Author: bugman
Date: Tue Jul 1 17:32:47 2014
New Revision: 24384
URL: http://svn.gna.org/viewcvs/relax?rev=24384&view=rev
Log:
Merged revisions 24361,24365,24380-24383 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r24361 | bugman | 2014-06-30 10:16:57 +0200 (Mon, 30 Jun 2014) | 5 lines
Added better epydoc sectioning to the lib.dispersion.ns_cpmg_2site_expanded
module docstring.
This is to better separate the original scripts used to document the code
evolution.
........
r24365 | bugman | 2014-06-30 18:10:09 +0200 (Mon, 30 Jun 2014) | 6 lines
Created the very basic structure.com user function for calculating the
centre of mass.
This is to simply allow an easy interface to the
pipe_control.structure.mass.pipe_centre_of_mass()
function.
........
r24380 | bugman | 2014-07-01 17:04:41 +0200 (Tue, 01 Jul 2014) | 6 lines
Empty lines are now handled by the lib.structure.pdb_write.record()
function.
By supplying the remark as None, empty lines can now be created in the
REMARK section of a PDB file.
This can be used for nicer formatting.
........
r24381 | bugman | 2014-07-01 17:08:16 +0200 (Tue, 01 Jul 2014) | 8 lines
Expansion of the REMARK section of the PDB file created for the internal
structural object.
This is visible when using the structure.write_pdb user function, as well
as the many other user
functions which create PDB files. The relax version as well as the file
creation date are now
recorded in the PDB file. This extra information should be very useful.
Empty lines in the REMARK
section improve the formatting.
........
r24382 | bugman | 2014-07-01 17:16:30 +0200 (Tue, 01 Jul 2014) | 5 lines
Fixes for the Diffusion_tensor system tests due to the recent PDB file
changes.
Prior to the comparison of the generated PDB files, all REMARK PDB lines
are now stripped out.
........
r24383 | bugman | 2014-07-01 17:30:56 +0200 (Tue, 01 Jul 2014) | 6 lines
Fixes for all system tests failing due to the expanded and improved PDB
REMARK section.
The system tests now remove all REMARK records prior to comparing file
contents. The special
strip_remarks() system test method has been created to simplify the
stripping process.
........
Modified:
branches/frame_order_cleanup/ (props changed)
branches/frame_order_cleanup/lib/dispersion/ns_cpmg_2site_expanded.py
branches/frame_order_cleanup/lib/structure/internal/object.py
branches/frame_order_cleanup/lib/structure/pdb_write.py
branches/frame_order_cleanup/pipe_control/structure/main.py
branches/frame_order_cleanup/test_suite/system_tests/diffusion_tensor.py
branches/frame_order_cleanup/test_suite/system_tests/structure.py
branches/frame_order_cleanup/user_functions/structure.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified:
branches/frame_order_cleanup/lib/dispersion/ns_cpmg_2site_expanded.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/dispersion/ns_cpmg_2site_expanded.py?rev=24384&r1=24383&r2=24384&view=diff
Modified: branches/frame_order_cleanup/lib/structure/internal/object.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/internal/object.py?rev=24384&r1=24383&r2=24384&view=diff
Modified: branches/frame_order_cleanup/lib/structure/pdb_write.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/pdb_write.py?rev=24384&r1=24383&r2=24384&view=diff
Modified: branches/frame_order_cleanup/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/pipe_control/structure/main.py?rev=24384&r1=24383&r2=24384&view=diff
Modified:
branches/frame_order_cleanup/test_suite/system_tests/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/diffusion_tensor.py?rev=24384&r1=24383&r2=24384&view=diff
Modified: branches/frame_order_cleanup/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/structure.py?rev=24384&r1=24383&r2=24384&view=diff
Modified: branches/frame_order_cleanup/user_functions/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/user_functions/structure.py?rev=24384&r1=24383&r2=24384&view=diff
r24384 - in /branches/frame_order_cleanup: ./ lib/dispersion/ lib/structure/ lib/structure/internal/ pipe_control/structure/...