r8875 - in /branches/bmrb: bmrblib/nmr_star_dict.py bmrblib/nmr_star_dict_v3_1.py generic_fns/mol_res_spin.py -- February 26, 2009 - 14:57

Author: bugman
Date: Thu Feb 26 14:57:28 2009
New Revision: 8875

URL: http://svn.gna.org/viewcvs/relax?rev=8875&view=rev
Log:
The entity saveframe is now enabled in the NMR_STAR object.


Modified:
    branches/bmrb/bmrblib/nmr_star_dict.py
    branches/bmrb/bmrblib/nmr_star_dict_v3_1.py
    branches/bmrb/generic_fns/mol_res_spin.py

Modified: branches/bmrb/bmrblib/nmr_star_dict.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/nmr_star_dict.py?rev=8875&r1=8874&r2=8875&view=diff
==============================================================================
--- branches/bmrb/bmrblib/nmr_star_dict.py (original)
+++ branches/bmrb/bmrblib/nmr_star_dict.py Thu Feb 26 14:57:28 2009
@@ -28,6 +28,7 @@
 """
 
 # relax module imports.
+from bmrblib.assembly_supercategory.entity import EntitySaveframe
 from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe
 from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe
 from bmrblib.kinetics.heteronucl_T2_relaxation import HeteronuclT2Saveframe
@@ -56,7 +57,10 @@
     def create_saveframes(self):
         """Create all the saveframe objects."""
 
-        # Initialise the objects of this class.
+        # Initialise the assembly_supercategory saveframe supergroup.
+        self.entity = EntitySaveframe(self.data.datanodes)
+
+        # Initialise the kinetic saveframe supergroup.
         self.heteronucl_NOEs = HeteronuclNOESaveframe(self.data.datanodes)
         self.heteronucl_T1_relaxation = 
HeteronuclT1Saveframe(self.data.datanodes)
         self.heteronucl_T2_relaxation = 
HeteronuclT2Saveframe(self.data.datanodes)

Modified: branches/bmrb/bmrblib/nmr_star_dict_v3_1.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/nmr_star_dict_v3_1.py?rev=8875&r1=8874&r2=8875&view=diff
==============================================================================
--- branches/bmrb/bmrblib/nmr_star_dict_v3_1.py (original)
+++ branches/bmrb/bmrblib/nmr_star_dict_v3_1.py Thu Feb 26 14:57:28 2009
@@ -28,6 +28,7 @@
 """
 
 # relax module imports.
+from bmrblib.assembly_supercategory.entity_v3_1 import EntitySaveframe_v3_1
 from bmrblib.kinetics.heteronucl_NOEs_v3_1 import HeteronuclNOESaveframe_v3_1
 from bmrblib.kinetics.heteronucl_T1_relaxation_v3_1 import 
HeteronuclT1Saveframe_v3_1
 from bmrblib.kinetics.heteronucl_T2_relaxation_v3_1 import 
HeteronuclT2Saveframe_v3_1
@@ -40,7 +41,10 @@
     def create_saveframes(self):
         """Create all the saveframe objects."""
 
-        # Initialise the objects of this class.
+        # Initialise the assembly_supercategory saveframe supergroup.
+        self.entity = EntitySaveframe_v3_1(self.data.datanodes)
+
+        # Initialise the kinetic saveframe supergroup.
         self.heteronucl_NOEs = 
HeteronuclNOESaveframe_v3_1(self.data.datanodes)
         self.heteronucl_T1_relaxation = 
HeteronuclT1Saveframe_v3_1(self.data.datanodes)
         self.heteronucl_T2_relaxation = 
HeteronuclT2Saveframe_v3_1(self.data.datanodes)

Modified: branches/bmrb/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/mol_res_spin.py?rev=8875&r1=8874&r2=8875&view=diff
==============================================================================
--- branches/bmrb/generic_fns/mol_res_spin.py (original)
+++ branches/bmrb/generic_fns/mol_res_spin.py Thu Feb 26 14:57:28 2009
@@ -500,6 +500,9 @@
     # Can't handle multiple molecules yet.
     if count_molecules() > 1:
         raise RelaxError, "Support for multiple molecules is not yet 
supported."
+
+    # Add the entity.
+    star.entity.add()
 
 
 def copy_molecule(pipe_from=None, mol_from=None, pipe_to=None, mol_to=None):