/** * \file PairsConstraint.h * \brief Use a PairModifier applied to a ParticlePairsTemp 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_PAIRS_CONSTRAINT_H #define IMPCONTAINER_PAIRS_CONSTRAINT_H #include "container_config.h" #include #include #include IMP_BEGIN_NAMESPACE // for swig class PairContainer; class PairModifier; IMP_END_NAMESPACE IMPCONTAINER_BEGIN_NAMESPACE //! Apply a PairFunction to a PairContainer to maintain an invariant /** 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. 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 PairConstraint */ class IMPCONTAINEREXPORT PairsConstraint : 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 PairModifier to apply to all elements before evaluate. \param[in] after The PairModifier to apply to all elements after evaluate. \param[in] name The object name */ PairsConstraint(PairContainer *c, PairModifier *before, PairModifier *after, std::string name="PairConstraint %1%"); //! Apply this modifier to all the elements after an evaluate void set_after_evaluate_modifier(PairModifier* f) { af_=f; } //! Apply this modifier to all the elements before an evaluate void set_before_evaluate_modifier(PairModifier* f) { f_=f; } IMP_CONSTRAINT(PairsConstraint); }; IMP_OBJECTS(PairsConstraint,PairsConstraints); IMPCONTAINER_END_NAMESPACE #endif /* IMPCONTAINER_PAIRS_CONSTRAINT_H */