Source Code for Module bmrblib.nmr_star_dict

 1  ############################################################################# 
 2  #                                                                           # 
 3  # The BMRB library.                                                         # 
 4  #                                                                           # 
 5  # Copyright (C) 2009-2011 Edward d'Auvergne                                 # 
 6  #                                                                           # 
 7  # This program 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 3 of the License, or         # 
10  # (at your option) any later version.                                       # 
11  #                                                                           # 
12  # This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.     # 
19  #                                                                           # 
20  ############################################################################# 
21   
22  # Module docstring. 
23  """The base classes for the NMR-STAR dictionary support within relax. 
24   
25  The most up to date NMR-STAR dictionary relax uses is the v3.1 version documented at 
26  http://www.bmrb.wisc.edu/dictionary/3.1html/SuperGroupPage.html. 
27  """ 
28   
29  # relax module imports. 
30  from bmrblib.pystarlib.File import File 
31   
32   
33 -class NMR_STAR: 
34      """The base object for the NMR-STAR dictionary.""" 
35   
36      # Class extension string. 
37      ext = '' 
38   
39   
40 -    def __init__(self, title, file_path): 
41          """Initialise the NMR-STAR dictionary object. 
42   
43          @param title:       The title of the NMR-STAR data. 
44          @type title:        str 
45          @param file_path:   The full file path. 
46          @type file_path:    str 
47          """ 
48   
49          # Initialise the pystarlib File object. 
50          self.data = File(title=title, filename=file_path) 
51   
52          # Create the class objects. 
53          self.create_saveframes() 
54   
55   
56 -    def read(self): 
57          """Read the data from a BMRB NMR-STAR formatted file.""" 
58   
59          # Read the contents of the STAR formatted file. 
60          self.data.read() 
61   
62   
63 -    def write(self): 
64          """Write the data to a BMRB NMR-STAR formatted file.""" 
65   
66          # Write the contents to the STAR formatted file. 
67          self.data.write() 
68