Author: bugman
Date: Tue Jun 12 23:52:04 2012
New Revision: 16891
URL: http://svn.gna.org/viewcvs/relax?rev=16891&view=rev
Log:
Merged the remainder of the 2.0.0 tag CHANGES file changes back to trunk.
The command used was:
svn merge -r16889:r16890 svn+ssh://bugman@xxxxxxxxxxx/svn/relax/tags/2.0.0
Modified:
trunk/docs/CHANGES
Modified: trunk/docs/CHANGES
URL:
http://svn.gna.org/viewcvs/relax/trunk/docs/CHANGES?rev=16891&r1=16890&r2=16891&view=diff
==============================================================================
--- trunk/docs/CHANGES (original)
+++ trunk/docs/CHANGES Tue Jun 12 23:52:04 2012
@@ -26,6 +26,11 @@
Changes:
+ * Spun out the automatic column width formatting code from
relax_io.write_spin_data() to write_data().
+ * Used some colour for the relax GUI terminating print out asking
for citations.
+ * The completion of the test suite in the GUI mode now sets the
controller main gauge to 100%.
+ * Added checks to the BMRB export to make sure all necessary data
has been input. If not, then the Missing_data dialog will be presented to
the user to explain what is required.
+ * The Missing_data dialog can now have the parent wx element
specified. This is needed when launched from a child window such as the BMRB
export window.
* Improved the robustness of the bmrb.write user function for
missing data - this is in the generic_fns.diffusion_tensor.bmrb_write()
function, and is for missing atomic information required for the Tensor_list
saveframe.
* The bmrb.read user function is now reading in all of the
relaxation data metadata into the data store.
* Improved the robustness of the bmrb.write user function for
missing data - this is in the generic_fns.relax_data.bmrb_write() function,
and is for missing atomic information related to relaxation data.
@@ -618,6 +623,12 @@
* Created the Uf_info singleton class for holding all of user
function data.
* Created a number of special objects for the user function data
storage.
* Created the user_functions package.
+ * Added checks for the proton frq for the relax_data.read and
relax_data.back_calc user functions - if the frequency is not exact or is
less than 1 MHz, warnings are now given to the user.
+ * Made the bond vector extraction print out from structure.vectors
more informative.
+ * Created a sample script for BMRB data deposition.
+ * The relax data store is_empty() method now only prints to STDERR
if the verbosity flag is set.
+ * Changed the behaviour of the generate_spin_id() and
generate_spin_id_data_array() functions. This is a large change affecting
many parts of the code base. The problem that this solves is the incorrect
usage of the '&' character in spin IDs, tripping up on the powerful Selection
object of Chris MacRaild. For example, the spin ID ':2&:Glu' cannot be
correctly handled. This actually matches all residues with the number 2, and
all residues with the name 'Glu'.
+ * The scons 'clean' target now removes *.pyo files as well.
Bugfixes:
@@ -652,6 +663,13 @@
* Fix for the Analysis_controller.on_page_changed() method for reset
events. The relax data store now always has a ds.relax_gui object!
* Fix for the post_reset() method of the Analysis_controller object.
This unregisters all the analyses from the observer objects, and calls the
set_init_state() method only once all analysis pages are deleted. This in
combination with the synchronous reset user function calling prevents the GUI
from blowing up!
* Fix for the gui.misc.gui_to_tuple() function. This was failing in
many cases, especially where the value is not a tuple to start with.
+ * Bug fix for the bruker.read user function for reading Bruker
Dynamics Centre files - the spectrometer frequency needs to be converted from
MHz to Hz.
+ * Bug fix for the loading of the molecule name and type from relax
state or results files. The str() builtin function is now used to convert
the string from unicode to a normal string. This is needed as u'My mol' !=
'My mol', breaking a number of tests.
+ * The relax_data.delete user function is now finally properly
implemented (bug #19785, https://gna.org/bugs/?19785).
+ * The model-free minimisation is now checking for multiple vectors
per spin, and raises a RelaxError.
+ * Fix for the relax controller SplitIO() setup for logging and
teeing modes. The SplitIO() usage is now disabled for the test suite. This
prevents a doubling of the print outs in the GUI tests. The problem was
introduced at r15843 with the accommodation for the logging and teeing modes
with the GUI.
+ * Created a system test Mol_res_spin.test_residue_delete()
demonstrating a failure of the user function - deleting the first residue
removes the entire sequence.
+ * Fixes for most of the structure user functions - the pipe check is
now performed at the start.
r16891 - /trunk/docs/CHANGES