r5354 - in /1.3/generic_fns/structure: main.py scientific.py -- April 07, 2008 - 14:26

Author: bugman
Date: Mon Apr  7 14:26:50 2008
New Revision: 5354

URL: http://svn.gna.org/viewcvs/relax?rev=5354&view=rev
Log:
The cdp.structure object is now set to the Scientific Python structural data 
object.

Some code has also been shifted into the load_structures() method.


Modified:
    1.3/generic_fns/structure/main.py
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=5354&r1=5353&r2=5354&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Mon Apr  7 14:26:50 2008
@@ -29,6 +29,7 @@
 from generic_fns import molmol
 from generic_fns.sequence import load_PDB_sequence
 from generic_fns.selection import exists_mol_res_spin_data, spin_loop
+from generic_fns.structure.scientific import Scientific_data
 from relax_errors import RelaxError, RelaxFileError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxPdbError
 from relax_io import get_file_path
 from relax_warnings import RelaxNoPDBFileWarning
@@ -105,11 +106,9 @@
     # Data creation.
     ################
 
-    # File name.
-    cdp.structure.file_name = file_path
-
-    # Model.
-    cdp.structure.model = model
+    # Place the Scientific Python structural object into the relax data 
store.
+    if parser == 'scientific':
+        cdp.structure = Scientific_data()
 
 
     # Load the structures.

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=5354&r1=5353&r2=5354&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Mon Apr  7 14:26:50 2008
@@ -60,6 +60,12 @@
         @keyword verbosity: A flag which if True will cause messages to be 
printed.
         @type verbosity:    bool
         """
+
+        # Store the file name (with full path).
+        self.file_name = file_path
+
+        # Store the model number.
+        self.model = model
 
         # Use pointers (references) if the PDB data exists in another run.
         for data_pipe in relax_data_store: