r27745 - in /trunk: pipe_control/pcs.py user_functions/pcs.py -- March 03, 2015 - 14:46

Author: bugman
Date: Tue Mar  3 14:46:20 2015
New Revision: 27745

URL: http://svn.gna.org/viewcvs/relax?rev=27745&view=rev
Log:
Implemented the back_calc argument for the pcs.copy user function.

This allows the back-calculated PCSs to be additionally copied together with 
the real value and
error.  The implementation simply copies that of the rdc.copy user function.


Modified:
    trunk/pipe_control/pcs.py
    trunk/user_functions/pcs.py

Modified: trunk/pipe_control/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/pcs.py?rev=27745&r1=27744&r2=27745&view=diff
==============================================================================
--- trunk/pipe_control/pcs.py   (original)
+++ trunk/pipe_control/pcs.py   Tue Mar  3 14:46:20 2015
@@ -273,15 +273,17 @@
         raise RelaxError("The paramagnetic centre has not been defined.")
 
 
-def copy(pipe_from=None, pipe_to=None, align_id=None):
+def copy(pipe_from=None, pipe_to=None, align_id=None, back_calc=True):
     """Copy the PCS data from one data pipe to another.
 
     @keyword pipe_from: The data pipe to copy the PCS data from.  This 
defaults to the current data pipe.
     @type pipe_from:    str
     @keyword pipe_to:   The data pipe to copy the PCS data to.  This 
defaults to the current data pipe.
     @type pipe_to:      str
-    @param align_id:    The alignment ID string.
+    @keyword align_id:  The alignment ID string.
     @type align_id:     str
+    @keyword back_calc: A flag which if True will cause any back-calculated 
RDCs present to also be copied with the real values and errors.
+    @type back_calc:    bool
     """
 
     # Defaults.
@@ -336,12 +338,16 @@
             # Initialise the spin data if necessary.
             if hasattr(spin_from, 'pcs') and not hasattr(spin_to, 'pcs'):
                 spin_to.pcs = {}
+            if back_calc and hasattr(spin_from, 'pcs_bc') and not 
hasattr(spin_to, 'pcs_bc'):
+                spin_to.pcs_bc = {}
             if hasattr(spin_from, 'pcs_err') and not hasattr(spin_to, 
'pcs_err'):
                 spin_to.pcs_err = {}
 
             # Copy the value and error from pipe_from.
             if hasattr(spin_from, 'pcs'):
                 spin_to.pcs[align_id] = spin_from.pcs[align_id]
+            if back_calc and hasattr(spin_from, 'pcs_bc'):
+                spin_to.pcs_bc[align_id] = spin_from.pcs_bc[align_id]
             if hasattr(spin_from, 'pcs_err'):
                 spin_to.pcs_err[align_id] = spin_from.pcs_err[align_id]
 

Modified: trunk/user_functions/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/pcs.py?rev=27745&r1=27744&r2=27745&view=diff
==============================================================================
--- trunk/user_functions/pcs.py (original)
+++ trunk/user_functions/pcs.py Tue Mar  3 14:46:20 2015
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2014 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2015 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -136,6 +136,13 @@
     wiz_combo_iter = align_tensor.get_align_ids,
     wiz_read_only = True,
     can_be_none = True
+)
+uf.add_keyarg(
+    name = "back_calc",
+    default = True,
+    py_type = "bool",
+    desc_short = "back-calculated data flag",
+    desc = "A flag which if True will cause any back-calculated PCSs present 
to also be copied with the real values and errors."
 )
 # Description.
 uf.desc.append(Desc_container())