Source Code for Module generic_fns.results

  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   
 26 -class Results: 
 27 -    def __init__(self, relax): 
 28          """Class containing functions for reading and writing data.""" 
 29   
 30          self.relax = relax 
 31   
 32   
 33 -    def copy(self, run1=None, run2=None, sim=None): 
 34          """Function for copying all results from run1 to run2.""" 
 35   
 36          # Test if run1 exists. 
 37          if not run1 in self.relax.data.run_names: 
 38              raise RelaxNoRunError, run1 
 39   
 40          # Test if run2 exists. 
 41          if not run2 in self.relax.data.run_names: 
 42              raise RelaxNoRunError, run2 
 43   
 44          # Function type. 
 45          function_type = self.relax.data.run_types[self.relax.data.run_names.index(run1)] 
 46   
 47          # Copy function. 
 48          copy = self.relax.specific_setup.setup('copy', function_type, raise_error=0) 
 49   
 50          # Copy the results. 
 51          copy(run1=run1, run2=run2, sim=sim) 
 52   
 53   
 54 -    def display(self, run=None, format='columnar'): 
 55          """Function for displaying the results.""" 
 56   
 57          # Test if the run exists. 
 58          if not run in self.relax.data.run_names: 
 59              raise RelaxNoRunError, run 
 60   
 61          # Function type. 
 62          function_type = self.relax.data.run_types[self.relax.data.run_names.index(run)] 
 63   
 64          # Specific results writing function. 
 65          if format == 'xml': 
 66              format = 'XML' 
 67              self.write_function = self.relax.specific_setup.setup('write_xml_results', function_type, raise_error=0) 
 68          elif format == 'columnar': 
 69              self.write_function = self.relax.specific_setup.setup('write_columnar_results', function_type, raise_error=0) 
 70          else: 
 71              raise RelaxError, "Unknown format " + `format` + "." 
 72   
 73          # No function. 
 74          if not self.write_function: 
 75              raise RelaxError, "The " + format + " format is not currently supported for " + self.relax.specific_setup.get_string(function_type) + "." 
 76   
 77          # Write the results. 
 78          self.write_function(sys.stdout, run) 
 79   
 80   
 81 -    def read(self, run=None, file='results', directory=None, file_data=None, format='columnar', print_flag=1): 
 82          """Function for reading the data out of a file.""" 
 83   
 84          # Test if the run exists. 
 85          if not run in self.relax.data.run_names: 
 86              raise RelaxNoRunError, run 
 87   
 88          # Function type. 
 89          function_type = self.relax.data.run_types[self.relax.data.run_names.index(run)] 
 90   
 91          # Equation type specific function setup. 
 92          if format == 'xml': 
 93              format = 'XML' 
 94              self.read_function = self.relax.specific_setup.setup('read_xml_results', function_type) 
 95          elif format == 'columnar': 
 96              self.read_function = self.relax.specific_setup.setup('read_columnar_results', function_type) 
 97          else: 
 98              raise RelaxError, "Unknown format " + `format` + "." 
 99   
100          # No function. 
101          if not self.read_function: 
102              raise RelaxError, "The " + format + " format is not currently supported for " + self.relax.specific_setup.get_string(function_type) + "." 
103   
104          # The directory. 
105          if directory == 'run': 
106              directory = run 
107   
108          # Make sure that there are no data structures corresponding to the run. 
109          for data_name in dir(self.relax.data): 
110              # Get the object. 
111              data = getattr(self.relax.data, data_name) 
112   
113              # Skip the data if it is not a dictionary (or equivalent). 
114              if not hasattr(data, 'has_key'): 
115                  continue 
116   
117              # Skip the data if it doesn't contain the key 'old_run'. 
118              if data.has_key(run): 
119                  raise RelaxError, "Data corresponding to the run " + `run` + " exists." 
120   
121          # Extract the data from the file. 
122          file_data = self.relax.IO.extract_data(file_name=file, dir=directory, file_data=file_data) 
123   
124          # Strip data. 
125          file_data = self.relax.IO.strip(file_data) 
126   
127          # Do nothing if the file does not exist. 
128          if not file_data: 
129              raise RelaxFileEmptyError 
130   
131          # Read the results. 
132          self.read_function(run, file_data, print_flag) 
133   
134   
135 -    def write(self, run=None, file="results", directory=None, force=0, format='columnar', compress_type=1, print_flag=1): 
136          """Create the results file.""" 
137   
138          # Test if the run exists. 
139          if not run in self.relax.data.run_names: 
140              raise RelaxNoRunError, run 
141   
142          # The directory. 
143          if directory == 'run': 
144              directory = run 
145   
146          # Function type. 
147          function_type = self.relax.data.run_types[self.relax.data.run_names.index(run)] 
148   
149          # Specific results writing function. 
150          if format == 'xml': 
151              format = 'XML' 
152              self.write_function = self.relax.specific_setup.setup('write_xml_results', function_type, raise_error=0) 
153          elif format == 'columnar': 
154              self.write_function = self.relax.specific_setup.setup('write_columnar_results', function_type, raise_error=0) 
155          else: 
156              raise RelaxError, "Unknown format " + `format` + "." 
157   
158          # No function. 
159          if not self.write_function: 
160              raise RelaxError, "The " + format + " format is not currently supported for " + self.relax.specific_setup.get_string(function_type) + "." 
161   
162          # Open the file for writing. 
163          results_file = self.relax.IO.open_write_file(file_name=file, dir=directory, force=force, compress_type=compress_type, print_flag=print_flag) 
164   
165          # Write the results. 
166          self.write_function(results_file, run) 
167   
168          # Close the results file. 
169          results_file.close() 
170