Source Code for Module prompt.vmd

 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  import help 
26   
27   
28 -class Vmd: 
29 -    def __init__(self, relax): 
30          # Help. 
31          self.__relax_help__ = \ 
32          """Class for interfacing with VMD.""" 
33   
34          # Add the generic help string. 
35          self.__relax_help__ = self.__relax_help__ + "\n" + help.relax_class_help 
36   
37          # Place relax in the class namespace. 
38          self.__relax__ = relax 
39   
40   
41 -    def view(self, run=None): 
42          """Function for viewing the collection of molecules extracted from the PDB file. 
43   
44          Keyword Arguments 
45          ~~~~~~~~~~~~~~~~~ 
46   
47          run:  The name of the run which the PDB belongs to. 
48   
49   
50          Example 
51          ~~~~~~~ 
52   
53          relax> vmd.view('m1') 
54          relax> vmd.view(run='pdb') 
55          """ 
56   
57          # Function intro text. 
58          if self.__relax__.interpreter.intro: 
59              text = sys.ps3 + "vmd.view(" 
60              text = text + "run=" + `run` + ")" 
61              print text 
62   
63          # The run argument. 
64          if type(run) != str: 
65              raise RelaxStrError, ('run', run) 
66   
67          # Execute the functional code. 
68          self.__relax__.generic.vmd.view(run=run) 
69