Commit | Date | |
---|---|---|
[r11153]
by
bugman
Big bug fixes for the _minimise_setup_pcs() and _minimise_setup_rdcs() methods. This allows the missing data PCS and RDC optimisation system test to pass. Many problems were |
2010-04-27 15:55:04 | Tree |
[r11152]
by
bugman
Bug fix for the __det_pdb_element() method. RNA PDB files with missing element information is now handled properly. The stripping of the "'" |
2010-04-27 15:45:01 | Tree |
2010-04-27 15:35:45 | Tree | |
2010-04-27 15:30:47 | Tree | |
[r11149]
by
bugman
Modified the dna_pcs_fit.py N-state model system test script to use the truncated PDB file. This speeds the system test up by orders of magnitude. |
2010-04-27 15:05:09 | Tree |
[r11148]
by
bugman
Created a truncated version of the LE.pdb file for the RDC and PCS system tests. This contains just the atoms for PCS and RDCs, and will significantly speed up the tests. |
2010-04-27 14:22:01 | Tree |
[r11147]
by
bugman
Loosened a value check in the test_pcs_fit_zero_pos N-state model system test. This was sometimes failing, but the value was correct enough. |
2010-04-27 14:20:11 | Tree |
[r11146]
by
bugman
Created the test_missing_data N-state model system test. This should pull out a few hard to find bugs. |
2010-04-27 14:17:54 | Tree |
[r11145]
by
bugman
Wrote a script for testing the missing RDC and PCS data. This uses the N-state model with N=1, so direct testing of the single state to 4 tensors. |
2010-04-27 14:08:02 | Tree |
[r11144]
by
bugman
Created some test RDC and PCS data to test the handling of missing data. This includes entire data sets missing, spins missing from one type of data, and individual spins |
2010-04-27 14:04:51 | Tree |