Source Code for Module generic_fns.eliminate

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2003-2005, 2007-2009 Edward d'Auvergne                        # 
  4  #                                                                             # 
  5  # This file is part of the program relax.                                     # 
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 21  ############################################################################### 
 22   
 23  # Module docstring. 
 24  """Module implementing the mathematical modelling step of model elimination.""" 
 25   
 26  # relax module imports. 
 27  from generic_fns import pipes 
 28  from relax_errors import RelaxError 
 29  from specific_fns.setup import get_specific_fn 
 30   
 31   
 32   
 33 -def eliminate(function=None, args=None): 
 34      """Model elimination. 
 35   
 36      @keyword function:  A user supplied function for model elimination.  This function should accept 
 37                          five arguments, a string defining a certain parameter, the value of the 
 38                          parameter, the minimisation instance (ie the residue index if the model 
 39                          is residue specific), and the function arguments.  If the model is rejected, 
 40                          the function should return True, otherwise it should return False.  The 
 41                          function will be executed multiple times, once for each parameter of the model.  
 42      @type function:     function 
 43      @param args:        The arguments to be passed to the user supplied function. 
 44      @type args:         tuple 
 45      """ 
 46   
 47      # Test if the current data pipe exists. 
 48      pipes.test() 
 49   
 50      # Specific eliminate, parameter names, parameter values, number of instances, and deselect function setup. 
 51      eliminate = get_specific_fn('eliminate', cdp.pipe_type) 
 52      model_loop = get_specific_fn('model_loop', cdp.pipe_type) 
 53      get_param_names = get_specific_fn('get_param_names', cdp.pipe_type) 
 54      get_param_values = get_specific_fn('get_param_values', cdp.pipe_type) 
 55      deselect = get_specific_fn('deselect', cdp.pipe_type) 
 56   
 57      # Determine if simulations are active. 
 58      if hasattr(cdp, 'sim_state') and cdp.sim_state == True: 
 59          sim_state = True 
 60      else: 
 61          sim_state = False 
 62   
 63   
 64      # Get the number of instances and loop over them. 
 65      for model_info in model_loop(): 
 66          # Model elimination. 
 67          #################### 
 68   
 69          if not sim_state: 
 70              # Get the parameter names and values. 
 71              names = get_param_names(model_info) 
 72              values = get_param_values(model_info) 
 73   
 74              # No data. 
 75              if names == None or values == None: 
 76                  continue 
 77   
 78              # Test that the names and values vectors are of equal length. 
 79              if len(names) != len(values): 
 80                  raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
 81   
 82              # Loop over the parameters. 
 83              flag = False 
 84              for j in xrange(len(names)): 
 85                  # Eliminate function. 
 86                  if eliminate(names[j], values[j], model_info, args): 
 87                      flag = True 
 88   
 89              # Deselect. 
 90              if flag: 
 91                  deselect(model_info) 
 92   
 93   
 94          # Simulation elimination. 
 95          ######################### 
 96   
 97          else: 
 98              # Loop over the simulations. 
 99              for j in xrange(cdp.sim_number): 
100                  # Get the parameter names and values. 
101                  names = get_param_names(model_info) 
102                  values = get_param_values(model_info, sim_index=j) 
103   
104                  # No data. 
105                  if names == None or values == None: 
106                      continue 
107   
108                  # Test that the names and values vectors are of equal length. 
109                  if len(names) != len(values): 
110                      raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
111   
112                  # Loop over the parameters. 
113                  flag = False 
114                  for k in xrange(len(names)): 
115                      # Eliminate function. 
116                      if eliminate(names[k], values[k], model_info, args, sim=j): 
117                          flag = True 
118   
119                  # Deselect. 
120                  if flag: 
121                      deselect(model_info, sim_index=j) 
122