Author: bugman
Date: Thu Apr 10 12:47:02 2014
New Revision: 22674
URL: http://svn.gna.org/viewcvs/relax?rev=22674&view=rev
Log:
Huge simplification of the
specific_analyses.frame_order.parameters.assemble_param_vector() function.
The parameters are now assembled in a generic way by looping over cdp.params.
The simpler code
should also be faster.
Modified:
trunk/specific_analyses/frame_order/parameters.py
Modified: trunk/specific_analyses/frame_order/parameters.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/parameters.py?rev=22674&r1=22673&r2=22674&view=diff
==============================================================================
--- trunk/specific_analyses/frame_order/parameters.py (original)
+++ trunk/specific_analyses/frame_order/parameters.py Thu Apr 10 12:47:02
2014
@@ -57,123 +57,21 @@
# Initialise.
param_vect = []
- # Pivot point.
- if not pivot_fixed():
- param_vect.append(cdp.pivot_x)
- param_vect.append(cdp.pivot_y)
- param_vect.append(cdp.pivot_z)
-
- # Normal values.
- if sim_index == None:
- # Average position translation.
- if not translation_fixed():
- param_vect.append(cdp.ave_pos_x)
- param_vect.append(cdp.ave_pos_y)
- param_vect.append(cdp.ave_pos_z)
-
- # Initialise the parameter array using the tensor rotation Euler
angles (average domain position).
- if cdp.model in ['free rotor', 'iso cone, free rotor']:
- param_vect.append(cdp.ave_pos_beta)
- param_vect.append(cdp.ave_pos_gamma)
+ # Parameter name extension.
+ ext = ''
+ if sim_index != None:
+ ext = '_sim'
+
+ # Loop over all model parameters.
+ for param_name in cdp.params:
+ # Get the object.
+ obj = getattr(cdp, param_name+ext)
+
+ # Add it to the parameter vector.
+ if sim_index == None:
+ param_vect.append(obj)
else:
- param_vect.append(cdp.ave_pos_alpha)
- param_vect.append(cdp.ave_pos_beta)
- param_vect.append(cdp.ave_pos_gamma)
-
- # Frame order eigenframe - the full frame.
- if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
- param_vect.append(cdp.eigen_alpha)
- param_vect.append(cdp.eigen_beta)
- 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', 'double rotor']:
- param_vect.append(cdp.axis_theta)
- param_vect.append(cdp.axis_phi)
-
- # Frame order eigenframe - the second rotation axis.
- 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']:
- param_vect.append(cdp.cone_theta_x)
- param_vect.append(cdp.cone_theta_y)
-
- # Cone parameters - single isotropic angle or order parameter.
- elif cdp.model in ['iso cone', 'iso cone, torsionless']:
- param_vect.append(cdp.cone_theta)
- elif cdp.model in ['iso cone, free rotor']:
- param_vect.append(cdp.cone_s1)
-
- # Cone parameters - torsion angle.
- if cdp.model in ['double rotor', 'rotor', 'line', 'iso cone',
'pseudo-ellipse']:
- param_vect.append(cdp.cone_sigma_max)
-
- # Cone parameters - 2nd torsion angle.
- if cdp.model in ['double rotor']:
- param_vect.append(cdp.cone_sigma_max_2)
-
- # Simulation values.
- else:
- # Average position translation.
- if not translation_fixed():
- param_vect.append(cdp.ave_pos_x_sim[sim_index])
- param_vect.append(cdp.ave_pos_y_sim[sim_index])
- param_vect.append(cdp.ave_pos_z_sim[sim_index])
-
- # Initialise the parameter array using the tensor rotation Euler
angles (average domain position).
- if cdp.model in ['free rotor', 'iso cone, free rotor']:
- param_vect.append(cdp.ave_pos_beta_sim[sim_index])
- param_vect.append(cdp.ave_pos_gamma_sim[sim_index])
- else:
- param_vect.append(cdp.ave_pos_alpha_sim[sim_index])
- param_vect.append(cdp.ave_pos_beta_sim[sim_index])
- param_vect.append(cdp.ave_pos_gamma_sim[sim_index])
-
- # Frame order eigenframe - the full frame.
- if cdp.model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor']:
- param_vect.append(cdp.eigen_alpha_sim[sim_index])
- param_vect.append(cdp.eigen_beta_sim[sim_index])
- 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', 'double rotor']:
- param_vect.append(cdp.axis_theta_sim[sim_index])
- param_vect.append(cdp.axis_phi_sim[sim_index])
-
- # Frame order eigenframe - the second rotation axis.
- 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']:
- param_vect.append(cdp.cone_theta_x_sim[sim_index])
- param_vect.append(cdp.cone_theta_y_sim[sim_index])
-
- # Cone parameters - single isotropic angle or order parameter.
- elif cdp.model in ['iso cone', 'iso cone, torsionless']:
- param_vect.append(cdp.cone_theta_sim[sim_index])
- elif cdp.model in ['iso cone, free rotor']:
- param_vect.append(cdp.cone_s1_sim[sim_index])
-
- # Cone parameters - torsion angle.
- if cdp.model in ['double rotor', 'rotor', 'line', 'iso cone',
'pseudo-ellipse']:
- param_vect.append(cdp.cone_sigma_max_sim[sim_index])
-
- # Cone parameters - 2nd torsion angle.
- if cdp.model in ['double rotor']:
- param_vect.append(cdp.cone_sigma_max_sim_2[sim_index])
+ param_vect.append(obj[sim_index])
# Return as a numpy array.
return array(param_vect, float64)
r22674 - /trunk/specific_analyses/frame_order/parameters.py