[IMP-dev] Last week in IMP

[Daniel Russel <drussel@gmail.com>]

• Containers now have methods IMP::SingletonContainer::evaluate(), IMP::PairContainer::evaluate(), IMP::SingletonContainer::apply() and IMP::PairContainer::apply(). Using these can be significantly faster than looping over the particles externally. Similarly, there is IMP::SingletonScore::evaluate(), IMP::PairScore::evaluate(),IMP::SingletonModifier::apply(), IMP::PairModifier::apply().

• The decorator functions have been renamed to IMP::Decorator::setup_particle(), IMP::Decorator::decorate_particle() and IMP::Decorator::particle_is_instance(). A shell script tools/update-decorators is provided which updates the names in all code in subdirectories of the current directory. Please backup things first.

• a function, IMP::Restraint::safe_evaluate() has been added to be used when requesting the value of restraints outside of the IMP::Model::evaluate().