Package user_functions :: Module results'
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Source Code for Module user_functions.results'

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2003-2012 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               # 
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 11  #                                                                             # 
 12  # relax 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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 19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
 20  #                                                                             # 
 21  ############################################################################### 
 22   
 23  # Module docstring. 
 24  """The results user function definitions.""" 
 25   
 26  # Python module imports. 
 27  import wx 
 28   
 29  # relax module imports. 
 30  from generic_fns import results 
 31  from graphics import WIZARD_IMAGE_PATH 
 32  from user_functions.data import Uf_info; uf_info = Uf_info() 
 33  from user_functions.objects import Desc_container 
 34   
 35   
 36  # The user function class. 
 37  uf_class = uf_info.add_class('results') 
 38  uf_class.title = "Class for manipulating results." 
 39  uf_class.menu_text = "&results" 
 40  uf_class.gui_icon = "relax.relax" 
 41   
 42   
 43  # The results.display user function. 
 44  uf = uf_info.add_uf('results.display') 
 45  uf.title = "Display the results." 
 46  uf.title_short = "Results display." 
 47  uf.display = True 
 48  # Description. 
 49  uf.desc.append(Desc_container()) 
 50  uf.desc[-1].add_paragraph("This will print to screen (STDOUT) the results contained within the current data pipe.") 
 51  uf.backend = results.display 
 52  uf.menu_text = "&display" 
 53  uf.gui_icon = "oxygen.actions.document-preview" 
 54  uf.wizard_size = (600, 300) 
 55  uf.wizard_apply_button = False 
 56   
 57   
 58  # The results.read user function. 
 59  uf = uf_info.add_uf('results.read') 
 60  uf.title = "Read the contents of a relax results file into the relax data store." 
 61  uf.title_short = "Results reading." 
 62  uf.add_keyarg( 
 63      name = "file", 
 64      default = "results", 
 65      py_type = "str", 
 66      arg_type = "file sel", 
 67      desc_short = "file name", 
 68      desc = "The name of the file to read results from.", 
 69      wiz_filesel_wildcard = "relax results files (*.bz2)|*.bz2|relax results files (*.gz)|*.gz|relax results files (*.*)|*.*", 
 70      wiz_filesel_style = wx.FD_OPEN 
 71  ) 
 72  uf.add_keyarg( 
 73      name = "dir", 
 74      py_type = "str", 
 75      arg_type = "dir", 
 76      desc_short = "directory name", 
 77      desc = "The directory where the file is located.", 
 78      can_be_none = True 
 79  ) 
 80  # Description. 
 81  uf.desc.append(Desc_container()) 
 82  uf.desc[-1].add_paragraph("This is able to handle uncompressed, bzip2 compressed files, or gzip compressed files automatically.  The full file name including extension can be supplied, however, if the file cannot be found the file with '.bz2' appended followed by the file name with '.gz' appended will be searched for.") 
 83  uf.backend = results.read 
 84  uf.menu_text = "&read" 
 85  uf.gui_icon = "oxygen.actions.document-open" 
 86  uf.wizard_size = (700, 500) 
 87  uf.wizard_apply_button = False 
 88   
 89   
 90  # The results.write user function. 
 91  uf = uf_info.add_uf('results.write') 
 92  uf.title = "Write the results to a file." 
 93  uf.title_short = "Results writing." 
 94  uf.add_keyarg( 
 95      name = "file", 
 96      default = "results", 
 97      py_type = "str_or_inst", 
 98      arg_type = "file sel", 
 99      desc_short = "file name", 
100      desc = "The name of the file to output results to.  The default is 'results'.  Optionally this can be a file object, or any object with a write() method.", 
101      wiz_filesel_wildcard = "relax results files (*.bz2)|*.bz2|relax results files (*.gz)|*.gz|relax results files (*.*)|*.*", 
102      wiz_filesel_style = wx.FD_SAVE 
103  ) 
104  uf.add_keyarg( 
105      name = "dir", 
106      default = "pipe_name", 
107      py_type = "str", 
108      arg_type = "dir", 
109      desc_short = "directory name", 
110      desc = "The directory name.", 
111      can_be_none = True 
112  ) 
113  uf.add_keyarg( 
114      name = "compress_type", 
115      default = 1, 
116      py_type = "int", 
117      desc_short = "compression type", 
118      desc = "The type of compression to use when creating the file.", 
119      wiz_element_type = "combo", 
120      wiz_combo_choices = [ 
121          "No compression", 
122          "bzip2 compression", 
123          "gzip compression" 
124      ], 
125      wiz_combo_data = [ 
126          0, 
127          1, 
128          2 
129      ], 
130      wiz_read_only = True, 
131  ) 
132  uf.add_keyarg( 
133      name = "force", 
134      default = False, 
135      py_type = "bool", 
136      desc_short = "force flag", 
137      desc = "A flag which if True will cause the results file to be overwritten." 
138  ) 
139  # Description. 
140  uf.desc.append(Desc_container()) 
141  uf.desc[-1].add_paragraph("This will write the entire contents of the current data pipe into an XML formatted file.  This results file can then be read back into relax at a later point in time, or transfered to another machine.  This is in contrast to the state.save user function whereby the entire data store, including all data pipes, are saved into a similarly XML formatted file.") 
142  uf.desc[-1].add_paragraph("To place the results file in the current working directory in the prompt and scripting modes, leave the directory unset.  If the directory is set to the special name 'pipe_name', then the results file will be placed into a directory with the same name as the current data pipe.") 
143  uf.desc[-1].add_paragraph("The default behaviour of this function is to compress the file using bzip2 compression.  If the extension '.bz2' is not included in the file name, it will be added.  The compression can, however, be changed to either no compression or gzip compression.  This is controlled by the compression type which can be set to") 
144  uf.desc[-1].add_item_list_element("0", "No compression (no file extension),") 
145  uf.desc[-1].add_item_list_element("1", "bzip2 compression ('.bz2' file extension),") 
146  uf.desc[-1].add_item_list_element("2", "gzip compression ('.gz' file extension).") 
147  uf.desc[-1].add_paragraph("The complementary read function will automatically handle the compressed files.") 
148  uf.backend = results.write 
149  uf.menu_text = "&write" 
150  uf.gui_icon = "oxygen.actions.document-save" 
151  uf.wizard_height_desc = 450 
152  uf.wizard_size = (1000, 750) 
153  uf.wizard_apply_button = False 
154