Implemented full treatment of xtal info and experimental technique
- some reshuffling of fields in PDBHeader and PDBCrystallographicInfo
- now xtal info is parsed from both PDB and mmCIF (before only from PDB)
- remove deprecated method getHeader/setHeader in Structure
- some additions to the Structure interface e.g. isCrystallographic
- StructureImpl.isNmr() is reimplemented to strictly signal NMR
structures (as the docs say), use nrModels() for multimodels
- a few deprecations
Missing class in last commit
Using reflection for all class names in mmcif parser
Added test for crystal info and some small fixes
Reducing verbosity of test, switch to full output setting VERBOSE=true
Updating integration tests to latest structure commits
Test is now completely silent
New test for raw pdb files + fixes to isNmr heuristics
New test for experimental techniques parsing
removed all warnings from tests
fixed small issue in mmCIF parsing, model.Refine was not complete for
some entries
Adding some more tests for different parsing issues
also removed some warnings
Added long pdb-vs-mmcif-parsing test and fixed small issues in parsing
now loading space groups from XML file
fixing typo in javadoc
fixing typo in javadoc
don't specify tmp file names for AtomCache. It does that automatically. Also: /tmp does not exist on windows.
don't specify tmp file names for AtomCache. It does that automatically. Also: /tmp does not exist on windows.
less verbose test