Author: bugman
Date: Thu Sep 4 18:07:48 2014
New Revision: 25648
URL: http://svn.gna.org/viewcvs/relax?rev=25648&view=rev
Log:
Updated the CHANGES file for the commits recently ported from the relax trunk.
Modified:
tags/3.3.0/docs/CHANGES
Modified: tags/3.3.0/docs/CHANGES
URL:
http://svn.gna.org/viewcvs/relax/tags/3.3.0/docs/CHANGES?rev=25648&r1=25647&r2=25648&view=diff
==============================================================================
--- tags/3.3.0/docs/CHANGES (original)
+++ tags/3.3.0/docs/CHANGES Thu Sep 4 18:07:48 2014
@@ -20,6 +20,7 @@
* Large expansion of the periodic table information in the relax
library to include all elements, the IUPAC 2011 standard atomic weights for
all elements, mass numbers and atomic masses for all stable isotopes, and
gyromagnetic ratios.
* Significant improvements to the structure centre of mass
calculations by using the new periodic table information - all elements are
now supported and exact masses are now used.
* Added a button to the spectra list GUI element for the
spectrum.error_analysis user function. This is placed after the 'Add' and
'Delete' buttons and is used in the NOE, R1 and R2 curve-fitting and
relaxation dispersion analyses.
+ * RelaxErrors are now raised in the prompt or script UI if an old
user function is called, printing out the names of the old and new user
functions. This is for help in upgrading old scripts and is currently for
the calc(), grid_search(), and minimise() user function calls.
Changes:
@@ -1244,6 +1245,10 @@
* Python 2 vs. 3 compatibility fix for the pickle module. This is
for the estimate_errors*.py scripts in the directory
test_suite/shared_data/curve_fitting/numeric_topology/. The
lib.compat.pickle module is now used to allow both Python versions to run
relax.
* Python 3 fix, the cmp(v1, v2) notation in the
dep_check.version_comparison() function has been replaced with (v1 > v2) -
(v1 < v2). This allows relax to run on Python 3.
* Python 3 fix for the lib.periodic_table module, the Python string
module does not exist in Python 3.
+ * Created the user_functions.uf_translation_table list. The
elements of this list are the names of user functions before and after a
renaming. The list is provided for backwards compatibility for relax
scripts, though it is not used yet.
+ * Converted the user_functions.uf_translation_table object to a
dictionary. This is for faster access which does not require looping.
+ * The prompt UI now uses the user_functions.uf_translation_table
dictionary. The modified runcode() function will now check if the command
typed by the user is a function or method call and then will raise a
RelaxError if the command name is in the user_functions.uf_translation_table
dictionary, telling the user that the user function has been renamed to the
new name in the translation table. This appears to have no effect in the
script UI however.
+ * Hack in the script UI for handling missing user functions due to
it being renamed. This script UI requires a different solution as the prompt
UI. The script is executed via the runpy Python module and there appears to
be no clean way of catching each command before it is executed. So instead,
prior to executing the script, the contents of the script are read and old
user functions are searched for using re.search(). The old user function
name has "(" appended to it in the search so that it is sure that it is a
user function call. And the old function must have a space or newline
character preceding it.
Bugfixes:
r25648 - /tags/3.3.0/docs/CHANGES