Author: bugman
Date: Sun Feb 18 00:48:21 2007
New Revision: 3016
URL: http://svn.gna.org/viewcvs/relax?rev=3016&view=rev
Log:
Created the generator function 'dependency_generator()'.
This generator is for looping over the list of target parameters to update
when a parameter is set.
It replaces all the self._update_object() calls and simplifies the code. It
will also be used for
updating the Monte Carlo simulation data structures.
Modified:
1.3/data/diff_tensor.py
Modified: 1.3/data/diff_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/data/diff_tensor.py?rev=3016&r1=3015&r2=3016&view=diff
==============================================================================
--- 1.3/data/diff_tensor.py (original)
+++ 1.3/data/diff_tensor.py Sun Feb 18 00:48:21 2007
@@ -28,6 +28,52 @@
from generic_fns.diffusion_tensor import calc_Diso, calc_Dpar,
calc_Dpar_unit, calc_Dper, calc_Dratio, calc_Dx, calc_Dx_unit, calc_Dy,
calc_Dy_unit, calc_Dz, calc_Dz_unit, calc_rotation, calc_tensor,
calc_tensor_diag
+
+def dependency_generator(diff_type):
+ """Generator for the automatic updating the diffusion tensor data
structures.
+
+ The order of the yield statements is important!
+
+ @param diff_type: The type of Brownian rotational diffusion.
+ @type diff_type: str
+ @return: This generator successively yields three objects,
the target object to
+ update, the list of parameters which if modified
cause the target to be
+ updated, and the list of parameters that the target
depends upon.
+ """
+
+ # Spherical diffusion.
+ if diff_type == 'sphere':
+ yield ('Diso', ['tm'], ['tm'])
+ yield ('tensor_diag', ['tm'], ['type', 'Diso'])
+ yield ('rotation', ['tm'], ['type'])
+ yield ('tensor', ['tm'], ['rotation', 'tensor_diag'])
+
+ # Spheroidal diffusion.
+ elif diff_type == 'spheroid':
+ yield ('Diso', ['tm'], ['tm'])
+ yield ('Dpar', ['tm', 'Da'], ['Diso',
'Da'])
+ yield ('Dper', ['tm', 'Da'], ['Diso',
'Da'])
+ yield ('Dratio', ['tm', 'Da'], ['Dpar',
'Dper'])
+ yield ('Dpar_unit', ['theta', 'phi'], ['theta',
'phi'])
+ yield ('tensor_diag', ['tm', 'Da'], ['type',
'Dpar', 'Dper'])
+ yield ('rotation', ['theta', 'phi'], ['type',
'theta', 'phi', 'Dpar_unit'])
+ yield ('tensor', ['tm', 'Da', 'theta', 'phi'], ['rotation',
'tensor_diag'])
+
+ # Ellipsoidal diffusion.
+ elif diff_type == 'ellipsoid':
+ yield ('Diso', ['tm'],
['tm'])
+ yield ('Dx', ['tm', 'Da', 'Dr'],
['Diso', 'Da', 'Dr'])
+ yield ('Dy', ['tm', 'Da', 'Dr'],
['Diso', 'Da', 'Dr'])
+ yield ('Dz', ['tm', 'Da'],
['Diso', 'Da'])
+ yield ('Dx_unit', ['alpha', 'beta', 'gamma'],
['alpha', 'beta', 'gamma'])
+ yield ('Dy_unit', ['alpha', 'beta', 'gamma'],
['alpha', 'beta', 'gamma'])
+ yield ('Dz_unit', ['alpha', 'beta'],
['alpha', 'beta'])
+ yield ('tensor_diag', ['tm', 'Da', 'Dr'],
['type', 'Dx', 'Dy', 'Dz'])
+ yield ('rotation', ['alpha', 'beta', 'gamma'],
['type', 'Dx_unit', 'Dy_unit', 'Dz_unit'])
+ yield ('tensor', ['tm', 'Da', 'Dr', 'alpha', 'beta',
'gamma'], ['rotation', 'tensor_diag'])
+
+
+
# Diffusion tensor specific data.
#################################
@@ -64,10 +110,6 @@
Dratio = Dpar / Dper.
"""
-
- ######################
- # Set the attribute. #
- ######################
# Get the base parameter name and determine the object category
('val', 'err', or 'sim').
if search('_err$', name):
@@ -104,77 +146,9 @@
if name in ['type', 'fixed', 'spheroid_type']:
return
-
- ###############################
- # Update the data structures. #
- ###############################
-
-
- # Objects for all tensor types.
- ###############################
-
- # The isotropic diffusion rate Diso.
- self._update_object(param_name, target='Diso', update_if_set=['tm'],
depends=['tm'], category=category)
-
-
- # Spherical diffusion.
- ######################
-
- if self.type == 'sphere':
- # Update the diagonalised diffusion tensor (within the diffusion
frame).
- self._update_object(param_name, target='tensor_diag',
update_if_set=['tm'], depends=['type', 'Diso'], category=category)
-
- # The rotation matrix (diffusion frame to structural frame).
- self._update_object(param_name, target='rotation',
update_if_set=['tm'], depends=['type'], category=category)
-
- # The diffusion tensor (within the structural frame).
- self._update_object(param_name, target='tensor',
update_if_set=['tm'], depends=['rotation', 'tensor_diag'], category=category)
-
-
- # Spheroidal diffusion.
- #######################
-
- elif self.type == 'spheroid':
- # Update Dpar, Dper, and Dratio.
- self._update_object(param_name, target='Dpar',
update_if_set=['tm', 'Da'], depends=['Diso', 'Da'], category=category)
- self._update_object(param_name, target='Dper',
update_if_set=['tm', 'Da'], depends=['Diso', 'Da'], category=category)
- self._update_object(param_name, target='Dratio',
update_if_set=['tm', 'Da'], depends=['Dpar', 'Dper'], category=category)
-
- # Update the unit vector parallel to the axis.
- self._update_object(param_name, target='Dpar_unit',
update_if_set=['theta', 'phi'], depends=['theta', 'phi'], category=category)
-
- # Update the diagonalised diffusion tensor (within the diffusion
frame).
- self._update_object(param_name, target='tensor_diag',
update_if_set=['tm', 'Da'], depends=['type', 'Dpar', 'Dper'],
category=category)
-
- # The rotation matrix (diffusion frame to structural frame).
- self._update_object(param_name, target='rotation',
update_if_set=['theta', 'phi'], depends=['type', 'theta', 'phi',
'Dpar_unit'], category=category)
-
- # The diffusion tensor (within the structural frame).
- self._update_object(param_name, target='tensor',
update_if_set=['tm', 'Da', 'theta', 'phi'], depends=['rotation',
'tensor_diag'], category=category)
-
-
- # Ellipsoidal diffusion.
- ########################
-
- elif self.type == 'ellipsoid':
- # Update Dx, Dy, and Dz.
- self._update_object(param_name, target='Dx',
update_if_set=['tm', 'Da', 'Dr'], depends=['Diso', 'Da', 'Dr'],
category=category)
- self._update_object(param_name, target='Dy',
update_if_set=['tm', 'Da', 'Dr'], depends=['Diso', 'Da', 'Dr'],
category=category)
- self._update_object(param_name, target='Dz',
update_if_set=['tm', 'Da'], depends=['Diso', 'Da'], category=category)
-
- # Update the unit vectors parallel to the axes.
- self._update_object(param_name, target='Dx_unit',
update_if_set=['alpha', 'beta', 'gamma'], depends=['alpha', 'beta', 'gamma'],
category=category)
- self._update_object(param_name, target='Dy_unit',
update_if_set=['alpha', 'beta', 'gamma'], depends=['alpha', 'beta', 'gamma'],
category=category)
- self._update_object(param_name, target='Dz_unit',
update_if_set=['beta', 'gamma'], depends=['beta', 'gamma'], category=category)
-
- # Update the diagonalised diffusion tensor (within the diffusion
frame).
- self._update_object(param_name, target='tensor_diag',
update_if_set=['tm', 'Da', 'Dr'], depends=['type', 'Dx', 'Dy', 'Dz'],
category=category)
-
- # The rotation matrix (diffusion frame to structural frame).
- self._update_object(param_name, target='rotation',
update_if_set=['alpha', 'beta', 'gamma'], depends=['type', 'Dx_unit',
'Dy_unit', 'Dz_unit'], category=category)
-
- # The diffusion tensor (within the structural frame).
- self._update_object(param_name, target='tensor',
update_if_set=['tm', 'Da', 'Dr', 'alpha', 'beta', 'gamma'],
depends=['rotation', 'tensor_diag'], category=category)
+ # Update the data structures.
+ for target, update_if_set, depends in
dependency_generator(self.type):
+ self._update_object(param_name, target, update_if_set, depends,
category)
def _update_object(self, param_name, target, update_if_set, depends,
category):
r3016 - /1.3/data/diff_tensor.py