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().