Commit | Date | |
---|---|---|
[r18746]
by
bugman
The pcs.read user function backend now uses generic_fns.mol_res_spin.generate_spin_id_unique(). This allows the matching spin container to always be returned for storing the data. |
2013-03-10 20:28:56 | Tree |
[r18745]
by
bugman
Improved the generic_fns.mol_res_spin.generate_spin_id_unique() function. This can now work with molecule, residue, and spin names and numbers alternatively to the containers |
2013-03-10 16:01:34 | Tree |
2013-03-10 15:25:07 | Tree | |
[r18743]
by
bugman
Fix for the new generate_spin_id_unique() function. The precedence is now residue number then name, and spin name then number. |
2013-03-10 15:20:27 | Tree |
[r18742]
by
bugman
The spin_loop() function now uses generate_spin_id_unique() when the return_id flag is set. This ensures that the caller received a unique spin ID which can be used to retrieve the |
2013-03-10 15:13:19 | Tree |
[r18741]
by
bugman
Created the generic_fns.mol_res_spin.generate_spin_id_unique() function. This will return a truly unique spin ID string based on the current molecule, residue, and spin data |
2013-03-10 15:11:03 | Tree |
2013-03-10 15:07:59 | Tree | |
[r18739]
by
bugman
Fix for the generic_fns.interatomic.create_interatom() function. RelaxNoSpinWarning has been replaced with RelaxNoSpinError. |
2013-03-10 14:45:56 | Tree |
2013-03-10 14:44:44 | Tree | |
[r18737]
by
bugman
Missing import affecting the generic_fns.interatomic.create_interatom() function. |
2013-03-10 14:42:08 | Tree |