Author: bugman
Date: Sun Dec 9 19:34:57 2007
New Revision: 4161
URL: http://svn.gna.org/viewcvs/relax?rev=4161&view=rev
Log:
Implemented the get_specific_fn() function.
Modified:
1.3/specific_fns/__init__.py
Modified: 1.3/specific_fns/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/__init__.py?rev=4161&r1=4160&r2=4161&view=diff
==============================================================================
--- 1.3/specific_fns/__init__.py (original)
+++ 1.3/specific_fns/__init__.py Sun Dec 9 19:34:57 2007
@@ -55,6 +55,175 @@
def get_specific_fn(eqi, function_type, raise_error=1):
"""The function for returning the requested specific function."""
+ # Initialise.
+ function = None
+
+ # Get the class instance corresponding to function_type.
+ inst = get_instance(function_type)
+
+ # Attempt to retrieve the function.
+ try:
+ # Back-calculate function.
+ if eqi == 'back_calc':
+ function = inst.back_calc
+
+ # Calculate function.
+ if eqi == 'calculate':
+ function = inst.calculate
+
+ # Copy function.
+ if eqi == 'copy':
+ function = inst.copy
+
+ # Create Monte Carlo data function.
+ if eqi == 'create_mc_data':
+ function = inst.create_mc_data
+
+ # Duplicate data function.
+ if eqi == 'duplicate_data':
+ function = inst.duplicate_data
+
+ # Eliminate models.
+ if eqi == 'eliminate':
+ function = inst.eliminate
+
+ # Grid search function.
+ if eqi == 'grid_search':
+ function = inst.grid_search
+
+ # Initial Monte Carlo parameter value search function.
+ if eqi == 'init_sim_values':
+ function = inst.sim_init_values
+
+ # Map bounds function.
+ if eqi == 'map_bounds':
+ function = inst.map_bounds
+
+ # Minimise function.
+ if eqi == 'minimise':
+ function = inst.minimise
+
+ # Model statistics.
+ if eqi == 'model_stats':
+ function = inst.model_statistics
+
+ # Molmol macro creation.
+ if eqi == 'molmol_macro':
+ function = inst.molmol.macro
+
+ # Number of instances.
+ if eqi == 'num_instances':
+ function = inst.num_instances
+
+ # Overfit deselect.
+ if eqi == 'overfit_deselect':
+ function = inst.overfit_deselect
+
+ # Pack Monte Carlo simulation data function.
+ if eqi == 'pack_sim_data':
+ function = inst.sim_pack_data
+
+ # Parameter names function.
+ if eqi == 'param_names':
+ function = inst.get_param_names
+
+ # Parameter values function.
+ if eqi == 'param_values':
+ function = inst.get_param_values
+
+ # Read results file function (Columnar format).
+ if eqi == 'read_columnar_results':
+ function = inst.read_columnar_results
+
+ # Read results file function (XML format).
+ #if eqi == 'read_xml_results':
+ # function = inst.read_xml_results
+
+ # Data returning function.
+ if eqi == 'return_data':
+ function = inst.return_data
+
+ # Data or parameter name returning function.
+ if eqi == 'return_data_name':
+ function = inst.return_data_name
+
+ # Data error returning function.
+ if eqi == 'return_error':
+ function = inst.return_error
+
+ # Factor of conversion between different parameter units returning
function.
+ if eqi == 'return_conversion_factor':
+ function = inst.return_conversion_factor
+
+ # Grace string returning function.
+ if eqi == 'return_grace_string':
+ function = inst.return_grace_string
+
+ # Selected simulation array returning function.
+ if eqi == 'return_selected_sim':
+ function = inst.sim_return_selected
+
+ # Simulation chi-squared array returning function.
+ if eqi == 'return_sim_chi2':
+ function = inst.sim_return_chi2
+
+ # Simulation parameter array returning function.
+ if eqi == 'return_sim_param':
+ function = inst.sim_return_param
+
+ # String of the external parameter units returning function.
+ if eqi == 'return_units':
+ function = inst.return_units
+
+ # Value and error returning function.
+ if eqi == 'return_value':
+ function = inst.return_value
+
+ # Set function.
+ if eqi == 'set':
+ function = inst.set
+
+ # Set error function.
+ if eqi == 'set_error':
+ function = inst.set_error
+
+ # Set the selected simulations array.
+ if eqi == 'set_selected_sim':
+ function = inst.set_selected_sim
+
+ # Skip function.
+ if eqi == 'skip_function':
+ function = inst.skip_function
+
+ # Unselect function.
+ if eqi == 'unselect':
+ function = inst.unselect
+
+ # Write results function (Columnar format).
+ if eqi == 'write_columnar_results':
+ function = inst.write_columnar_results
+
+ # Write results function (XML format).
+ #if eqi == 'write_xml_results':
+ # function = inst.write_xml_results
+
+ # Catch if the function is missing.
+ except AttributeError:
+ function = None
+
+ # Raise an error if the function doesn't exist.
+ if raise_error and function == None:
+ # Some debugging output.
+ if Debug:
+ print "Function type: " + `function_type`
+ print "Eqi: " + `eqi`
+
+ # Raise the error.
+ raise RelaxFuncSetupError, get_string(function_type)
+
+ # Return the function.
+ return function
+
def get_instance(function_type):
"""Function for returning the class instance corresponding to the
function type."""
r4161 - /1.3/specific_fns/__init__.py