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 The functionality has been replaced by the complete and 100% accurate complete Periodic_table object in the lib.periodic_table module.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. ###############