Source Code for Module generic_fns.temperature

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2008-2009 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           # 
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19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  # Module docstring. 
24  """Module for setting the experimental temperature.""" 
25   
26  # relax module imports. 
27  from generic_fns import pipes 
28  from relax_errors import RelaxError 
29   
30   
31 -def set(id=None, temp=None): 
32      """Set the experimental temperature. 
33   
34      @keyword id:    The experimental identification string (allowing for multiple experiments per 
35                      data pipe). 
36      @type id:       str 
37      @keyword temp:  The temperature in kelvin. 
38      @type temp:     float 
39      """ 
40   
41      # Test if the current data pipe exists. 
42      pipes.test() 
43   
44      # Set up the dictionary data structure if it doesn't exist yet. 
45      if not hasattr(cdp, 'temperature'): 
46          cdp.temperature = {} 
47   
48      # Test the temperature has not already been set. 
49      if id in cdp.temperature: 
50          raise RelaxError("The temperature for the experiment " + repr(id) + " has already been set.") 
51   
52      # Set the temperature. 
53      cdp.temperature[id] = float(temp) 
54