r19217 - /branches/relax_disp/specific_analyses/relax_disp.py -- March 27, 2013 - 14:32

Author: bugman
Date: Wed Mar 27 14:32:54 2013
New Revision: 19217

URL: http://svn.gna.org/viewcvs/relax?rev=19217&view=rev
Log:
Ported r8415 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8414:8415 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/specific_fns/@r18123
 specific_analyses

.....
  r8415 | semor | 2009-01-12 14:27:11 +0100 (Mon, 12 Jan 2009) | 7 lines
  Changed paths:
     M /branches/relax_disp/specific_fns/relax_disp.py
  
  Added tests, print statements and other code to the relaxation dispersion 
specific functions.
  
  Tests were proosed by Ed in a post at:
  https://mail.gna.org/public/relax-devel/2009-01/msg00065.html
  (Message-id: <7f080ed10901120107t4f1cd53ew51f498a45a38eade@xxxxxxxxxxxxxx>)
.....


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19217&r1=19216&r2=19217&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Mar 27 14:32:54 
2013
@@ -245,6 +245,9 @@
         @type delayT:      float
         """
 
+        # Test if the current data pipe exists.
+        pipes.test
+
         # Alias the current data pipe.
         cdp = pipes.get_pipe()
 
@@ -252,12 +255,26 @@
         if not hasattr(cdp, 'delayT'):
             cdp.delayT = {}
 
+        # Test if the pipe type is set to 'relax_disp'.
+        function_type = cdp.pipe_type
+        if function_type != 'relax_disp':
+            raise RelaxFuncSetupError, 
specific_setup.get_string(function_type)
+
+        # Test if sequence data is loaded.
+        if not exists_mol_res_spin_data():
+            raise RelaxNoSequenceError
+
+        # Make sure the experiment type is set to 'cpmg'.
+        if not cdp.exp_type == 'cpmg':
+            raise RelaxError, "To use the function cpmg_delay(), the 
experiment type must be set to 'cpmg'."
+
         # Test the CPMG constant time delay (T) has not already been set.
         if cdp.delayT.has_key(id):
            raise RelaxError, "The CPMG constant time delay (T) for the 
experiment " + `id` + " has already been set."
 
         # Set the CPMG constant time delay (T).
         cdp.delayT[id] = delayT
+        print "The CPMG delay T for experiment " + `id` + " has been set to 
" + `cdp.delayT[id]`  + " s."
 
 
     def create_mc_data(self, spin_id):
@@ -540,11 +557,12 @@
         # CPMG relaxation dispersion experiments.
         if exp == 'cpmg':
             print "CPMG relaxation dispersion experiments."
+            cdp.exp_type = 'cpmg'
 
         # R1rho relaxation dispersion experiments.
         elif exp == 'r1rho':
-            #print "R1rho relaxation dispersion experiments."
-            raise RelaxError, "R1rho relaxation dispersion experiments have 
not been implemented yet."
+            print "R1rho relaxation dispersion experiments."
+            cdp.exp_type = 'r1rho'
 
         # Invalid relaxation dispersion experiment.
         else:
@@ -1156,6 +1174,10 @@
         if not exists_mol_res_spin_data():
             raise RelaxNoSequenceError
 
+        # Test if the experiment type is set.
+        if not hasattr(cdp, 'exp_type'):
+            raise RelaxError, "The relaxation dispersion experiment type has 
not been set."
+
         # Fast-exchange regime.
         if model == 'fast':
             print "Fast-exchange regime."