r15028 - in /branches/frame_order_testing/generic_fns: __init__.py domain.py -- December 05, 2011 - 15:52

Author: bugman
Date: Mon Dec  5 15:52:45 2011
New Revision: 15028

URL: http://svn.gna.org/viewcvs/relax?rev=15028&view=rev
Log:
Created the domain user function back end.

This simply stores the data for later use.


Added:
    branches/frame_order_testing/generic_fns/domain.py
Modified:
    branches/frame_order_testing/generic_fns/__init__.py

Modified: branches/frame_order_testing/generic_fns/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/__init__.py?rev=15028&r1=15027&r2=15028&view=diff
==============================================================================
--- branches/frame_order_testing/generic_fns/__init__.py (original)
+++ branches/frame_order_testing/generic_fns/__init__.py Mon Dec  5 15:52:45 
2011
@@ -26,6 +26,7 @@
             'bmrb',
             'dasha',
             'diffusion_tensor',
+            'domain',
             'eliminate',
             'exp_info',
             'fix',

Added: branches/frame_order_testing/generic_fns/domain.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/domain.py?rev=15028&view=auto
==============================================================================
--- branches/frame_order_testing/generic_fns/domain.py (added)
+++ branches/frame_order_testing/generic_fns/domain.py Mon Dec  5 15:52:45 
2011
@@ -1,0 +1,41 @@
+###############################################################################
+#                                                                            
 #
+# Copyright (C) 2011 Edward d'Auvergne                                       
 #
+#                                                                            
 #
+# This file is part of the program relax.                                    
 #
+#                                                                            
 #
+# relax is free software; you can redistribute it and/or modify              
 #
+# it under the terms of the GNU General Public License as published by       
 #
+# the Free Software Foundation; either version 2 of the License, or          
 #
+# (at your option) any later version.                                        
 #
+#                                                                            
 #
+# relax is distributed in the hope that it will be useful,                   
 #
+# but WITHOUT ANY WARRANTY; without even the implied warranty of             
 #
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
 #
+# GNU General Public License for more details.                               
 #
+#                                                                            
 #
+# You should have received a copy of the GNU General Public License          
 #
+# along with relax; if not, write to the Free Software                       
 #
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
+#                                                                            
 #
+###############################################################################
+
+# Module docstring.
+"""Module containing the structural domain related functions."""
+
+
+def define(id=None, spin_id=None):
+    """Define the domain.
+
+    @keyword id:        The domain ID string.
+    @type id:           str
+    @keyword spin_id:   The spin ID string for all atoms of the domain.
+    @type spin_id:      str
+    """
+
+    # Initialise the data structure if needed.
+    if not hasattr(cdp, 'domain'):
+        cdp.domain = {}
+
+    # Store the domain info.
+    cdp.domain[id] = spin_id