Source Code for Module generic_fns.eliminate

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003, 2004 Edward d'Auvergne                                  # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
 6  #                                                                             # 
 7  # relax is free software; you can redistribute it and/or modify               # 
 8  # it under the terms of the GNU General Public License as published by        # 
 9  # the Free Software Foundation; either version 2 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # relax is distributed in the hope that it will be useful,                    # 
13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
15  # GNU General Public License for more details.                                # 
16  #                                                                             # 
17  # You should have received a copy of the GNU General Public License           # 
18  # along with relax; if not, write to the Free Software                        # 
19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  from copy import deepcopy 
24   
25   
26 -class Eliminate: 
27 -    def __init__(self, relax): 
28          """Class containing the function for model elimination.""" 
29   
30          self.relax = relax 
31   
32   
33 -    def eliminate(self, run=None, function=None, args=None): 
34          """Function for model elimination.""" 
35   
36          # Create the list of runs. 
37          self.runs = self.relax.generic.runs.list_of_runs(run) 
38   
39          # Loop over the runs. 
40          for self.run in self.runs: 
41              # Test if the run exists. 
42              if not self.run in self.relax.data.run_names: 
43                  raise RelaxNoRunError, self.run 
44   
45              # Function type. 
46              function_type = self.relax.data.run_types[self.relax.data.run_names.index(self.run)] 
47   
48              # Specific eliminate, parameter names, parameter values, number of instances, and unselect function setup. 
49              eliminate = self.relax.specific_setup.setup('eliminate', function_type) 
50              param_names = self.relax.specific_setup.setup('param_names', function_type) 
51              param_values = self.relax.specific_setup.setup('param_values', function_type) 
52              num_instances = self.relax.specific_setup.setup('num_instances', function_type) 
53              unselect = self.relax.specific_setup.setup('unselect', function_type) 
54   
55              # Get the number of instances and loop over them. 
56              for i in xrange(num_instances(self.run)): 
57                  # Get the parameter names and values. 
58                  names = param_names(self.run, i) 
59                  values = param_values(self.run, i) 
60   
61                  # No data. 
62                  if names == None or values == None: 
63                      continue 
64   
65                  # Test that the names and values vectors are of equal length. 
66                  if len(names) != len(values): 
67                      raise RelaxError, "The names vector " + `names` + " is of a different length to the values vector " + `values` + "." 
68   
69                  # Loop over the parameters. 
70                  flag = 0 
71                  for j in xrange(len(names)): 
72                      # Eliminate function. 
73                      if eliminate(names[j], values[j], self.run, i, args): 
74                          flag = 1 
75   
76                  # Unselect. 
77                  if flag: 
78                      unselect(self.run, i) 
79