r21365 - /branches/relax_disp/specific_analyses/relax_disp/disp_data.py -- October 31, 2013 - 15:46

Author: bugman
Date: Thu Oct 31 15:46:20 2013
New Revision: 21365

URL: http://svn.gna.org/viewcvs/relax?rev=21365&view=rev
Log:
Better MMQ data support for the dispersion specific loop_cluster() function.

For the models using proton-heteronuclear multi-multiple quantum data, proton 
spin containers are
now skipped as all the data will be analysed from the perspective of the 
heteronucleus.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/disp_data.py

Modified: branches/relax_disp/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/disp_data.py?rev=21365&r1=21364&r2=21365&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/disp_data.py Thu Oct 31 
15:46:20 2013
@@ -52,7 +52,7 @@
 from pipe_control.spectrum import add_spectrum_id, get_ids
 from pipe_control.spectrometer import check_frequency, get_frequency, 
set_frequency
 from specific_analyses.relax_disp.checks import check_exp_type, 
check_mixed_curve_types
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG, 
EXP_TYPE_DESC_CPMG, EXP_TYPE_DESC_DQ_CPMG, EXP_TYPE_DESC_R1RHO, 
EXP_TYPE_DESC_MQ_CPMG, EXP_TYPE_DESC_MQ_R1RHO, EXP_TYPE_DESC_ZQ_CPMG, 
EXP_TYPE_DQ_CPMG, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO, 
EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO, EXP_TYPE_ZQ_CPMG
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG, 
EXP_TYPE_DESC_CPMG, EXP_TYPE_DESC_DQ_CPMG, EXP_TYPE_DESC_R1RHO, 
EXP_TYPE_DESC_MQ_CPMG, EXP_TYPE_DESC_MQ_R1RHO, EXP_TYPE_DESC_ZQ_CPMG, 
EXP_TYPE_DQ_CPMG, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_R1RHO, 
EXP_TYPE_MQ_CPMG, EXP_TYPE_MQ_R1RHO, EXP_TYPE_R1RHO, EXP_TYPE_ZQ_CPMG, 
MODEL_MMQ_2SITE
 from stat import S_IRWXU, S_IRGRP, S_IROTH
 from os import chmod, sep
 
@@ -492,6 +492,10 @@
     # No clustering, so loop over the sequence.
     if not hasattr(cdp, 'clustering'):
         for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
+            # Skip protons for MMQ data.
+            if spin.model in [MODEL_MMQ_2SITE] and spin.isotope == '1H':
+                continue
+
             # Return the spin ID as a list.
             yield [spin_id]
 
@@ -511,6 +515,10 @@
                 if not spin.select:
                     continue
 
+                # Skip protons for MMQ data.
+                if spin.model in [MODEL_MMQ_2SITE] and spin.isotope == '1H':
+                    continue
+
                 # Add the spin ID.
                 spin_id_list.append(spin_id)
 
@@ -522,6 +530,10 @@
             # Skip deselected spins.
             spin = return_spin(spin_id)
             if not spin.select:
+                continue
+
+            # Skip protons for MMQ data.
+            if spin.model in [MODEL_MMQ_2SITE] and spin.isotope == '1H':
                 continue
 
             # Yield each spin individually.