Author: bugman Date: Wed Jul 17 18:20:32 2013 New Revision: 20368 URL: http://svn.gna.org/viewcvs/relax?rev=20368&view=rev Log: Updated the dispersion auto-analysis write_results() method for the recent model changes. 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=20368&r1=20367&r2=20368&view=diff ============================================================================== --- branches/relax_disp/auto_analyses/relax_disp.py (original) +++ branches/relax_disp/auto_analyses/relax_disp.py Wed Jul 17 18:20:32 2013 @@ -36,7 +36,7 @@ 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.variables import CPMG_EXP, FIXED_TIME_EXP, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_M61, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_R2EFF, R1RHO_EXP +from specific_analyses.relax_disp.variables import CPMG_EXP, FIXED_TIME_EXP, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_M61, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_EXPANDED, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_R2EFF, R1RHO_EXP from status import Status; status = Status() @@ -296,12 +296,12 @@ 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 CPMG_EXP and model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL]: + #if cdp.exp_type in CPMG_EXP and model in [None, MODEL_LM63, MODEL_CR72, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_STAR, MODEL_NS_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 CPMG_EXP and model in [None, MODEL_CR72, MODEL_NS_2SITE_STAR]: + #if cdp.exp_type in CPMG_EXP and model in [None, MODEL_CR72_FULL, MODEL_NS_2SITE_3D_FULL, MODEL_NS_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) @@ -313,7 +313,7 @@ # self.interpreter.grace.write(x_data_type='res_num', y_data_type='r2', file='r1rho0.agr', dir=path, force=True) # The pA and pB parameters. - if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL]: + if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_NS_2SITE_EXPANDED]: self.interpreter.value.write(param='pA', file='pA.out', dir=path, force=True) self.interpreter.value.write(param='pB', file='pB.out', dir=path, force=True) self.interpreter.grace.write(x_data_type='res_num', y_data_type='pA', file='pA.agr', dir=path, force=True) @@ -330,12 +330,12 @@ self.interpreter.grace.write(x_data_type='res_num', y_data_type='padw2', file='padw2.agr', dir=path, force=True) # The dw parameter. - if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL]: + if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_NS_2SITE_EXPANDED]: self.interpreter.value.write(param='dw', file='dw.out', dir=path, force=True) self.interpreter.grace.write(x_data_type='res_num', y_data_type='dw', file='dw.agr', dir=path, force=True) # The kex and tex parameters. - if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL]: + if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_NS_2SITE_EXPANDED]: self.interpreter.value.write(param='kex', file='kex.out', dir=path, force=True) self.interpreter.value.write(param='tex', file='tex.out', dir=path, force=True) self.interpreter.grace.write(x_data_type='res_num', y_data_type='kex', file='kex.agr', dir=path, force=True)