Author: bugman Date: Thu Sep 5 12:35:13 2013 New Revision: 20835 URL: http://svn.gna.org/viewcvs/relax?rev=20835&view=rev Log: The dispersion auto-analysis no longer references cdp.exp_type. This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/4530, the thread about supporting multiple data types such as SQ+MQ data simultaneously. Modified: branches/relax_disp/auto_analyses/relax_disp.py Modified: branches/relax_disp/auto_analyses/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/auto_analyses/relax_disp.py?rev=20835&r1=20834&r2=20835&view=diff ============================================================================== --- branches/relax_disp/auto_analyses/relax_disp.py (original) +++ branches/relax_disp/auto_analyses/relax_disp.py Thu Sep 5 12:35:13 2013 @@ -35,7 +35,7 @@ from pipe_control.mol_res_spin import return_spin, spin_loop from pipe_control.pipes import has_pipe from prompt.interpreter import Interpreter -from specific_analyses.relax_disp.disp_data import loop_frq +from specific_analyses.relax_disp.disp_data import has_exponential_exp_type, has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, loop_frq from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_CPMG, EXP_TYPE_LIST_FIXED_TIME, EXP_TYPE_LIST_R1RHO, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02 from status import Status; status = Status() @@ -312,7 +312,7 @@ self.interpreter.value.copy(pipe_from=MODEL_R2EFF, pipe_to=model, param='r2eff') # Calculate the R2eff values for the fixed relaxation time period data types. - if model == MODEL_R2EFF and cdp.exp_type in EXP_TYPE_LIST_FIXED_TIME: + if model == MODEL_R2EFF and has_exponential_exp_type(): self.interpreter.calc() # Optimise the model. @@ -354,7 +354,7 @@ """ # Exponential curves. - if model == 'R2eff' and cdp.exp_type not in EXP_TYPE_LIST_FIXED_TIME: + if model == 'R2eff' and has_exponential_exp_type(): self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', dir=path, force=True) # Average peak intensities. self.interpreter.relax_disp.plot_exp_curves(file='intensities_norm.agr', dir=path, force=True, norm=True) # Average peak intensities (normalised). @@ -367,24 +367,24 @@ self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2eff', file='r2eff.agr', dir=path, force=True) # The I0 parameter. - if model == 'R2eff' and cdp.exp_type not in EXP_TYPE_LIST_FIXED_TIME: + if model == 'R2eff' and has_exponential_exp_type(): self.interpreter.value.write(param='i0', file='i0.out', dir=path, force=True) self.interpreter.grace.write(x_data_type='res_num', y_data_type='i0', file='i0.agr', dir=path, force=True) ## The R20 parameter. - #if cdp.exp_type in EXP_TYPE_LIST_CPMG and model in [None, MODEL_LM63, MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_EXPANDED]: + #if has_cpmg_exp_type() and model in [None, MODEL_LM63, MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_EXPANDED]: # self.interpreter.value.write(param='r2', file='r20.out', dir=path, force=True) # self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2', file='r20.agr', dir=path, force=True) ## The R20A and R20B parameters. - #if cdp.exp_type in EXP_TYPE_LIST_CPMG and model in [None, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]: + #if has_cpmg_exp_type() and model in [None, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]: # self.interpreter.value.write(param='r2a', file='r20a.out', dir=path, force=True) # self.interpreter.value.write(param='r2b', file='r20b.out', dir=path, force=True) # self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2a', file='r20a.agr', dir=path, force=True) # self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2b', file='r20b.agr', dir=path, force=True) ## The R1rho parameter. - #if cdp.exp_type in EXP_TYPE_LIST_R1RHO and model in [None] + MODEL_LIST_R1RHO: + #if has_r1rho_exp_type() and model in [None] + MODEL_LIST_R1RHO: # self.interpreter.value.write(param='r2', file='r1rho0.out', dir=path, force=True) # self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2', file='r1rho0.agr', dir=path, force=True) @@ -432,7 +432,7 @@ self.interpreter.grace.write(x_data_type='res_num', y_data_type='kC', file='kC.agr', dir=path, force=True) # Minimisation statistics. - if not (model == 'R2eff' and cdp.exp_type in EXP_TYPE_LIST_FIXED_TIME): + if not (model == 'R2eff' and has_fixed_time_exp_type()): self.interpreter.grace.write(y_data_type='chi2', file='chi2.agr', dir=path, force=True) # Finally save the results. This is last to allow the continuation of an interrupted analysis while ensuring that all results files have been created.