Author: bugman
Date: Fri May 16 14:36:40 2014
New Revision: 23203
URL: http://svn.gna.org/viewcvs/relax?rev=23203&view=rev
Log:
Eliminated all of the 'line' frame order models, as they are not implemented
yet.
This is just frontend code - the backend does not exist.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py
branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
branches/frame_order_cleanup/target_functions/frame_order.py
branches/frame_order_cleanup/user_functions/frame_order.py
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py?rev=23203&r1=23202&r2=23203&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py
Fri May 16 14:36:40 2014
@@ -262,7 +262,7 @@
cdp.params.append('cone_s1')
# Cone parameters - torsion angle.
- if cdp.model in ['double rotor', 'rotor', 'line', 'iso cone',
'pseudo-ellipse']:
+ if cdp.model in ['double rotor', 'rotor', 'iso cone', 'pseudo-ellipse']:
cdp.params.append('cone_sigma_max')
# Cone parameters - 2nd torsion angle.
Modified: branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/uf.py?rev=23203&r1=23202&r2=23203&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/uf.py Fri
May 16 14:36:40 2014
@@ -476,7 +476,7 @@
def select_model(model=None):
"""Select the Frame Order model.
- @param model: The Frame Order model. This can be one of
'pseudo-ellipse', 'pseudo-ellipse, torsionless', 'pseudo-ellipse, free
rotor', 'iso cone', 'iso cone, torsionless', 'iso cone, free rotor', 'line',
'line, torsionless', 'line, free rotor', 'rotor', 'rigid', 'free rotor',
'double rotor'.
+ @param model: The Frame Order model. This can be one of
'pseudo-ellipse', 'pseudo-ellipse, torsionless', 'pseudo-ellipse, free
rotor', 'iso cone', 'iso cone, torsionless', 'iso cone, free rotor', 'rotor',
'rigid', 'free rotor', 'double rotor'.
@type model: str
"""
@@ -484,7 +484,7 @@
pipes.test()
# Test if the model name exists.
- if not model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor', 'iso cone', 'iso cone, torsionless', 'iso cone,
free rotor', 'line', 'line, torsionless', 'line, free rotor', 'rotor',
'rigid', 'free rotor', 'double rotor']:
+ if not model in ['pseudo-ellipse', 'pseudo-ellipse, torsionless',
'pseudo-ellipse, free rotor', 'iso cone', 'iso cone, torsionless', 'iso cone,
free rotor', 'rotor', 'rigid', 'free rotor', 'double rotor']:
raise RelaxError("The model name " + repr(model) + " is invalid.")
# Set the model
Modified: branches/frame_order_cleanup/target_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/target_functions/frame_order.py?rev=23203&r1=23202&r2=23203&view=diff
==============================================================================
--- branches/frame_order_cleanup/target_functions/frame_order.py
(original)
+++ branches/frame_order_cleanup/target_functions/frame_order.py Fri
May 16 14:36:40 2014
@@ -317,15 +317,6 @@
elif model == 'iso cone, free rotor':
self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'phi',
'sigma'])
self.func = self.func_iso_cone_free_rotor
- elif model == 'line':
- self.create_sobol_data(n=self.num_int_pts, dims=['theta',
'sigma'])
- self.func = self.func_line
- elif model == 'line, torsionless':
- self.create_sobol_data(n=self.num_int_pts, dims=['theta'])
- self.func = self.func_line_torsionless
- elif model == 'line, free rotor':
- self.create_sobol_data(n=self.num_int_pts, dims=['theta',
'sigma'])
- self.func = self.func_line_free_rotor
elif model == 'rotor':
self.create_sobol_data(n=self.num_int_pts, dims=['sigma'])
self.func = self.func_rotor
Modified: branches/frame_order_cleanup/user_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/user_functions/frame_order.py?rev=23203&r1=23202&r2=23203&view=diff
==============================================================================
--- branches/frame_order_cleanup/user_functions/frame_order.py (original)
+++ branches/frame_order_cleanup/user_functions/frame_order.py Fri May 16
14:36:40 2014
@@ -251,9 +251,6 @@
"Free rotor model",
"Rigid model",
"Rotor model",
- "Free rotor line model",
- "Torsionless line model",
- "Line model",
"Free rotor isotropic cone",
"Torsionless isotropic cone",
"Isotropic cone",
@@ -266,9 +263,6 @@
"free rotor",
"rigid",
"rotor",
- "line, free rotor",
- "line, torsionless",
- "line",
"iso cone, free rotor",
"iso cone, torsionless",
"iso cone",
@@ -292,9 +286,6 @@
uf.desc[-1].add_item_list_element("'iso cone'", "The isotropic cone model.
The cone is defined by a single order parameter s1 which is related to the
single cone opening angle cone_theta_x = cone_theta_y. Due to rotational
symmetry about the cone axis, the average position alpha Euler angle
ave_pos_alpha is dropped from the model. The symmetry also collapses the
eigenframe to a single z-axis defined by the parameters axis_theta and
axis_phi.")
uf.desc[-1].add_item_list_element("'iso cone, torsionless'", "The isotropic
cone model with the torsion angle cone_sigma_max set to zero.")
uf.desc[-1].add_item_list_element("'iso cone, free rotor'", "The isotropic
cone model with no torsion angle restriction.")
-uf.desc[-1].add_item_list_element("'line'", "The line cone model. This is
the pseudo-elliptic cone with one of the cone angles, cone_theta_y, assumed
to be statistically negligible. I.e. the cone angle is so small that it
cannot be distinguished from noise.")
-uf.desc[-1].add_item_list_element("'line, torsionless'", "The line cone
model with the torsion angle cone_sigma_max set to zero.")
-uf.desc[-1].add_item_list_element("'line, free rotor'", "The line cone model
with no torsion angle restriction.")
uf.desc[-1].add_item_list_element("'rotor'", "The only motion is a rotation
about the cone axis restricted by the torsion angle cone_sigma_max.")
uf.desc[-1].add_item_list_element("'rigid'", "No domain motions.")
uf.desc[-1].add_item_list_element("'free rotor'", "The only motion is free
rotation about the cone axis.")
r23203 - in /branches/frame_order_cleanup: specific_analyses/frame_order/ target_functions/ user_functions/