Author: bugman Date: Sat May 9 18:09:24 2009 New Revision: 9041 URL: http://svn.gna.org/viewcvs/relax?rev=9041&view=rev Log: Merged revisions 9027-9040 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r9028 | bugman | 2009-04-28 18:06:17 +0200 (Tue, 28 Apr 2009) | 3 lines Fix for the __assemble_scaling_matrix() method for the 'fixed' N-state model. ........ r9029 | bugman | 2009-04-28 19:34:45 +0200 (Tue, 28 Apr 2009) | 5 lines Fix for the 'fixed' N-state model. When constraints are automatically turned off for this, the minimisation algorithm should as change. ........ r9030 | bugman | 2009-04-28 19:45:17 +0200 (Tue, 28 Apr 2009) | 6 lines Fixed a bug introduced at r9029. The removal of the 'Method of Multipliers' algorithm with automatic constraint removal didn't take the grid search into account. ........ r9031 | bugman | 2009-04-29 10:41:43 +0200 (Wed, 29 Apr 2009) | 6 lines Fixed a bug introduced at r9023. The spin position was being assumed to be a list of numpy arrays, but in some cases it was simply a numpy array. ........ r9032 | bugman | 2009-04-29 10:57:31 +0200 (Wed, 29 Apr 2009) | 3 lines The lanthanide atoms are now loaded into the relax data store for the lactose N-state model test. ........ r9033 | bugman | 2009-04-29 11:01:49 +0200 (Wed, 29 Apr 2009) | 5 lines Some more fixes for the centre() function. This should now be fully debugged! ........ r9034 | bugman | 2009-04-29 11:10:20 +0200 (Wed, 29 Apr 2009) | 3 lines Added the ave_pos flag to the pcs.centre() user function. ........ r9035 | bugman | 2009-04-29 11:23:36 +0200 (Wed, 29 Apr 2009) | 3 lines Added support for multiple paramagnetic centre extraction to the centre() function. ........ r9036 | bugman | 2009-05-06 10:50:56 +0200 (Wed, 06 May 2009) | 3 lines Added an Xplor NOE restraint file fragment with a methyl group. ........ r9037 | bugman | 2009-05-06 10:55:04 +0200 (Wed, 06 May 2009) | 3 lines Added a system test for the reading of the Xplor pseudoatom data. ........ r9038 | bugman | 2009-05-06 13:52:18 +0200 (Wed, 06 May 2009) | 3 lines Fixes for the NOE restraint system tests. ........ r9039 | bugman | 2009-05-06 16:50:13 +0200 (Wed, 06 May 2009) | 3 lines Added pseudoatom support to the parse_noe_restraints() function. ........ r9040 | bugman | 2009-05-06 17:03:00 +0200 (Wed, 06 May 2009) | 6 lines Rewrote how the Xplor NOE restraints are read. Two new functions, first_parse() and second_parse() have been written to first extract all assign statements and then handle pseudoatoms. ........ Added: branches/cst/test_suite/shared_data/noe_restraints/pseudo_atoms.dat - copied unchanged from r9040, 1.3/test_suite/shared_data/noe_restraints/pseudo_atoms.dat Modified: branches/cst/ (props changed) branches/cst/generic_fns/noesy.py branches/cst/generic_fns/pcs.py branches/cst/generic_fns/xplor.py branches/cst/prompt/pcs.py branches/cst/specific_fns/n_state_model.py branches/cst/test_suite/system_tests/noe_restraints.py branches/cst/test_suite/system_tests/scripts/lactose_n_state.py branches/cst/test_suite/system_tests/scripts/phthalic_acid_noes.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: branches/cst/generic_fns/noesy.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/noesy.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/generic_fns/pcs.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/pcs.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/generic_fns/xplor.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/xplor.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/prompt/pcs.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/prompt/pcs.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/specific_fns/n_state_model.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/specific_fns/n_state_model.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/test_suite/system_tests/noe_restraints.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/system_tests/noe_restraints.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/test_suite/system_tests/scripts/lactose_n_state.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/system_tests/scripts/lactose_n_state.py?rev=9041&r1=9040&r2=9041&view=diff Modified: branches/cst/test_suite/system_tests/scripts/phthalic_acid_noes.py URL: http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/system_tests/scripts/phthalic_acid_noes.py?rev=9041&r1=9040&r2=9041&view=diff