Author: tlinnet
Date: Wed Jul 30 18:07:34 2014
New Revision: 24844
URL: http://svn.gna.org/viewcvs/relax?rev=24844&view=rev
Log:
Made uniform function for returning x_axis and y_axis labels for xmgrace
plotting.
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/specific_analyses/relax_disp/data.py
Modified: branches/r1rho_plotting/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/specific_analyses/relax_disp/data.py?rev=24844&r1=24843&r2=24844&view=diff
==============================================================================
--- branches/r1rho_plotting/specific_analyses/relax_disp/data.py
(original)
+++ branches/r1rho_plotting/specific_analyses/relax_disp/data.py Wed
Jul 30 18:07:34 2014
@@ -2945,10 +2945,8 @@
colour_index += 1
# The axis labels.
- if x_axis == "w_eff":
- axis_labels.append(['\\qEffective field in rotating frame
\\xw\\B\\seff\\N\\Q (rad.s\\S-1\\N)', '\\qR\\s2\\N\\Q (rad.s\\S-1\\N)'])
- elif x_axis == "theta":
- axis_labels.append(['\\qRotating frame tilt angle \\xq\\B\\Q (rad)',
'\\qR\\s1\\xr\\B\\N\\Q (rad.s\\S-1\\N)'])
+ x_axis_label, y_axis_label = return_x_y_axis_labels(y_axis=y_axis,
x_axis=x_axis, exp_type=exp_type, interpolate=interpolate)
+ axis_labels.append([x_axis_label, y_axis_label])
return err, data, set_labels, set_colours, x_axis_type_zero, symbols,
symbol_sizes, linetype, linestyle, axis_labels
@@ -3248,10 +3246,8 @@
colour_index += 1
# The axis labels.
- if x_axis == "w_eff":
- axis_labels.append(['\\qEffective field in rotating frame
\\xw\\B\\seff\\N\\Q (rad.s\\S-1\\N)', '\\qR\\s2\\N\\Q (rad.s\\S-1\\N)'])
- elif x_axis == "theta":
- axis_labels.append(['\\qRotating frame tilt angle \\xq\\B\\Q (rad)',
'\\qR\\s1\\xr\\B\\N\\Q (rad.s\\S-1\\N)'])
+ x_axis_label, y_axis_label = return_x_y_axis_labels(y_axis=y_axis,
x_axis=x_axis, exp_type=exp_type, interpolate=interpolate)
+ axis_labels.append([x_axis_label, y_axis_label])
return err, data, set_labels, set_colours, x_axis_type_zero, symbols,
symbol_sizes, linetype, linestyle, axis_labels
@@ -4274,6 +4270,64 @@
return offset
+def return_x_y_axis_labels(y_axis=None, x_axis=None, exp_type=None,
interpolate=None):
+ """Return the X and Y labels and plot settings, according to selected
axis to plot for.
+
+ @keyword y_axis: String flag to tell which data on Y axis to plot
for. 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 = R1rho / sin^2(theta) - R_1 / tan^2(theta) = (R1rho -
R_1 * cos^2(theta) ) / sin^2(theta).
+ @type y_axis: str
+ @keyword x_axis: String flag to tell which data on X axis to plot
for. 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)'.
+ @type x_axis: str
+ @keyword interpolate: How to interpolate the fitted curves. Either by
option "%s" which interpolate CPMG frequency or spin-lock field strength, or
by option "%s" which interpole over spin-lock offset.
+ @type interpolate: float
+ @return: The X-axis label for grace plotting, yhe Y-axis
label for grace plotting
+ @rtype: str, str
+ """%(Y_AXIS_R2_EFF, Y_AXIS_R2_R1RHO, X_AXIS_DISP, X_AXIS_W_EFF,
X_AXIS_THETA, INTERPOLATE_DISP, INTERPOLATE_OFFSET)
+
+ # If x_axis is with dispersion points.
+ if x_axis == X_AXIS_DISP:
+ if interpolate == INTERPOLATE_DISP:
+ if exp_type in EXP_TYPE_LIST_CPMG:
+ # Set x_label.
+ x_label = "\\qCPMG pulse train frequency \\Q (Hz)"
+
+ elif exp_type in EXP_TYPE_LIST_R1RHO:
+ # Set x_label.
+ x_label = "\\qSpin-lock field strength \\xn\\B\\s1\\N\\Q
(Hz)"
+
+ elif interpolate == INTERPOLATE_OFFSET:
+ x_label = "\\qSpin-lock offset \\Q (ppm)"
+
+ # If x_axis is effective field w_eff.
+ elif x_axis == X_AXIS_W_EFF:
+ # Set x_label.
+ x_label = "\\qEffective field in rotating frame \\xw\\B\\seff\\N\\Q
(rad.s\\S-1\\N)"
+
+ # If x_axis is angle theta.
+ elif x_axis == X_AXIS_THETA:
+ # Set x_label.
+ x_label = "\\qRotating frame tilt angle \\xq\\B\\Q (rad)"
+
+ # If plotting either CPMG R2eff or R1rho.
+ if y_axis == Y_AXIS_R2_EFF:
+ if exp_type in EXP_TYPE_LIST_CPMG:
+ # Set y_label.
+ y_label = "%s - \\qR\\s2,eff\\N\\Q (rad.s\\S-1\\N)"%exp_type
+
+ elif exp_type in EXP_TYPE_LIST_R1RHO:
+ # Set y_label.
+ y_label = "%s - \\qR\\s1\\xr\\B\\N\\Q (rad.s\\S-1\\N)"%exp_type
+
+ # If plotting special R1rho R2 values.
+ # R_2 = R1rho / sin^2(theta) - R_1 / tan^2(theta) = (R1rho - R_1 *
cos^2(theta) ) / sin^2(theta).
+ elif y_axis == Y_AXIS_R2_R1RHO:
+ if exp_type in EXP_TYPE_LIST_R1RHO:
+ # Set y_label.
+ y_label = "%s - \\qR\\s2\\N\\Q (rad.s\\S-1\\N)"%exp_type
+
+ # Return axis labels
+ return x_label, y_label
+
+
def return_x_y_point(data_type=None, y_axis=None, x_axis=None,
interpolate=None, data_key=None, spin=None, back_calc=None, offset=None,
point=None, r1=None, r1_err=None, w_eff=None, theta=None, err=False):
"""Return the X and Y data point, according to selected axis to plot for.
@@ -4416,13 +4470,22 @@
@rtype: str, int, float, int, int
"""
- # Determine y-data type label.
- if exp_type in EXP_TYPE_LIST_CPMG:
- r_string = "R\\s2eff\\N"
- elif y_axis == Y_AXIS_R2_EFF:
- r_string = "R\\s1\\xr\\B\\N"
+ # If plotting either CPMG R2eff or R1rho.
+ if y_axis == Y_AXIS_R2_EFF:
+ if exp_type in EXP_TYPE_LIST_CPMG:
+ # Set y_label.
+ r_string = "R\\s2eff\\N"
+
+ elif exp_type in EXP_TYPE_LIST_R1RHO:
+ # Set y_label.
+ r_string = "R\\s1\\xr\\B\\N"
+
+ # If plotting special R1rho R2 values.
+ # R_2 = R1rho / sin^2(theta) - R_1 / tan^2(theta) = (R1rho - R_1 *
cos^2(theta) ) / sin^2(theta).
elif y_axis == Y_AXIS_R2_R1RHO:
- r_string = "R\\s2\\N"
+ if exp_type in EXP_TYPE_LIST_R1RHO:
+ # Set y_label.
+ r_string = "R\\s2\\N"
# Determine unit string.
if offset != None and frq != None:
r24844 - /branches/r1rho_plotting/specific_analyses/relax_disp/data.py