Author: tlinnet Date: Tue Aug 5 13:52:39 2014 New Revision: 24958 URL: http://svn.gna.org/viewcvs/relax?rev=24958&view=rev Log: Moved the auto_analyses plot of special R1rho graphs into the check of has_r1rho_exp_type(). sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. Modified: branches/R1_fitting/auto_analyses/relax_disp.py Modified: branches/R1_fitting/auto_analyses/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24958&r1=24957&r2=24958&view=diff ============================================================================== --- branches/R1_fitting/auto_analyses/relax_disp.py (original) +++ branches/R1_fitting/auto_analyses/relax_disp.py Tue Aug 5 13:52:39 2014 @@ -38,7 +38,7 @@ from prompt.interpreter import Interpreter from specific_analyses.relax_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.data import INTERPOLATE_DISP, INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, Y_AXIS_R2_EFF -from specific_analyses.relax_disp.variables import MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, 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_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20 +from specific_analyses.relax_disp.variables import MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, 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_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20 from status import Status; status = Status() @@ -584,12 +584,6 @@ self.interpreter.relax_disp.plot_disp_curves(dir=path, force=True) self.interpreter.relax_disp.write_disp_curves(dir=path, force=True) - # Plot specific R1rho graphs. - if has_r1rho_exp_type() and model in [None] + MODEL_LIST_R1RHO_FULL: - self.interpreter.relax_disp.plot_disp_curves(dir=path, x_axis=X_AXIS_THETA, force=True) - self.interpreter.relax_disp.plot_disp_curves(dir=path, y_axis=Y_AXIS_R2_R1RHO, x_axis=X_AXIS_W_EFF, force=True) - self.interpreter.relax_disp.plot_disp_curves(dir=path, y_axis=Y_AXIS_R2_EFF, x_axis=X_AXIS_THETA, interpolate=INTERPOLATE_OFFSET, force=True) - # The selected models for the final run. if model == None: self.interpreter.value.write(param='model', file='model.out', dir=path, force=True) @@ -625,8 +619,14 @@ # The R1rho prime parameter. self.write_results_test(path=path, model=model, models_tested=models_tested, param='r2', file_name_ini='r1rho_prime') + # Plot specific R1rho graphs. + if model in [None] + MODEL_LIST_R1RHO_W_R1 + MODEL_LIST_R1RHO_FIT_R1: + self.interpreter.relax_disp.plot_disp_curves(dir=path, x_axis=X_AXIS_THETA, force=True) + self.interpreter.relax_disp.plot_disp_curves(dir=path, y_axis=Y_AXIS_R2_R1RHO, x_axis=X_AXIS_W_EFF, force=True) + self.interpreter.relax_disp.plot_disp_curves(dir=path, y_axis=Y_AXIS_R2_EFF, x_axis=X_AXIS_THETA, interpolate=INTERPOLATE_OFFSET, force=True) + # The calculation of theta and w_eff parameter in R1rho experiments. - if model in MODEL_LIST_R1RHO and has_r1rho_exp_type(): + if model in MODEL_LIST_R1RHO_FULL: self.interpreter.value.write(param='theta', file='theta.out', dir=path, force=True) self.interpreter.value.write(param='w_eff', file='w_eff.out', dir=path, force=True)