Source Code for Module pipe_control.eliminate

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2003-2014 Edward d'Auvergne                                   # 
  4  #                                                                             # 
  5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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 10  # (at your option) any later version.                                         # 
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 12  # This program is distributed in the hope that it will be useful,             # 
 13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
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 15  # GNU General Public License for more details.                                # 
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 18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
 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.api import return_api 
 29   
 30   
 31 -def eliminate(function=None, args=None): 
 32      """Model elimination. 
 33   
 34      @keyword function:  A user supplied function for model elimination.  This function should accept 
 35                          five arguments, a string defining a certain parameter, the value of the 
 36                          parameter, the minimisation instance (ie the residue index if the model 
 37                          is residue specific), and the function arguments.  If the model is rejected, 
 38                          the function should return True, otherwise it should return False.  The 
 39                          function will be executed multiple times, once for each parameter of the model.  
 40      @type function:     function 
 41      @param args:        The arguments to be passed to the user supplied function. 
 42      @type args:         tuple 
 43      """ 
 44   
 45      # Test if the current data pipe exists. 
 46      pipes.test() 
 47   
 48      # The specific analysis API object. 
 49      api = return_api() 
 50   
 51      # Determine if simulations are active. 
 52      if hasattr(cdp, 'sim_state') and cdp.sim_state == True: 
 53          sim_state = True 
 54      else: 
 55          sim_state = False 
 56   
 57   
 58      # Get the number of instances and loop over them. 
 59      for model_info in api.model_loop(): 
 60          # Model elimination. 
 61          #################### 
 62   
 63          if not sim_state: 
 64              # Get the parameter names and values. 
 65              names = api.get_param_names(model_info) 
 66              values = api.get_param_values(model_info) 
 67   
 68              # No data. 
 69              if names == None or values == None: 
 70                  continue 
 71   
 72              # Test that the names and values vectors are of equal length. 
 73              if len(names) != len(values): 
 74                  raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
 75   
 76              # Loop over the parameters. 
 77              flag = False 
 78              for j in range(len(names)): 
 79                  # Eliminate function. 
 80                  if api.eliminate(names[j], values[j], model_info, args): 
 81                      flag = True 
 82   
 83              # Deselect. 
 84              if flag: 
 85                  api.deselect(model_info) 
 86   
 87   
 88          # Simulation elimination. 
 89          ######################### 
 90   
 91          else: 
 92              # Loop over the simulations. 
 93              for j in range(cdp.sim_number): 
 94                  # Get the parameter names and values. 
 95                  names = api.get_param_names(model_info) 
 96                  values = api.get_param_values(model_info, sim_index=j) 
 97   
 98                  # No data. 
 99                  if names == None or values == None: 
100                      continue 
101   
102                  # Test that the names and values vectors are of equal length. 
103                  if len(names) != len(values): 
104                      raise RelaxError("The names vector " + repr(names) + " is of a different length to the values vector " + repr(values) + ".") 
105   
106                  # Loop over the parameters. 
107                  flag = False 
108                  for k in range(len(names)): 
109                      # Eliminate function. 
110                      if api.eliminate(names[k], values[k], model_info, args, sim=j): 
111                          flag = True 
112   
113                  # Deselect. 
114                  if flag: 
115                      api.deselect(model_info, sim_index=j) 
116