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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 setting the experimental temperature.""" 24 25 # relax module imports. 26 from generic_fns import pipes 27 from relax_errors import RelaxError 28 2931 """Set the experimental temperature. 32 33 @keyword id: The experimental identification string (allowing for multiple experiments per data pipe). 34 @type id: str 35 @keyword temp: The temperature in kelvin. 36 @type temp: float 37 """ 38 39 # Test if the current data pipe exists. 40 pipes.test() 41 42 # Set up the dictionary data structure if it doesn't exist yet. 43 if not hasattr(cdp, 'temperature'): 44 cdp.temperature = {} 45 46 # Convert to a float. 47 temp = float(temp) 48 49 # Test the temperature has not already been set. 50 if id in cdp.temperature and cdp.temperature[id] != temp: 51 raise RelaxError("The temperature for the experiment '%s' has already been set to %s K." % (id, cdp.temperature[id])) 52 53 # Set the temperature. 54 cdp.temperature[id] = temp55
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