mailr25386 - /trunk/lib/physical_constants.py


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Posted by edward on August 28, 2014 - 16:21:
Author: bugman
Date: Thu Aug 28 16:21:39 2014
New Revision: 25386

URL: http://svn.gna.org/viewcvs/relax?rev=25386&view=rev
Log:
Deletion of the lib.physical_constants.return_atomic_mass() function and all 
relative atomic masses.

These were inaccurate and only included a tiny subset of all standard atomic 
weight and isotope
masses.  The functionality has been replaced by the complete and 100% 
accurate complete
Periodic_table object in the lib.periodic_table module.


Modified:
    trunk/lib/physical_constants.py

Modified: trunk/lib/physical_constants.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/physical_constants.py?rev=25386&r1=25385&r2=25386&view=diff
==============================================================================
--- trunk/lib/physical_constants.py     (original)
+++ trunk/lib/physical_constants.py     Thu Aug 28 16:21:39 2014
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2007-2013 Edward d'Auvergne                                  
 #
+# Copyright (C) 2007-2014 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -192,83 +192,6 @@
         raise RelaxError("The nucleus type " + repr(nucleus) + " is 
unknown.")
 
 
-# Relative atomic masses.
-#########################
-
-ArH = 1.00794
-"""Proton atomic mass."""
-
-ArC = 12.0107
-"""Carbon atomic mass."""
-
-ArN = 14.0067
-"""Nitrogen atomic mass."""
-
-ArO = 15.9994
-"""Oxygen atomic mass."""
-
-ArS = 32.065
-"""Sulphur atomic mass."""
-
-ArCa = 40.078
-"""Calcium atomic mass."""
-
-
-# Function for returning the desired atomic mass.
-def return_atomic_mass(element=None):
-    """Return the atomic mass for the given element type.
-
-    @keyword element:   The element type.
-    @type element:      str
-    @raises RelaxError: If the element type is unknown.
-    @returns:           The desired atomic mass.
-    @rtype:             float
-    """
-
-    # Protons, deuterons.
-    if element == 'H':
-        return ArH
-    if element == '1H':
-        return 1.0
-    if element == '2H':
-        return 2.0
-
-    # Carbons.
-    if element == 'C':
-        return ArC
-    if element == '12C':
-        return 12.0
-    if element == '13C':
-        return 13.0
-
-    # Nitrogens.
-    if element == 'N':
-        return ArN
-    if element == '14N':
-        return 14.0
-    if element == '15N':
-        return 15.0
-
-    # Oxygens.
-    if element == 'O':
-        return ArO
-    if element == '16O':
-        return 16.0
-    if element == '17O':
-        return 17.0
-
-    # Sulphurs.
-    if element == 'S':
-        return ArS
-
-    # Calcium.
-    if element.upper() == 'CA':
-        return ArCa
-
-    # Unknown mass.
-    raise RelaxError("The mass of the element " + repr(element) + " has not 
yet been programmed into relax.")
-
-
 
 # Element info.
 ###############




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