+
+ # Unique.
+ if not new_id in cdp.ri_ids:
+ ri_id = new_id
+ break
+
+ # The relaxation data.
+ self.ri_data[ri_id] = self.relax_data[i]
+ self.ri_data_err[ri_id] = self.relax_error[i]
+
+ # Delete the old structures.
+ del cdp.frq
+ del cdp.frq_labels
+ del cdp.noe_r1_table
+ del cdp.num_frq
+ del cdp.num_ri
+ del cdp.ri_labels
+ del cdp.remap_table
+ del cdp.relax_data
+ del cdp.relax_error
+
+
def is_empty(self):
"""Method for testing if this SpinContainer object is empty.
@@ -184,11 +239,13 @@
return False
- def from_xml(self, spin_nodes):
+ def from_xml(self, spin_nodes, file_version=None):
"""Recreate a spin list data structure from the XML spin nodes.
- @param spin_nodes: The spin XML nodes.
- @type spin_nodes: xml.dom.minicompat.NodeList instance
+ @param spin_nodes: The spin XML nodes.
+ @type spin_nodes: xml.dom.minicompat.NodeList instance
+ @keyword file_version: The relax version used to create the XML
file.
+ @type file_version: str
"""
# Test if empty.
@@ -206,6 +263,9 @@
# Recreate the current spin container.
xml_to_object(spin_node, self[-1])
+
+ # Backwards compatibility transformations.
+ self[-1]._back_compat_hook(file_version)
def to_xml(self, doc, element):
@@ -439,11 +499,13 @@
return False
- def from_xml(self, res_nodes):
+ def from_xml(self, res_nodes, file_version=None):
"""Recreate a residue list data structure from the XML residue nodes.
- @param res_nodes: The residue XML nodes.
- @type res_nodes: xml.dom.minicompat.NodeList instance
+ @param res_nodes: The residue XML nodes.
+ @type res_nodes: xml.dom.minicompat.NodeList instance
+ @keyword file_version: The relax version used to create the XML
file.
+ @type file_version: str
"""
# Test if empty.
@@ -463,7 +525,7 @@
spin_nodes = res_node.getElementsByTagName('spin')
# Recreate the spin data structures for the current residue.
- self[-1].spin.from_xml(spin_nodes)
+ self[-1].spin.from_xml(spin_nodes, file_version=file_version)
def to_xml(self, doc, element):
@@ -643,11 +705,13 @@
return False
- def from_xml(self, mol_nodes):
+ def from_xml(self, mol_nodes, file_version=None):
"""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
+ @param mol_nodes: The molecule XML nodes.
+ @type mol_nodes: xml.dom.minicompat.NodeList instance
+ @keyword file_version: The relax version used to create the XML
file.
+ @type file_version: str
"""
# Test if empty.
@@ -669,7 +733,7 @@
res_nodes = mol_node.getElementsByTagName('res')
# Recreate the residue data structures for the current molecule.
- self[-1].res.from_xml(res_nodes)
+ self[-1].res.from_xml(res_nodes, file_version=file_version)
def to_xml(self, doc, element):
Modified: branches/relax_data/data/pipe_container.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/data/pipe_container.py?rev=12706&r1=12705&r2=12706&view=diff
==============================================================================
--- branches/relax_data/data/pipe_container.py (original)
+++ branches/relax_data/data/pipe_container.py Wed Mar 2 13:47:13 2011
@@ -218,7 +218,7 @@
# Recreate the molecule, residue, and spin data structure.
mol_nodes = pipe_node.getElementsByTagName('mol')
- self.mol.from_xml(mol_nodes)
+ self.mol.from_xml(mol_nodes, file_version=file_version)
# Get the structural object nodes and, if they exist, fill the
contents.
str_nodes = pipe_node.getElementsByTagName('structure')
r12706 - in /branches/relax_data/data: mol_res_spin.py pipe_container.py