Author: bugman
Date: Tue May 12 14:56:23 2009
New Revision: 9058
URL: http://svn.gna.org/viewcvs/relax?rev=9058&view=rev
Log:
Converted all parts of the hybrid module to the 1.3 line design.
This includes the addition of many new, very simple methods and the
translation of old code.
Modified:
1.3/specific_fns/hybrid.py
Modified: 1.3/specific_fns/hybrid.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/hybrid.py?rev=9058&r1=9057&r2=9058&view=diff
==============================================================================
--- 1.3/specific_fns/hybrid.py (original)
+++ 1.3/specific_fns/hybrid.py Tue May 12 14:56:23 2009
@@ -21,11 +21,11 @@
###############################################################################
# relax module imports.
-from data import Relax_data_store; ds = Relax_data_store()
from generic_fns import pipes
from generic_fns.mol_res_spin import exists_mol_res_spin_data
from generic_fns.sequence import compare_sequence
from relax_errors import RelaxError, RelaxNoSequenceError, RelaxPipeError,
RelaxSequenceError
+import setup
class Hybrid:
@@ -102,16 +102,65 @@
cdp.hybrid_pipes = pipe_list
- def model_statistics(self, run=None, instance=None, global_stats=None):
- """Function for returning the values k, n, and chi2 of the hybrid.
+ def model_desc(self, model_index):
+ """Return a description of the model.
+
+ @param model_index: The model index. This is zero for the global
models or equal to the
+ global spin index (which covers the molecule,
residue, and spin
+ indices). This originates from the model_loop().
+ @type model_index: int
+ @return: The model description.
+ @rtype: str
+ """
+
+ return "hybrid model"
+
+
+ def model_loop(self):
+ """Dummy generator method - this should be a global model!"""
+
+ yield 0
+
+
+ def model_type(self):
+ """Method stating that this is a global model."""
+
+ return 'global'
+
+
+ def model_statistics(self, model_info=None, spin_id=None,
global_stats=None):
+ """Return the k, n, and chi2 model statistics of the hybrid.
k - number of parameters.
n - number of data points.
chi2 - the chi-squared value.
- """
-
- # Arguments.
- self.run = run
+
+
+ @keyword model_index: The model index. This is zero for the
global models or equal to the
+ global spin index (which covers the
molecule, residue, and spin
+ indices). This originates from the
model_loop().
+ @type model_index: int
+ @keyword spin_id: The spin identification string. Either this
or the instance keyword
+ argument must be supplied.
+ @type spin_id: None or str
+ @keyword global_stats: A parameter which determines if global or
local statistics are
+ returned. If None, then the appropriateness
of global or local
+ statistics is automatically determined.
+ @type global_stats: None or bool
+ @return: The optimisation statistics, in tuple
format, of the number of
+ parameters (k), the number of data points
(n), and the chi-squared
+ value (chi2).
+ @rtype: tuple of int, int, float
+ """
+
+ # Bad argument combination.
+ if model_info == None and spin_id == None:
+ raise RelaxError, "Either the model_info or spin_id argument
must be supplied."
+ elif model_info != None and spin_id != None:
+ raise RelaxError, "The model_info arg " + `model_info` + " and
spin_id arg " + `spin_id` + " clash. Only one should be supplied."
+
+ # Get the current data pipe.
+ cdp = pipes.get_pipe()
# Initialise.
k_total = 0
@@ -119,38 +168,42 @@
chi2_total = 0.0
# Specific setup.
- for run in ds.hybrid_pipes[self.run]:
- # Function type.
- function_type = ds.run_types[ds.run_names.index(run)]
+ for pipe in cdp.hybrid_pipes:
+ # Switch to the data pipe.
+ pipes.switch(pipe)
# Specific model statistics and number of instances functions.
- model_statistics =
self.relax.specific_setup.setup('model_stats', function_type)
+ model_statistics = setup.get_specific_fn('model_stats',
pipes.get_type(pipe))
# Loop over the instances.
- for i in xrange(num):
- # Get the statistics.
- k, n, chi2 = model_statistics(run, instance=i,
global_stats=global_stats)
-
- # Bad stats.
- if k == None or n == None or chi2 == None:
- continue
-
- # Sum the stats.
- k_total = k_total + k
- n_total = n_total + n
- chi2_total = chi2_total + chi2
+ #for i in xrange(num):
+ # Get the statistics.
+ k, n, chi2 = model_statistics(model_info=model_info,
spin_id=spin_id, global_stats=global_stats)
+
+ # Bad stats.
+ if k == None or n == None or chi2 == None:
+ continue
+
+ # Sum the stats.
+ k_total = k_total + k
+ n_total = n_total + n
+ chi2_total = chi2_total + chi2
# Return the totals.
return k_total, n_total, chi2_total
- def num_instances(self, run=None):
- """Function for returning the number of instances, which for hybrids
is always 1."""
+ def num_instances(self):
+ """Return the number of instances, which for hybrids is always 1.
+
+ @return: The number of instances.
+ @rtype: int
+ """
return 1
- def skip_function(self, run=None, instance=None, min_instances=None,
num_instances=None):
+ def skip_function(self, model_index=None):
"""Dummy function."""
return
r9058 - /1.3/specific_fns/hybrid.py