Author: bugman
Date: Sun Jun 29 15:45:51 2008
New Revision: 6597
URL: http://svn.gna.org/viewcvs/relax?rev=6597&view=rev
Log:
Converted the eliminate() function to the new relax design.
Modified:
1.3/generic_fns/eliminate.py
Modified: 1.3/generic_fns/eliminate.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/eliminate.py?rev=6597&r1=6596&r2=6597&view=diff
==============================================================================
--- 1.3/generic_fns/eliminate.py (original)
+++ 1.3/generic_fns/eliminate.py Sun Jun 29 15:45:51 2008
@@ -29,47 +29,84 @@
# relax module imports.
from data import Relax_data_store; ds = Relax_data_store()
from relax_errors import RelaxError, RelaxNoPipeError
+from specific_fns.setup import get_specific_fn
-def eliminate(run=None, function=None, args=None):
- """Function for model elimination."""
+def eliminate(function=None, args=None):
+ """Model elimination.
- # Create the list of runs.
- self.runs = self.relax.generic.runs.list_of_runs(run)
+ @keyword function: A user supplied function for model elimination.
This function should accept
+ five arguments, a string defining a certain
parameter, the value of the
+ parameter, the minimisation instance (ie the residue
index if the model
+ is residue specific), and the function arguments.
If the model is rejected,
+ the function should return True, otherwise it should
return False. The
+ function will be executed multiple times, once for
each parameter of the model.
+ @type function: function
+ @param args: The arguments to be passed to the user supplied
function.
+ @type args: tuple
+ """
- # Loop over the runs.
- for self.run in self.runs:
- # Test if the run exists.
- if not self.run in ds.run_names:
- raise RelaxNoPipeError, self.run
+ # Test if the current data pipe exists.
+ if not ds.current_pipe:
+ raise RelaxNoPipeError
- # Function type.
- function_type = ds.run_types[ds.run_names.index(self.run)]
+ # Alias the current data pipe.
+ cdp = ds[ds.current_pipe]
- # Specific eliminate, parameter names, parameter values, number of
instances, and deselect function setup.
- eliminate = self.relax.specific_setup.setup('eliminate',
function_type)
- param_names = self.relax.specific_setup.setup('param_names',
function_type)
- param_values = self.relax.specific_setup.setup('param_values',
function_type)
- num_instances = self.relax.specific_setup.setup('num_instances',
function_type)
- deselect = self.relax.specific_setup.setup('deselect', function_type)
+ # Specific eliminate, parameter names, parameter values, number of
instances, and deselect function setup.
+ eliminate = get_specific_fn('eliminate', cdp.pipe_type)
+ param_names = get_specific_fn('param_names', cdp.pipe_type)
+ param_values = get_specific_fn('param_values', cdp.pipe_type)
+ num_instances = get_specific_fn('num_instances', cdp.pipe_type)
+ deselect = get_specific_fn('deselect', cdp.pipe_type)
- # Get the number of instances and loop over them.
- for i in xrange(num_instances(self.run)):
- # Determine if simulations are active for the run.
- if hasattr(ds, 'sim_state') and ds.sim_state.has_key(self.run)
and ds.sim_state[self.run] == 1:
- sim_state = 1
- else:
- sim_state = 0
+ # Get the number of instances and loop over them.
+ for i in xrange(num_instances()):
+ # Determine if simulations are active.
+ if hasattr(cdp, 'sim_state') and cdp.sim_state == True:
+ sim_state = True
+ else:
+ sim_state = False
- # Model elimination.
- ####################
+ # Model elimination.
+ ####################
- if sim_state == 0:
+ if not sim_state:
+ # Get the parameter names and values.
+ names = param_names(i)
+ values = param_values(i)
+
+ # No data.
+ if names == None or values == None:
+ continue
+
+ # Test that the names and values vectors are of equal length.
+ if len(names) != len(values):
+ raise RelaxError, "The names vector " + `names` + " is of a
different length to the values vector " + `values` + "."
+
+ # Loop over the parameters.
+ flag = False
+ for j in xrange(len(names)):
+ # Eliminate function.
+ if eliminate(names[j], values[j], i, args):
+ flag = True
+
+ # Deselect.
+ if flag:
+ deselect(i)
+
+
+ # Simulation elimination.
+ #########################
+
+ else:
+ # Loop over the simulations.
+ for j in xrange(cdp.sim_number):
# Get the parameter names and values.
- names = param_names(self.run, i)
- values = param_values(self.run, i)
+ names = param_names(i)
+ values = param_values(i, sim_index=j)
# No data.
if names == None or values == None:
@@ -80,42 +117,12 @@
raise RelaxError, "The names vector " + `names` + " is
of a different length to the values vector " + `values` + "."
# Loop over the parameters.
- flag = 0
- for j in xrange(len(names)):
+ flag = False
+ for k in xrange(len(names)):
# Eliminate function.
- if eliminate(names[j], values[j], self.run, i, args):
- flag = 1
+ if eliminate(names[k], values[k], i, args):
+ flag = True
# Deselect.
if flag:
- deselect(self.run, i)
-
-
- # Simulation elimination.
- #########################
-
- else:
- # Loop over the simulations.
- for j in xrange(ds.sim_number[self.run]):
- # Get the parameter names and values.
- names = param_names(self.run, i)
- values = param_values(self.run, i, sim_index=j)
-
- # No data.
- if names == None or values == None:
- continue
-
- # Test that the names and values vectors are of equal
length.
- if len(names) != len(values):
- raise RelaxError, "The names vector " + `names` + "
is of a different length to the values vector " + `values` + "."
-
- # Loop over the parameters.
- flag = 0
- for k in xrange(len(names)):
- # Eliminate function.
- if eliminate(names[k], values[k], self.run, i, args):
- flag = 1
-
- # Deselect.
- if flag:
- deselect(self.run, i, sim_index=j)
+ deselect(i, sim_index=j)
r6597 - /1.3/generic_fns/eliminate.py