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 The functionality has been replaced by the complete and 100% accurate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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