Package prompt :: Module nuclei
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Source Code for Module prompt.nuclei

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2005 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 Nuclei:
27 - def __init__(self, relax):
28 """Class containing the function for setting the gyromagnetic ratio of the heteronucleus.""" 29 30 self.relax = relax
31 32
33 - def nuclei(self, heteronuc='N'):
34 """Function for setting the gyromagnetic ratio of the heteronucleus. 35 36 Keyword arguments 37 ~~~~~~~~~~~~~~~~~ 38 39 heteronuc: The type of heteronucleus. 40 41 42 Description 43 ~~~~~~~~~~~ 44 45 The heteronuc argument can be set to the following strings: 46 47 N: Nitrogen, -2.7126e7 48 C: Carbon, 2.2e7 49 """ 50 51 # Function intro text. 52 if self.relax.interpreter.intro: 53 text = sys.ps3 + "nuclei(" 54 text = text + "heteronuc=" + `heteronuc` + ")" 55 print text 56 57 # The heteronucleus argument. 58 if type(heteronuc) != str: 59 raise RelaxStrError, ('heteronucleus', heteronuc) 60 61 # Execute the functional code. 62 self.relax.generic.nuclei.set_values(heteronuc=heteronuc)
63