Author: bugman
Date: Mon Oct 8 17:16:25 2012
New Revision: 17748
URL: http://svn.gna.org/viewcvs/relax?rev=17748&view=rev
Log:
Redesigned how diffusion tensor simulation structures are handled.
The design is now much cleaner and works with all Python versions.
Modified:
branches/tensor_data/data/diff_tensor.py
Modified: branches/tensor_data/data/diff_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/tensor_data/data/diff_tensor.py?rev=17748&r1=17747&r2=17748&view=diff
==============================================================================
--- branches/tensor_data/data/diff_tensor.py (original)
+++ branches/tensor_data/data/diff_tensor.py Mon Oct 8 17:16:25 2012
@@ -636,6 +636,9 @@
# Initialise the spheroid type flag.
self.__dict__['_spheroid_type'] = False
+ # The number of simulations.
+ self.__dict__['_sim_num'] = None
+
def __setattr__(self, name, value):
"""Function for calculating the parameters, unit vectors, and
tensors on the fly.
@@ -886,17 +889,14 @@
# Only create the MC simulation object if its dependencies exist.
if not missing_dep:
- # The number of simulations.
- num_sim = len(self.__dict__[update_if_set[0]+'_sim'])
-
# Initialise an empty array to store the MC simulation
object elements (if it doesn't already exist).
if not target+'_sim' in self.__dict__:
- self.__dict__[target+'_sim'] = DiffTensorSimList(target,
self, elements=num_sim)
+ self.__dict__[target+'_sim'] =
DiffTensorSimList(elements=self._sim_num)
# Repackage the deps structure.
args = []
skip = False
- for i in range(num_sim):
+ for i in range(self._sim_num):
args.append(())
# Loop over the dependent structures.
@@ -915,7 +915,7 @@
# Loop over the sims and set the values.
if not skip:
- for i in range(num_sim):
+ for i in range(self._sim_num):
# Calculate the value.
value = fn(*args[i])
@@ -980,11 +980,22 @@
# Set a simulation value.
else:
+ # Check that the simulation number has been set.
+ if self._sim_num == None:
+ raise RelaxError("The diffusion tensor simulation number has
not yet been specified, therefore a simulation value cannot be set.")
+
+ # The simulation parameter name.
+ sim_param = param+'_sim'
+
+ # No object, so create it.
+ if not hasattr(self, sim_param):
+ self.__dict__[sim_param] =
DiffTensorSimList(elements=self._sim_num)
+
# The object.
- obj = getattr(self, param+'_sim')
+ obj = getattr(self, sim_param)
# Set the value.
- obj[sim_index] = value
+ obj._set(value=value, sim_index=sim_index)
# Flag for the spheroid type.
if param == 'spheroid_type' and value:
@@ -997,6 +1008,21 @@
# Update the data structures.
for target, update_if_set, depends in
dependency_generator(self.type):
self._update_object(param, target, update_if_set, depends,
category)
+
+
+ def set_sim_num(self, sim_number=None):
+ """Set the number of Monte Carlo simulations for the construction of
the simulation structures.
+
+ @keyword sim_number: The number of Monte Carlo simulations.
+ @type sim_number: int
+ """
+
+ # Check if not already set.
+ if self._sim_num != None:
+ raise RelaxError("The number of simulations has already been
set.")
+
+ # Store the value.
+ self.__dict__['_sim_num'] = sim_number
def set_type(self, value):
@@ -1056,10 +1082,6 @@
if name in list(self.__class__.__dict__.keys()) or name in
dir(list):
continue
- # Skip the diff_element object.
- if name == 'diff_element':
- continue
-
# Get the object.
value = getattr(self, name)
@@ -1070,66 +1092,60 @@
return new_obj
- def __init__(self, param_name, diff_element, elements=None):
+ def __init__(self, elements=None):
"""Initialise the Monte Carlo simulation parameter list.
- This function makes the parameter name and parent object accessible
to the functions of this
- list object.
-
- @param param_name: The name of the parameter.
- @type param_name: str
- @param diff_element: The parent class.
- @type diff_element: DiffTensorData element
@keyword elements: The optional number of elements to
initialise the length of the list
to.
@type elements: None or int
"""
- # Initialise.
- self.param_name = param_name
- self.diff_element = diff_element
-
# Initialise a length.
if elements:
for i in range(elements):
- self.append(None)
-
-
- def __setitem__(self, slice_obj, value):
+ self._append(None)
+
+ # Alias the __setitem__() method.
+ self.__setitem__ = self.__setitem_orig__
+
+
+ def __setitem_orig__(self, slice_obj, value):
"""This is a read-only object!"""
raise RelaxError("The diffusion tensor is a read-only object. The
diffusion tensor set() method must be used instead.")
- # Set the value.
- list.__setitem__(self, slice_obj, value)
-
- # Then update the other lists.
- self.diff_element._update_sim_set(self.param_name, slice_obj)
+
+ def _append(self, value):
+ """The secret append method.
+
+ @param value: The value to append to the list.
+ @type value: anything
+ """
+
+ # Execute the base class method.
+ super(DiffTensorSimList, self).append(value)
+
+
+ def _set(self, value=None, sim_index=None):
+ """Replacement secret method for __setitem__().
+
+ @keyword value: The value to set.
+ @type value: anything
+ @keyword sim_index: The index of the simulation value to set.
+ @type sim_index: int
+ """
+
+ # Alias the base class method.
+ self.__setitem__ = list.__setitem__
+
+ # Execute the base class method.
+ self[sim_index] = value
+
+ # Unalias.
+ self.__setitem__ = self.__setitem_orig__
def append(self, value):
- """Replacement function for the normal self.append() method."""
-
- # Append the value to the list.
- self[len(self):len(self)] = [value]
-
- # Update the other MC lists.
- self.diff_element._update_sim_append(self.param_name, len(self)-1)
-
-
- def append_untouchable_item(self, value):
- """Append the value for an untouchable MC data structure."""
-
- # Append the value to the list.
- self[len(self):len(self)] = [value]
-
-
- def set_untouchable_item(self, slice_obj, value):
- """Set the value for an untouchable MC data structure."""
-
- # Python 3 fix - the value needs to now be a list?!
- if sys.version_info[0] >= 3:
- value = [value]
-
- # Set the value.
- list.__setitem__(self, slice_obj, value)
+ """This is a read-only object!"""
+
+ raise RelaxError("The diffusion tensor is a read-only object. The
diffusion tensor set() method must be used instead.")
r17748 - /branches/tensor_data/data/diff_tensor.py