Author: bugman
Date: Sun Dec 9 19:38:56 2007
New Revision: 4162
URL: http://svn.gna.org/viewcvs/relax?rev=4162&view=rev
Log:
Deleted the Specific_setup class.
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=4162&r1=4161&r2=4162&view=diff
==============================================================================
--- 1.3/specific_fns/__init__.py (original)
+++ 1.3/specific_fns/__init__.py Sun Dec 9 19:38:56 2007
@@ -277,421 +277,3 @@
# Unknown analysis.
raise RelaxError, "The function_type " + `function_type` + " is unknown."
-
-
-class Specific_setup:
- def __init__(self, relax):
- """Class for equation type specific function setup."""
-
- self.relax = relax
-
-
- def setup(self, eqi, function_type, raise_error=1):
- """Setup function."""
-
- # Initialise.
- self.eqi = eqi
- function = None
-
- # Get the function.
- try:
- # NOE calculation.
- if function_type == 'noe':
- function = self.noe()
-
- # Relaxation curve fitting.
- if function_type == 'relax_fit':
- function = self.relax_fit()
-
- # Reduced spectral density mapping.
- if function_type == 'jw':
- function = self.jw_funcs()
-
- # Model-free analysis.
- if function_type == 'mf':
- function = self.mf_funcs()
-
- # Hybrid models.
- if function_type == 'hybrid':
- function = self.hybrid_funcs()
-
- # Catch all errors.
- except:
- 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: " + `self.eqi`
-
- # Raise the error.
- raise RelaxFuncSetupError, self.get_string(function_type)
-
- # Return the function.
- return function
-
-
- def hybrid_funcs(self):
- """Hybrid model specific functions."""
-
- # Duplicate data function.
- if self.eqi == 'duplicate_data':
- return self.relax.specific.hybrid.duplicate_data
-
- # Model statistics.
- if self.eqi == 'model_stats':
- return self.relax.specific.hybrid.model_statistics
-
- # Number of instances.
- if self.eqi == 'num_instances':
- return self.relax.specific.hybrid.num_instances
-
- # Skip function.
- if self.eqi == 'skip_function':
- return self.relax.specific.hybrid.skip_function
-
-
- def jw_funcs(self):
- """Reduced spectral density mapping specific functions."""
-
- # Calculate function.
- if self.eqi == 'calculate':
- return self.relax.specific.jw_mapping.calculate
-
- # Copy function.
- if self.eqi == 'copy':
- return self.relax.specific.jw_mapping.copy
-
- # Create Monte Carlo data function (same as data returning function).
- if self.eqi == 'create_mc_data':
- return self.relax.specific.jw_mapping.return_data
-
- # Number of instances.
- if self.eqi == 'num_instances':
- return self.relax.specific.jw_mapping.num_instances
-
- # Overfit deselect.
- if self.eqi == 'overfit_deselect':
- return self.relax.specific.jw_mapping.overfit_deselect
-
- # Pack Monte Carlo simulation data function.
- if self.eqi == 'pack_sim_data':
- return self.relax.specific.jw_mapping.sim_pack_data
-
- # Data returning function.
- if self.eqi == 'return_data':
- return self.relax.specific.jw_mapping.return_data
-
- # Data or parameter name returning function.
- if self.eqi == 'return_data_name':
- return self.relax.specific.jw_mapping.return_data_name
-
- # Factor of conversion between different parameter units returning
function.
- if self.eqi == 'return_conversion_factor':
- return self.relax.specific.jw_mapping.return_conversion_factor
-
- # Data error returning function.
- if self.eqi == 'return_error':
- return self.relax.specific.jw_mapping.return_error
-
- # Grace string returning function.
- if self.eqi == 'return_grace_string':
- return self.relax.specific.jw_mapping.return_grace_string
-
- # Simulation parameter array returning function.
- if self.eqi == 'return_sim_param':
- return self.relax.specific.jw_mapping.sim_return_param
-
- # Simulation parameter array returning function.
- if self.eqi == 'return_selected_sim':
- return self.relax.specific.jw_mapping.sim_return_selected
-
- # String of the external parameter units returning function.
- if self.eqi == 'return_units':
- return self.relax.specific.jw_mapping.return_units
-
- # Value and error returning function.
- if self.eqi == 'return_value':
- return self.relax.specific.jw_mapping.return_value
-
- # Set function.
- if self.eqi == 'set':
- return self.relax.specific.jw_mapping.set
-
- # Set error function.
- if self.eqi == 'set_error':
- return self.relax.specific.jw_mapping.set_error
-
- # Set error function.
- if self.eqi == 'set_selected_sim':
- return self.relax.specific.jw_mapping.set_selected_sim
-
- # Write results function (Columnar format).
- if self.eqi == 'write_columnar_results':
- return self.relax.specific.jw_mapping.write_columnar_results
-
-
- def mf_funcs(self):
- """Model-free analysis specific functions."""
-
- # Back-calculate function.
- if self.eqi == 'back_calc':
- return self.relax.specific.model_free.back_calc
-
- # Calculate function.
- if self.eqi == 'calculate':
- return self.relax.specific.model_free.calculate
-
- # Copy function.
- if self.eqi == 'copy':
- return self.relax.specific.model_free.copy
-
- # Create Monte Carlo data function.
- if self.eqi == 'create_mc_data':
- return self.relax.specific.model_free.create_mc_data
-
- # Duplicate data function.
- if self.eqi == 'duplicate_data':
- return self.relax.specific.model_free.duplicate_data
-
- # Eliminate models.
- if self.eqi == 'eliminate':
- return self.relax.specific.model_free.eliminate
-
- # Grid search function.
- if self.eqi == 'grid_search':
- return self.relax.specific.model_free.grid_search
-
- # Initial Monte Carlo parameter value search function.
- if self.eqi == 'init_sim_values':
- return self.relax.specific.model_free.sim_init_values
-
- # Map bounds function.
- if self.eqi == 'map_bounds':
- return self.relax.specific.model_free.map_bounds
-
- # Minimise function.
- if self.eqi == 'minimise':
- return self.relax.specific.model_free.minimise
-
- # Model statistics.
- if self.eqi == 'model_stats':
- return self.relax.specific.model_free.model_statistics
-
- # Molmol macro creation.
- if self.eqi == 'molmol_macro':
- return self.relax.specific.model_free.molmol.macro
-
- # Number of instances.
- if self.eqi == 'num_instances':
- return self.relax.specific.model_free.num_instances
-
- # Overfit deselect.
- if self.eqi == 'overfit_deselect':
- return self.relax.specific.model_free.overfit_deselect
-
- # Pack Monte Carlo simulation data function.
- if self.eqi == 'pack_sim_data':
- return self.relax.specific.model_free.sim_pack_data
-
- # Parameter names function.
- if self.eqi == 'param_names':
- return self.relax.specific.model_free.get_param_names
-
- # Parameter values function.
- if self.eqi == 'param_values':
- return self.relax.specific.model_free.get_param_values
-
- # Read results file function (Columnar format).
- if self.eqi == 'read_columnar_results':
- return self.relax.specific.model_free.read_columnar_results
-
- # Read results file function (XML format).
- #if self.eqi == 'read_xml_results':
- # return self.relax.specific.model_free.read_xml_results
-
- # Data returning function.
- if self.eqi == 'return_data':
- return self.relax.specific.model_free.return_data
-
- # Data or parameter name returning function.
- if self.eqi == 'return_data_name':
- return self.relax.specific.model_free.return_data_name
-
- # Data error returning function.
- if self.eqi == 'return_error':
- return self.relax.specific.model_free.return_error
-
- # Factor of conversion between different parameter units returning
function.
- if self.eqi == 'return_conversion_factor':
- return self.relax.specific.model_free.return_conversion_factor
-
- # Grace string returning function.
- if self.eqi == 'return_grace_string':
- return self.relax.specific.model_free.return_grace_string
-
- # Selected simulation array returning function.
- if self.eqi == 'return_selected_sim':
- return self.relax.specific.model_free.sim_return_selected
-
- # Simulation chi-squared array returning function.
- if self.eqi == 'return_sim_chi2':
- return self.relax.specific.model_free.sim_return_chi2
-
- # Simulation parameter array returning function.
- if self.eqi == 'return_sim_param':
- return self.relax.specific.model_free.sim_return_param
-
- # String of the external parameter units returning function.
- if self.eqi == 'return_units':
- return self.relax.specific.model_free.return_units
-
- # Value and error returning function.
- if self.eqi == 'return_value':
- return self.relax.specific.model_free.return_value
-
- # Set function.
- if self.eqi == 'set':
- return self.relax.specific.model_free.set
-
- # Set error function.
- if self.eqi == 'set_error':
- return self.relax.specific.model_free.set_error
-
- # Set the selected simulations array.
- if self.eqi == 'set_selected_sim':
- return self.relax.specific.model_free.set_selected_sim
-
- # Skip function.
- if self.eqi == 'skip_function':
- return self.relax.specific.model_free.skip_function
-
- # Unselect function.
- if self.eqi == 'unselect':
- return self.relax.specific.model_free.unselect
-
- # Write results function (Columnar format).
- if self.eqi == 'write_columnar_results':
- return self.relax.specific.model_free.write_columnar_results
-
- # Write results function (XML format).
- #if self.eqi == 'write_xml_results':
- # return self.relax.specific.model_free.write_xml_results
-
-
- def noe(self):
- """NOE calculation functions."""
-
- # Calculate function.
- if self.eqi == 'calculate':
- return self.relax.specific.noe.calculate
-
- # Overfit deselect.
- if self.eqi == 'overfit_deselect':
- return self.relax.specific.noe.overfit_deselect
-
- # Read results file function (Columnar format).
- if self.eqi == 'read_columnar_results':
- return self.relax.specific.noe.read_columnar_results
-
- # Factor of conversion between different parameter units returning
function.
- if self.eqi == 'return_conversion_factor':
- return self.relax.specific.noe.return_conversion_factor
-
- # Grace string returning function.
- if self.eqi == 'return_grace_string':
- return self.relax.specific.noe.return_grace_string
-
- # Value and error returning function.
- if self.eqi == 'return_value':
- return self.relax.specific.noe.return_value
-
- # String of the external parameter units returning function.
- if self.eqi == 'return_units':
- return self.relax.specific.noe.return_units
-
- # Write results function (Columnar format).
- if self.eqi == 'write_columnar_results':
- return self.relax.specific.noe.write_columnar_results
-
-
- def relax_fit(self):
- """Relaxation curve fitting functions."""
-
- # Create Monte Carlo data function.
- if self.eqi == 'create_mc_data':
- return self.relax.specific.relax_fit.create_mc_data
-
- # Grid search function.
- if self.eqi == 'grid_search':
- return self.relax.specific.relax_fit.grid_search
-
- # Initial Monte Carlo parameter value search function.
- if self.eqi == 'init_sim_values':
- return self.relax.specific.relax_fit.sim_init_values
-
- # Minimise function.
- if self.eqi == 'minimise':
- return self.relax.specific.relax_fit.minimise
-
- # Number of instances.
- if self.eqi == 'num_instances':
- return self.relax.specific.relax_fit.num_instances
-
- # Overfit deselect.
- if self.eqi == 'overfit_deselect':
- return self.relax.specific.relax_fit.overfit_deselect
-
- # Pack Monte Carlo simulation data function.
- if self.eqi == 'pack_sim_data':
- return self.relax.specific.relax_fit.sim_pack_data
-
- # Factor of conversion between different parameter units returning
function.
- if self.eqi == 'return_conversion_factor':
- return self.relax.specific.relax_fit.return_conversion_factor
-
- # Data returning function.
- if self.eqi == 'return_data':
- return self.relax.specific.relax_fit.return_data
-
- # Data or parameter name returning function.
- if self.eqi == 'return_data_name':
- return self.relax.specific.relax_fit.return_data_name
-
- # Data error returning function.
- if self.eqi == 'return_error':
- return self.relax.specific.relax_fit.return_error
-
- # Grace string returning function.
- if self.eqi == 'return_grace_string':
- return self.relax.specific.relax_fit.return_grace_string
-
- # Selected simulation array returning function.
- if self.eqi == 'return_selected_sim':
- return self.relax.specific.relax_fit.sim_return_selected
-
- # Simulation parameter array returning function.
- if self.eqi == 'return_sim_param':
- return self.relax.specific.relax_fit.sim_return_param
-
- # Value and error returning function.
- if self.eqi == 'return_value':
- return self.relax.specific.relax_fit.return_value
-
- # String of the external parameter units returning function.
- if self.eqi == 'return_units':
- return self.relax.specific.relax_fit.return_units
-
- # Set function.
- if self.eqi == 'set':
- return self.relax.specific.relax_fit.set
-
- # Set error function.
- if self.eqi == 'set_error':
- return self.relax.specific.relax_fit.set_error
-
- # Set the selected simulations array.
- if self.eqi == 'set_selected_sim':
- return self.relax.specific.relax_fit.set_selected_sim
r4162 - /1.3/specific_fns/__init__.py