r11283 - in /1.3: generic_fns/ maths_fns/ specific_fns/r11283 - in /1.3: generic_fns/ maths_fns/ specific_fns/Author: bugman Date: Fri Jul 2 17:39:21 2010 New Revision: 11283 URL: http://svn.gna.org/viewcvs/relax?rev=11283&view=rev Log: Preparation for the optimisation of the paramagnetic centre in the N-state model. The calculation of PCS unit vectors and distances has been shifted into the new maths_fns.paramag_centre module and into the N-state model maths_fns code. The API of maths_fns.n_state_model has been changed so that now atomic positions, the paramagnetic centre position, the temperature, and frequency are passed in rather than the PCS vectors and constants. The code is now more flexible making it easy to add PRE support. Added: 1.3/maths_fns/paramag_centre.py Modified: 1.3/generic_fns/paramag.py 1.3/maths_fns/__init__.py 1.3/maths_fns/n_state_model.py 1.3/specific_fns/n_state_model.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: 1.3/generic_fns/paramag.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/paramag.py?rev=11283&r1=11282&r2=11283&view=diff Modified: 1.3/maths_fns/__init__.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/__init__.py?rev=11283&r1=11282&r2=11283&view=diff Modified: 1.3/maths_fns/n_state_model.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/n_state_model.py?rev=11283&r1=11282&r2=11283&view=diff Added: 1.3/maths_fns/paramag_centre.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/paramag_centre.py?rev=11283&view=auto Modified: 1.3/specific_fns/n_state_model.py URL: http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=11283&r1=11282&r2=11283&view=diff