Author: bugman
Date: Fri Feb 14 17:26:33 2014
New Revision: 22193
URL: http://svn.gna.org/viewcvs/relax?rev=22193&view=rev
Log:
Added support for the new axis_alpha frame order parameter to the
specific_analyses.frame_order package.
Modified:
branches/double_rotor/specific_analyses/frame_order/api.py
branches/double_rotor/specific_analyses/frame_order/parameters.py
Modified: branches/double_rotor/specific_analyses/frame_order/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/frame_order/api.py?rev=22193&r1=22192&r2=22193&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/frame_order/api.py (original)
+++ branches/double_rotor/specific_analyses/frame_order/api.py Fri Feb 14
17:26:33 2014
@@ -71,6 +71,7 @@
self.PARAMS.add('eigen_gamma', scope='global', units='rad',
desc='The Eigenframe gamma Euler angle', py_type=float, set='params',
err=True, sim=True)
self.PARAMS.add('axis_theta', scope='global', units='rad', desc='The
cone axis polar angle (for the isotropic cone model)', py_type=float,
set='params', err=True, sim=True)
self.PARAMS.add('axis_phi', scope='global', units='rad', desc='The
cone axis azimuthal angle (for the isotropic cone model)', py_type=float,
set='params', err=True, sim=True)
+ self.PARAMS.add('axis_alpha', scope='global', units='rad', desc='The
rotor axis alpha angle (the rotation angle out of the xy plane)',
py_type=float, set='params', err=True, sim=True)
self.PARAMS.add('cone_theta_x', scope='global', units='rad',
desc='The pseudo-ellipse cone opening half-angle for the x-axis',
py_type=float, set='params', err=True, sim=True)
self.PARAMS.add('cone_theta_y', scope='global', units='rad',
desc='The pseudo-ellipse cone opening half-angle for the y-axis',
py_type=float, set='params', err=True, sim=True)
self.PARAMS.add('cone_theta', scope='global', units='rad', desc='The
isotropic cone opening half-angle', py_type=float, set='params', err=True,
sim=True)
@@ -420,7 +421,7 @@
upper = 5
# Linear angle grid from 0 to one inc before 2pi.
- if cdp.params[i] in ['ave_pos_alpha', 'ave_pos_gamma',
'eigen_alpha', 'eigen_gamma', 'axis_phi']:
+ if cdp.params[i] in ['ave_pos_alpha', 'ave_pos_gamma',
'eigen_alpha', 'eigen_gamma', 'axis_phi', 'axis_alpha']:
lower = 0.0
upper = 2*pi * (1.0 - 1.0/incs[i])
@@ -544,6 +545,10 @@
# Axis spherical coordinate phi.
if param == 'axis_phi':
+ return [0.0, 2*pi]
+
+ # Axis alpha angle.
+ if param == 'axis_alpha':
return [0.0, 2*pi]
# Cone angle.
Modified: branches/double_rotor/specific_analyses/frame_order/parameters.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/frame_order/parameters.py?rev=22193&r1=22192&r2=22193&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/frame_order/parameters.py
(original)
+++ branches/double_rotor/specific_analyses/frame_order/parameters.py Fri Feb
14 17:26:33 2014
@@ -86,7 +86,7 @@
param_vect.append(cdp.eigen_gamma)
# Frame order eigenframe - the isotropic cone axis.
- elif cdp.model in ['iso cone', 'free rotor', 'iso cone,
torsionless', 'iso cone, free rotor', 'rotor', 'double rotor']:
+ elif cdp.model in ['iso cone', 'free rotor', 'iso cone,
torsionless', 'iso cone, free rotor', 'double rotor']:
param_vect.append(cdp.axis_theta)
param_vect.append(cdp.axis_phi)
@@ -94,6 +94,10 @@
if cdp.model in ['double rotor']:
param_vect.append(cdp.axis_theta_2)
param_vect.append(cdp.axis_phi_2)
+
+ # Frame order eigenframe - the rotor axis alpha angle.
+ if cdp.model in ['rotor']:
+ param_vect.append(cdp.axis_alpha)
# Cone parameters - pseudo-elliptic cone parameters.
if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
@@ -138,7 +142,7 @@
param_vect.append(cdp.eigen_gamma_sim[sim_index])
# Frame order eigenframe - the isotropic cone axis.
- elif cdp.model in ['iso cone', 'free rotor', 'iso cone,
torsionless', 'iso cone, free rotor', 'rotor', 'double rotor']:
+ elif cdp.model in ['iso cone', 'free rotor', 'iso cone,
torsionless', 'iso cone, free rotor', 'double rotor']:
param_vect.append(cdp.axis_theta_sim[sim_index])
param_vect.append(cdp.axis_phi_sim[sim_index])
@@ -146,6 +150,10 @@
if cdp.model in ['double rotor']:
param_vect.append(cdp.axis_theta_sim_2[sim_index])
param_vect.append(cdp.axis_phi_sim_2[sim_index])
+
+ # Frame order eigenframe - the rotor axis alpha angle.
+ if cdp.model in ['rotor']:
+ param_vect.append(cdp.axis_alpha_sim[sim_index])
# Cone parameters - pseudo-elliptic cone parameters.
if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
@@ -232,12 +240,16 @@
num += 3
# Frame order eigenframe - the isotropic cone axis.
- elif cdp.model in ['iso cone', 'free rotor', 'iso cone, torsionless',
'iso cone, free rotor', 'rotor', 'double rotor']:
+ elif cdp.model in ['iso cone', 'free rotor', 'iso cone, torsionless',
'iso cone, free rotor', 'double rotor']:
num += 2
# Frame order eigenframe - the second rotation axis.
if cdp.model in ['double rotor']:
num += 2
+
+ # Frame order eigenframe - the rotor axis alpha angle.
+ if cdp.model in ['rotor']:
+ num += 1
# Cone parameters - pseudo-elliptic cone parameters.
if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
@@ -296,7 +308,7 @@
cdp.params.append('eigen_gamma')
# Frame order eigenframe - the isotropic cone axis.
- elif cdp.model in ['iso cone', 'free rotor', 'iso cone, torsionless',
'iso cone, free rotor', 'rotor', 'double rotor']:
+ elif cdp.model in ['iso cone', 'free rotor', 'iso cone, torsionless',
'iso cone, free rotor', 'double rotor']:
cdp.params.append('axis_theta')
cdp.params.append('axis_phi')
@@ -304,6 +316,10 @@
if cdp.model in ['double rotor']:
cdp.params.append('axis_theta_2')
cdp.params.append('axis_phi_2')
+
+ # Frame order eigenframe - the rotor axis alpha angle.
+ if cdp.model in ['rotor']:
+ cdp.params.append('axis_alpha')
# Cone parameters - pseudo-elliptic cone parameters.
if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
r22193 - in /branches/double_rotor/specific_analyses/frame_order: api.py parameters.py