The score state is passed up to two PairModifiers, one to apply before evaluation and the other after. The one after should take a DerivativeAccumulator as its last argument for PairModifier::apply() and will only be called if the score was computed with derivatives.
Public Member Functions | |
virtual std::string | get_type_name () const |
virtual ::IMP::VersionInfo | get_version_info () const |
PairConstraint (PairModifier *before, PairModifier *after, const ParticlePair &vt, std::string name="PairConstraint %1%") | |
void | set_after_evaluate_modifier (PairModifier *f) |
Apply this modifier to all the elements after an evaluate. | |
void | set_before_evaluate_modifier (PairModifier *f) |
Apply this modifier to all the elements before an evaluate. | |
Protected Member Functions | |
void | do_update_attributes () |
void | do_update_derivatives (DerivativeAccumulator *da) |
virtual ContainersTemp | get_input_containers () const |
virtual ParticlesTemp | get_input_particles () const |
virtual ParticlesList | get_interacting_particles () const |
virtual ContainersTemp | get_output_containers () const |
virtual ParticlesTemp | get_output_particles () const |
Friends | |
template<class T > | |
void | IMP::internal::unref (T *) |
IMP::core::PairConstraint::PairConstraint | ( | PairModifier * | before, | |
PairModifier * | after, | |||
const ParticlePair & | vt, | |||
std::string | name = "PairConstraint %1%" | |||
) |
before and after are the modifiers to apply before and after evaluate.