CSB 1.1.0
New features and API changes:
csb.bio.structure
Refactored DisorderedAtom
with a standard implementation of the proxy pattern
csb.bio.structure
Refactored AbstractEntity
, Atom
and DisorderedAtom
:
- renamed
AbstractEntity.list_coordinates()
toget_coordinates()
- renamed Atom.temperature to bfactor
- implemented
DisorderedAtom.find()
csb.statistics
Added support for theGumbel
distributions
csb.statistics
Renamed thellambda
parameter ofInverseGaussian
toscale
csb.statistics
Proper parameter validation of probability density objects
csb.statistics
Implemented a ML estimator forInverseGaussian
csb.test.cases.statistics
Replaced all functional tests with proper unit test cases
csb.statistics.samplers
Added full temperature support for MC sampling algorithms
csb.test
csb.test.Case.assertWithinDelta
was deprecated and removed
csb.build
RefactoredRevisionHandler
and added support for Mercurial repositories
Bug fixes:
csb.bio.structure
DisorderedAtom.residue
is None for alternate != 'A'
csb.bio.io.wwpdb
AbstractStructureParser.parse_models()
crashes for X-ray structures
csb.bio.hmm
ProfileHMM.segment()
fails when the A3M alignment in the profile contains duplicate identifiers
csb.statistics
csb.statistics.pdf.InverseGaussian.llambda
returns wrong value
csb.numeric
csb.numeric.integrators
: FastLeapFrog
gives faulty results when only one integration step is performed
csb.numeric
csb.numeric.polar
crashes on python 3.1
csb.bio.io.clans
ClansParser
does not tolerate malformatted colorarr descriptions
csb.bio.io.clans
ClansParser
does not parse seqgroup property 'hide=1' correctly
csb.bio.io.clans
ClansParser
crashes on files created by newest CLANS version
csb.bio.io.clans
ClansParser
sets Clans.entries
to a list while it should be a ClansEntryCollection