Author: bugman
Date: Thu Dec 11 17:13:55 2014
New Revision: 27094
URL: http://svn.gna.org/viewcvs/relax?rev=27094&view=rev
Log:
Converted the structure.web_of_motion user function to the new
pipe/model/molecule/atom_id design.
This allows the web of motion representation to work on atomic coordinates from
different data
pipes, different structural models, and different molecules. The user function
backend uses the new
pipe_control.structure.main.assemble_coordinates() function to assemble the
common atom coordinates,
molecule names, residue names, residue numbers, atom names and elements. All
this information is
then used to construct the new web of motion PDB file. Therefore the entire
backend has been
rewritten.
The Structure.test_web_of_motion_12, Structure.test_web_of_motion_13, and
Structure.test_web_of_motion_all system tests have all been updated for the
changed
structure.web_of_motion user function arguments. In addition, the system tests
Structure.test_web_of_motion_12_molecules,
Structure.test_web_of_motion_13_molecules and
Structure.test_web_of_motion_all_molecules have been created as a copy of the
other tests but with
the 3 structures loaded as different molecules.
Modified:
trunk/pipe_control/structure/main.py
trunk/test_suite/system_tests/structure.py
trunk/user_functions/structure.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27094&r1=27093&r2=27094&view=diff
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=27094&r1=27093&r2=27094&view=diff
Modified: trunk/user_functions/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/structure.py?rev=27094&r1=27093&r2=27094&view=diff
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