Source Code for Module generic_fns.runs

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2004, 2006 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 Runs: 
 27 -    def __init__(self, relax): 
 28          """Class containing the function for creating a run.""" 
 29   
 30          self.relax = relax 
 31   
 32   
 33 -    def create(self, run=None, run_type=None): 
 34          """Function for creating a run.""" 
 35   
 36          # Test if the run already exists. 
 37          if run in self.relax.data.run_names: 
 38              raise RelaxRunError, run 
 39   
 40          # List of valid run types. 
 41          valid = ['ct', 'jw', 'mf', 'noe', 'relax_fit', 'srls'] 
 42   
 43          # Test if run_type is valid. 
 44          if not run_type in valid: 
 45              raise RelaxError, "The run type name " + `run_type` + " is invalid and must be one of the strings in the list " + `valid` + "." 
 46   
 47          # Test that the C modules have been loaded. 
 48          if run_type == 'relax_fit' and not C_module_exp_fn: 
 49              raise RelaxError, "Relaxation curve fitting is not availible.  Try compiling the C modules on your platform." 
 50   
 51          # Add the run and type. 
 52          self.relax.data.run_names.append(run) 
 53          self.relax.data.run_types.append(run_type) 
 54   
 55   
 56 -    def delete(self, run=None): 
 57          """Function for deleting a run.""" 
 58   
 59          # Test if the run exists. 
 60          if run != None and not run in self.relax.data.run_names: 
 61              raise RelaxNoRunError, run 
 62   
 63          # Find out if any data in 'self.relax.data' is assigned to a run. 
 64          for name in dir(self.relax.data): 
 65              # Get the object. 
 66              object = getattr(self.relax.data, name) 
 67   
 68              # Skip to the next data structure if the object is not a dictionary. 
 69              if not hasattr(object, 'keys'): 
 70                  continue 
 71   
 72              # Delete the data if the object contains the key 'run'. 
 73              if object.has_key(run): 
 74                  del(object[run]) 
 75   
 76          # Clean up the runs, ie delete any runs for which there is no data left. 
 77          self.eliminate_unused_runs() 
 78   
 79   
 80 -    def eliminate_unused_runs(self): 
 81          """Function for eliminating any runs for which there is no data.""" 
 82   
 83          # An array of runs to retain. 
 84          keep_runs = [] 
 85   
 86          # Find out if any data in 'self.relax.data' is assigned to a run. 
 87          for name in dir(self.relax.data): 
 88              # Skip to the next data structure if the object is not a dictionary. 
 89              object = getattr(self.relax.data, name) 
 90              if not hasattr(object, 'keys'): 
 91                  continue 
 92   
 93              # Add the keys to 'keep_runs'. 
 94              for key in object.keys(): 
 95                  if not key in keep_runs: 
 96                      keep_runs.append(key) 
 97   
 98          # Delete the runs in 'self.relax.data.run_names' and 'self.relax.data.run_types' which are not in 'keep_runs'. 
 99          for run in self.relax.data.run_names: 
100              if not run in keep_runs: 
101                  # Index. 
102                  index = self.relax.data.run_names.index(run) 
103   
104                  # Remove from run_names. 
105                  self.relax.data.run_names.remove(run) 
106   
107                  # Remove from run_types. 
108                  temp = self.relax.data.run_types.pop(index) 
109   
110   
111 -    def list_of_runs(self, run): 
112          """Function for creating a list of runs.""" 
113   
114          # All runs. 
115          if run == None: 
116              runs = deepcopy(self.relax.data.run_names) 
117   
118          # Single run. 
119          elif type(run) == str: 
120              runs = [run] 
121   
122          # List of runs. 
123          else: 
124              runs = run 
125   
126          # Return the list. 
127          return runs 
128