r7130 - /branches/rdc_analysis/prompt/temperature.py -- August 11, 2008 - 11:58

Author: bugman
Date: Mon Aug 11 11:41:08 2008
New Revision: 7130

URL: http://svn.gna.org/viewcvs/relax?rev=7130&view=rev
Log:
Added the user function interface for setting the experimental temperature.


Added:
    branches/rdc_analysis/prompt/temperature.py

Added: branches/rdc_analysis/prompt/temperature.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/prompt/temperature.py?rev=7130&view=auto
==============================================================================
--- branches/rdc_analysis/prompt/temperature.py (added)
+++ branches/rdc_analysis/prompt/temperature.py Mon Aug 11 11:41:08 2008
@@ -1,0 +1,75 @@
+###############################################################################
+#                                                                            
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+# Copyright (C) 2008 Edward d'Auvergne                                       
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+#                                                                            
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+# This file is part of the program relax.                                    
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+#                                                                            
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+# relax is free software; you can redistribute it and/or modify              
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+# it under the terms of the GNU General Public License as published by       
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+# the Free Software Foundation; either version 2 of the License, or          
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+# (at your option) any later version.                                        
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+#                                                                            
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+# relax is distributed in the hope that it will be useful,                   
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+# but WITHOUT ANY WARRANTY; without even the implied warranty of             
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+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
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+# GNU General Public License for more details.                               
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+#                                                                            
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+# You should have received a copy of the GNU General Public License          
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+# along with relax; if not, write to the Free Software                       
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+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
+#                                                                            
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+###############################################################################
+
+# Module docstring.
+"""User functions for specifying experimental temperatures."""
+
+# Python module imports.
+import sys
+
+# relax module imports.
+from generic_fns import temperature
+from relax_errors import RelaxFloatError, RelaxNoneStrError
+
+
+class Temp:
+    def __init__(self, relax):
+        """Class containing the function for setting the experimental 
temperature."""
+
+        self.relax = relax
+
+
+    def set(self, id=None, temp=None):
+        """Specify the temperature of an experiment.
+
+        Keyword arguments
+        ~~~~~~~~~~~~~~~~~
+
+        id:  The experiment identification string.
+
+        temp:  The temperature of the experiment.
+
+
+        Description
+        ~~~~~~~~~~~
+
+        This function allows the temperature of an experiment to be set.  In 
certain analyses, for
+        example those which use pseudocontact shift data, knowledge of the 
temperature is essential.
+        """
+
+        # Function intro text.
+        if self.relax.interpreter.intro:
+            text = sys.ps3 + "temperature("
+            text = text + "id=" + `id`
+            text = text + ", temp=" + `temp` + ")"
+            print text
+
+        # Id string.
+        if id != None and type(id) != str:
+            raise RelaxNoneStrError, ('experiment identification string', id)
+
+        # The temperature.
+        if type(temp) != float:
+            raise RelaxFloatError, ('temp', temp)
+
+        # Execute the functional code.
+        temperature.set(id=id, temp=temp)