Author: tlinnet Date: Wed Jul 30 18:07:40 2014 New Revision: 24847 URL: http://svn.gna.org/viewcvs/relax?rev=24847&view=rev Log: Modified front-end user-function to relax_disp.plot_disp_curves() to parse new arguments to back-end function. sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff. sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1]. Modified: branches/r1rho_plotting/user_functions/relax_disp.py Modified: branches/r1rho_plotting/user_functions/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/user_functions/relax_disp.py?rev=24847&r1=24846&r2=24847&view=diff ============================================================================== --- branches/r1rho_plotting/user_functions/relax_disp.py (original) +++ branches/r1rho_plotting/user_functions/relax_disp.py Wed Jul 30 18:07:40 2014 @@ -33,13 +33,14 @@ FD_SAVE = -1 # relax module imports. -from lib.text.gui import dw, dw_AB, dw_BC, dwH, dwH_AB, dwH_BC, i0, kex, kAB, kBC, kAC, phi_ex, phi_exB, phi_exC, r1rho, r1rho_prime, r2, r2a, r2b, r2eff, tex +from lib.text.gui import dw, dw_AB, dw_BC, dwH, dwH_AB, dwH_BC, i0, kex, kAB, kBC, kAC, phi_ex, phi_exB, phi_exC, nu_1, nu_cpmg, r1rho, r1rho_prime, r2, r2a, r2b, r2eff, tex, theta, w_eff, w_rf from graphics import ANALYSIS_IMAGE_PATH, WIZARD_IMAGE_PATH from pipe_control import pipes, spectrum from pipe_control.mol_res_spin import get_spin_ids from specific_analyses.relax_disp.catia import catia_execute, catia_input from specific_analyses.relax_disp.cpmgfit import cpmgfit_execute, cpmgfit_input from specific_analyses.relax_disp.data import cpmg_setup, insignificance, plot_disp_curves, plot_exp_curves, r2eff_read, r2eff_read_spin, relax_time, set_exp_type, r20_from_min_r2eff, spin_lock_field, spin_lock_offset, write_disp_curves +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.nessy import nessy_input from specific_analyses.relax_disp.parameters import copy from specific_analyses.relax_disp.sherekhan import sherekhan_input @@ -472,6 +473,35 @@ can_be_none = True ) uf.add_keyarg( + name = "y_axis", + default = Y_AXIS_R2_EFF, + py_type = "str", + desc_short = "Select which data on Y axis to plot for", + desc = "Option can be either '%s' which plot 'r2eff' for CPMG experiments or 'r1rho' for R1rho experiments or option can be '%s', which for R1rho experiments plot R2."%(Y_AXIS_R2_EFF, Y_AXIS_R2_R1RHO), + wiz_element_type = 'combo', + wiz_combo_choices = [ + "%s/%s for CPMG/%s experiments"%(r2eff, r1rho, r1rho), + "%s for %s experiments"%(r2, r1rho) + ], + wiz_combo_data = [Y_AXIS_R2_EFF, Y_AXIS_R2_R1RHO], + wiz_read_only = True +) +uf.add_keyarg( + name = "x_axis", + default = X_AXIS_DISP, + py_type = "str", + desc_short = "Select which data on X axis to plot for", + desc = "Option can be either '%s' which plot 'CPMG frequency (Hz)' for CPMG experiments or 'Spin-lock field strength (Hz)' for R1rho experiments or option can be either '%s' or '%s' for R1rho experiments, which plot 'Effective field in rotating frame (rad/s)' or 'Rotating frame tilt angle theta (rad)'"%(X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA), + wiz_element_type = 'combo', + wiz_combo_choices = [ + "CPMG %s (Hz)/Spin-lock %s (Hz)"%(nu_cpmg, nu_1), + "Eff. field in rot. frame %s (rad/s)"%(w_eff), + "Rot. frame tilt ang. %s (rad)"%(theta) + ], + wiz_combo_data = [X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA], + wiz_read_only = True +) +uf.add_keyarg( name = "num_points", default = 1000, min = 1, @@ -488,6 +518,28 @@ desc_short = "interpolated dispersion curve extension (in Hz)", desc = "How far to extend the interpolated dispersion curves beyond the last dispersion point, i.e. the nu_CPMG frequency or spin-lock field strength value, in Hertz.", can_be_none = False +) +uf.add_keyarg( + name = "extend_ppm", + py_type = "num", + default = 500.0, + desc_short = "interpolated offset curve extension (in ppm)", + desc = "How far to extend the interpolated dispersion curves beyond the last dispersion point, i.e. the spin-lock offset value, in ppm.", + can_be_none = False +) +uf.add_keyarg( + name = "interpolate", + default = INTERPOLATE_DISP, + py_type = "str", + desc_short = "How to interpolate the fitted curves", + desc = "Either by option '%s' which interpolate CPMG frequency or spin-lock field strength, or by option '%s' which interpole over spin-lock offset."%(INTERPOLATE_DISP, INTERPOLATE_OFFSET), + wiz_element_type = 'combo', + wiz_combo_choices = [ + "Interpolate CPMG %s (Hz)/Spin-lock %s (Hz)"%(nu_cpmg, nu_1), + "Interpolate Spin-lock %s (ppm)"%(w_rf) + ], + wiz_combo_data = [INTERPOLATE_DISP, INTERPOLATE_OFFSET], + wiz_read_only = True ) uf.add_keyarg( name = "force",