/** * \file TripletsConstraint.h * \brief Use a TripletModifier applied to a ParticleTriplets to * maintain an invariant * * This file is generated by a script (core/tools/make-container). * Do not edit directly. * * Copyright 2007-2010 IMP Inventors. All rights reserved. */ #ifndef IMPCONTAINER_TRIPLETS_CONSTRAINT_H #define IMPCONTAINER_TRIPLETS_CONSTRAINT_H #include "container_config.h" #include #include #include IMP_BEGIN_NAMESPACE // for swig class TripletContainer; class TripletModifier; IMP_END_NAMESPACE IMPCONTAINER_BEGIN_NAMESPACE //! Apply a TripletFunction to a TripletContainer to maintain an invariant /** The score state is passed up to two TripletModifiers, one to apply before evaluation and the other after. The one after should take a DerivativeAccumulator as its last argument for TripletModifier::apply() and will only be called if the score was computed with derivatives. An example showing a how to use such a score state to maintain a cover of the atoms of a protein by a sphere per residue. \verbinclude cover_particles.py \see TripletConstraint */ class IMPCONTAINEREXPORT TripletsConstraint : public Constraint { IMP::internal::OwnerPointer f_; IMP::internal::OwnerPointer af_; IMP::internal::OwnerPointer c_; public: /** \param[in] c The Container to hold the elements to process \param[in] before The TripletModifier to apply to all elements before evaluate. \param[in] after The TripletModifier to apply to all elements after evaluate. \param[in] name The object name */ TripletsConstraint(TripletContainer *c, TripletModifier *before, TripletModifier *after, std::string name="TripletConstraint %1%"); //! Apply this modifier to all the elements after an evaluate void set_after_evaluate_modifier(TripletModifier* f) { af_=f; } //! Apply this modifier to all the elements before an evaluate void set_before_evaluate_modifier(TripletModifier* f) { f_=f; } IMP_CONSTRAINT(TripletsConstraint); }; IMPCONTAINER_END_NAMESPACE #endif /* IMPCONTAINER_TRIPLETS_CONSTRAINT_H */