r9829 - /1.3/physical_constants.py -- October 28, 2009 - 11:47

Author: bugman
Date: Wed Oct 28 11:47:59 2009
New Revision: 9829

URL: http://svn.gna.org/viewcvs/relax?rev=9829&view=rev
Log:
Added functions for determining the element name and isotope number from an 
isotope name.


Modified:
    1.3/physical_constants.py

Modified: 1.3/physical_constants.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/physical_constants.py?rev=9829&r1=9828&r2=9829&view=diff
==============================================================================
--- 1.3/physical_constants.py (original)
+++ 1.3/physical_constants.py Wed Oct 28 11:47:59 2009
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2007-2008 Edward d'Auvergne                                  
 #
+# Copyright (C) 2007-2009 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -26,7 +26,7 @@
 
 # Python module imports.
 from math import pi
-from string import upper
+from string import ascii_letters, digits, upper
 
 # relax module imports.
 from relax_errors import RelaxError
@@ -259,3 +259,33 @@
 
     # Unknown mass.
     raise RelaxError("The mass of the element " + repr(element) + " has not 
yet been programmed into relax.")
+
+
+
+# Element info.
+###############
+
+def element_from_isotope(isotope):
+    """Determine and return the element name for the given isotope.
+
+    @param isotope: The isotope name, such as '1H', '15N'.
+    @type isotope:  str
+    @return:        The element name.
+    @rtype:         str
+    """
+
+    # Remove the digit characters.
+    return isotrope.strip(digits)
+
+
+def number_from_isotope(isotope):
+    """Determine and return the isotope number for the given isotope.
+
+    @param isotope: The isotope name, such as '1H', '15N'.
+    @type isotope:  str
+    @return:        The isotope number.
+    @rtype:         int
+    """
+
+    # Remove the digit characters.
+    return int(isotrope.strip(ascii_letters))