r9824 - /branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py -- October 27, 2009 - 23:36

Author: bugman
Date: Tue Oct 27 23:36:49 2009
New Revision: 9824

URL: http://svn.gna.org/viewcvs/relax?rev=9824&view=rev
Log:
The DataFileName tag is being created for the CSA saveframe.

This doesn't seem to be read by the ADIT-NMR system.


Modified:
    branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py

Modified: branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py?rev=9824&r1=9823&r2=9824&view=diff
==============================================================================
--- branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py (original)
+++ branches/bmrb/bmrblib/NMR_parameters/chem_shift_anisotropy.py Tue Oct 27 
23:36:49 2009
@@ -53,9 +53,11 @@
         self.add_tag_categories()
 
 
-    def add(self, sample_cond_list_id=None, 
sample_cond_list_label='$conditions_1', frq=None, details=None, 
assembly_atom_ids=None, entity_assembly_ids=None, entity_ids=None, 
res_nums=None, seq_id=None, res_names=None, atom_names=None, atom_types=None, 
isotope=None, csa=None, csa_error=None, units='ppm'):
+    def add(self, data_file_name=None, sample_cond_list_id=None, 
sample_cond_list_label='$conditions_1', frq=None, details=None, 
assembly_atom_ids=None, entity_assembly_ids=None, entity_ids=None, 
res_nums=None, seq_id=None, res_names=None, atom_names=None, atom_types=None, 
isotope=None, csa=None, csa_error=None, units='ppm'):
         """Add relaxation data to the data nodes.
 
+        @keyword data_file_name:            The name of the data file 
submitted with the deposition containing this data (should probably be left 
to None).
+        @type data_file_name:               None or str
         @keyword sample_cond_list_id:       The sample conditions list ID 
number.
         @type sample_cond_list_id:          str
         @keyword sample_cond_list_label:    The sample conditions list label.
@@ -94,6 +96,7 @@
         N = len(res_nums)
 
         # Place the args into the namespace.
+        self.file_name = translate(data_file_name)
         self.frq = frq
         self.units = units
         self.res_nums = translate(res_nums)
@@ -212,6 +215,7 @@
             self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['ChemShiftAnisotropyID']], tagvalues=[['1']]))
 
         # Sample info.
+        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['DataFileName']], 
tagvalues=[[self.sf.file_name]]))
         self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['SampleConditionListLabel']], 
tagvalues=[['$conditions_1']]))
 
         # NMR info.
@@ -232,6 +236,7 @@
 
         # Tag names for the relaxation data.
         self.tag_names['SfCategory'] = 'Saveframe_category'
+        self.tag_names['DataFileName'] = 'Data_file_name'
         self.tag_names['SampleConditionListLabel'] = 
'Sample_conditions_label'
         self.tag_names['ValUnits'] = 'Val_units'