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",
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Re: r24847 - /branches/r1rho_plotting/user_functions/relax_disp.py