Commit | Date | |
---|---|---|
[r21446]
by
bugman
Updated a number of RDC test suite data files to have quotation marks around the spin IDs. This is to allow the molecule identifier to be present while not being mistaken for a comment line. |
2013-11-14 12:44:17 | Tree |
[r21445]
by
bugman
The rdc.read and j_coupling.read user functions now ignore all lines starting with the # character. This is to remove all comment lines silently. Therefore if spin IDs are used which contain the |
2013-11-14 12:43:21 | Tree |
[r21444]
by
bugman
Added quotation marks around a number of spin IDs with molecule names in some RDC data files. This is for the N-state model population model data used in the test suite. |
2013-11-14 12:34:07 | Tree |
2013-11-14 12:27:48 | Tree | |
2013-11-14 12:12:24 | Tree | |
[r21441]
by
bugman
Created the pipe_control.rdc.setup_pseudoatom_rdcs() function. This is used to make sure that the pseudo-atom interatomic systems (the containers from heternucleus |
2013-11-14 10:56:30 | Tree |
[r21440]
by
bugman
Clean ups and improvements for the pipe_control.rdc.check_rdcs() function. Pseudo-atoms are now handled much better and correctly in all cases. And many RelaxErrors have been |
2013-11-14 10:54:27 | Tree |
[r21439]
by
bugman
Added some RDC data checks to the N_state_model.test_pyrotartaric_anhydride_rdcs system test. This is to demonstrate a problem with the data assembly function pipe_control.rdc.return_rdc_data(). |
2013-11-14 10:34:18 | Tree |
[r21438]
by
bugman
Create two new warnings RelaxNucleusWarning and RelaxSpinTypeWarning to match the equivalent errors. |
2013-11-14 10:23:52 | Tree |
[r21437]
by
bugman
Movement of N-state model specific code to the analysis neutral pipe_control package. Many of the functions of the specific_analyses.n_state_model.data module relating to alignment |
2013-11-14 09:48:08 | Tree |