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.