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1 ############################################################################### 2 # # 3 # Copyright (C) 2008-2012 Edward d'Auvergne # 4 # # 5 # This file is part of the program relax (http://www.nmr-relax.com). # 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 """Module for manipulating the spectrometer frequency of experiments.""" 24 25 # relax module imports. 26 from generic_fns import pipes 27 from relax_errors import RelaxError 28 2931 """Return a list of all the current frequencies. 32 33 @return: The frequency list for the current data pipe. 34 @rtype: list of float 35 """ 36 37 # No frequency data. 38 if not hasattr(cdp, 'frq'): 39 return [] 40 41 # The frequency values. 42 values = cdp.frq.values() 43 44 # Build a list of the unique frequencies. 45 frq = [] 46 for value in values: 47 if value not in frq: 48 frq.append(value) 49 50 # Return the frqs. 51 return frq52 5355 """Set the spectrometer frequency of the experiment. 56 57 @keyword id: The experimental identification string (allowing for multiple experiments per 58 data pipe). 59 @type id: str 60 @keyword frq: The spectrometer frequency in Hertz. 61 @type frq: float 62 """ 63 64 # Test if the current data pipe exists. 65 pipes.test() 66 67 # Set up the dictionary data structure if it doesn't exist yet. 68 if not hasattr(cdp, 'frq'): 69 cdp.frq = {} 70 71 # Test the frequency has not already been set. 72 if id in cdp.frq: 73 raise RelaxError("The frequency for the experiment " + repr(id) + " has already been set.") 74 75 # Set the frequency. 76 cdp.frq[id] = frq77
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