Source Code for Module pipe_control.eliminate

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2003-2013 Edward d'Auvergne                                   # 
  4  #                                                                             # 
  5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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 19  #                                                                             # 
 20  ############################################################################### 
 21   
 22  # Module docstring. 
 23  """Module implementing the mathematical modelling step of model elimination.""" 
 24   
 25  # relax module imports. 
 26  from lib.errors import RelaxError 
 27  from pipe_control import pipes 
 28  from specific_analyses.setup import get_specific_fn 
 29   
 30   
 31   
 32 -def eliminate(function=None, args=None): 
 33      """Model elimination. 
 34   
 35      @keyword function:  A user supplied function for model elimination.  This function should accept 
 36                          five arguments, a string defining a certain parameter, the value of the 
 37                          parameter, the minimisation instance (ie the residue index if the model 
 38                          is residue specific), and the function arguments.  If the model is rejected, 
 39                          the function should return True, otherwise it should return False.  The 
 40                          function will be executed multiple times, once for each parameter of the model.  
 41      @type function:     function 
 42      @param args:        The arguments to be passed to the user supplied function. 
 43      @type args:         tuple 
 44      """ 
 45   
 46      # Test if the current data pipe exists. 
 47      pipes.test() 
 48   
 49      # Specific eliminate, parameter names, parameter values, number of instances, and deselect function setup. 
 50      eliminate = get_specific_fn('eliminate', cdp.pipe_type) 
 51      model_loop = get_specific_fn('model_loop', cdp.pipe_type) 
 52      get_param_names = get_specific_fn('get_param_names', cdp.pipe_type) 
 53      get_param_values = get_specific_fn('get_param_values', cdp.pipe_type) 
 54      deselect = get_specific_fn('deselect', cdp.pipe_type) 
 55   
 56      # Determine if simulations are active. 
 57      if hasattr(cdp, 'sim_state') and cdp.sim_state == True: 
 58          sim_state = True 
 59      else: 
 60          sim_state = False 
 61   
 62   
 63      # Get the number of instances and loop over them. 
 64      for model_info in model_loop(): 
 65          # Model elimination. 
 66          #################### 
 67   
 68          if not sim_state: 
 69              # Get the parameter names and values. 
 70              names = get_param_names(model_info) 
 71              values = get_param_values(model_info) 
 72   
 73              # No data. 
 74              if names == None or values == None: 
 75                  continue 
 76   
 77              # Test that the names and values vectors are of equal length. 
 78              if len(names) != len(values): 
 79                  raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
 80   
 81              # Loop over the parameters. 
 82              flag = False 
 83              for j in range(len(names)): 
 84                  # Eliminate function. 
 85                  if eliminate(names[j], values[j], model_info, args): 
 86                      flag = True 
 87   
 88              # Deselect. 
 89              if flag: 
 90                  deselect(model_info) 
 91   
 92   
 93          # Simulation elimination. 
 94          ######################### 
 95   
 96          else: 
 97              # Loop over the simulations. 
 98              for j in range(cdp.sim_number): 
 99                  # Get the parameter names and values. 
100                  names = get_param_names(model_info) 
101                  values = get_param_values(model_info, sim_index=j) 
102   
103                  # No data. 
104                  if names == None or values == None: 
105                      continue 
106   
107                  # Test that the names and values vectors are of equal length. 
108                  if len(names) != len(values): 
109                      raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
110   
111                  # Loop over the parameters. 
112                  flag = False 
113                  for k in range(len(names)): 
114                      # Eliminate function. 
115                      if eliminate(names[k], values[k], model_info, args, sim=j): 
116                          flag = True 
117   
118                  # Deselect. 
119                  if flag: 
120                      deselect(model_info, sim_index=j) 
121