Source Code for Module prompt.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  import sys 
 24   
 25  from specific_fns.model_free import Model_free 
 26   
 27   
 28 -class Eliminate: 
 29 -    def __init__(self, relax): 
 30          """Class containing the function for model elimination.""" 
 31   
 32          self.relax = relax 
 33   
 34   
 35 -    def eliminate(self, run=None, function=None, args=None): 
 36          """Function for model elimination. 
 37   
 38          Keyword arguments 
 39          ~~~~~~~~~~~~~~~~~ 
 40   
 41          run:  The name of the run(s).  By supplying a single string, array of strings, or None, a 
 42          single run, multiple runs, or all runs will be selected respectively. 
 43   
 44          function:  A user supplied function for model elimination. 
 45   
 46          args:  A tuple of arguments for model elimination. 
 47   
 48   
 49          Description 
 50          ~~~~~~~~~~~ 
 51   
 52          This function is used for model validation to eliminate or reject models prior to model 
 53          selection.  Model validation is a part of mathematical modelling whereby models are either 
 54          accepted or rejected. 
 55   
 56          Empirical rules are used for model rejection and are listed below.  However these can be 
 57          overridden by supplying a function.  The function should accept five arguments, a string 
 58          defining a certain parameter, the value of the parameter, the run name, the minimisation 
 59          instance (ie the residue index if the model is residue specific), and the function 
 60          arguments.  If the model is rejected, the function should return 1, otherwise it should 
 61          return 0.  The function will be executed multiple times, once for each parameter of the 
 62          model. 
 63   
 64          The 'args' keyword argument should be a tuple, a list enclosed in round brackets, and will 
 65          be passed to the user supplied function or the inbuilt function.  For a description of the 
 66          arguments accepted by the inbuilt functions, see below. 
 67   
 68          Once a model is rejected, the select flag corresponding to that model will be set to 0 so 
 69          that model selection, or any other function, will then skip the model. 
 70          """ 
 71   
 72          # Function intro text. 
 73          if self.relax.interpreter.intro: 
 74              text = sys.ps3 + "eliminate(" 
 75              text = text + "run=" + `run` 
 76              text = text + ", function=" + `function` 
 77              text = text + ", args=" + `args` + ")" 
 78              print text 
 79   
 80          # The run argument. 
 81          if run != None and type(run) != str and type(run) != list: 
 82              raise RelaxNoneStrListError, ('run', run) 
 83          if type(run) == list: 
 84              for i in xrange(len(run)): 
 85                  if type(run[i]) != str: 
 86                      raise RelaxListStrError, ('run', run) 
 87   
 88          # User supplied function. 
 89          if function != None and type(function) != FunctionType: 
 90              raise RelaxFunctionError, ('function', function) 
 91   
 92          # Function arguments. 
 93          if args != None and type(args) != tuple: 
 94              raise RelaxNoneTupleError, ('args', args) 
 95   
 96          # Execute the functional code. 
 97          self.relax.generic.eliminate.eliminate(run=run, function=function, args=args) 
 98   
 99   
100      # Docstring modification. 
101      ######################### 
102   
103      eliminate.__doc__ = eliminate.__doc__ + "\n\n" + Model_free.eliminate.__doc__ + "\n" 
104