IMP::core::TypedPairScore Class Reference

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Detailed Description

Delegate to another PairScore depending on particle types.

Each particle is given an integer type, which is used at evaluate time to select a PairScore to use for a given pair of particles. (The ordering of the particles does not matter.) After creating the object, call set_pair_score() to tell it the PairScore objects you want to use for each pair of particle types.

Inheritance diagram for IMP::core::TypedPairScore:

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Public Member Functions
ContainersTemp	get_input_containers (const ParticlePair &p) const
ParticlesTemp	get_input_particles (const ParticlePair &p) const
ParticlesList	get_interacting_particles (const ParticlePair &p) const
bool	get_is_changed (const ParticlePair &pp) const
	IMP_PAIR_SCORE_BASE (TypedPairScore)
void	set_pair_score (PairScore *ps, Int atype, Int btype)
	Set the PairScore to delegate to for a given pair of particle types.
virtual void	set_particle_type (Particle *p) const
	Set the particle's type.
	TypedPairScore (IntKey typekey, bool allow_invalid_types=true)
	Constructor.

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Constructor & Destructor Documentation

IMP::core::TypedPairScore::TypedPairScore	(	IntKey	typekey,
		bool	allow_invalid_types = true
	)

Constructor.

Parameters:

[in]	typekey	The IntKey used to denote the type of each particle.
[in]	allow_invalid_types	Desired behavior for particle pairs that have types not covered by set_pair_score(). If true, the score returned for these pairs is zero. If false, evaluate() raises a ValueException.

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Member Function Documentation

void IMP::core::TypedPairScore::set_pair_score	(	PairScore *	ps,
		Int	atype,
		Int	btype
	)

Set the PairScore to delegate to for a given pair of particle types.

Parameters:

[in]	ps	PairScore to use at evaluate time.
[in]	atype	First particle type.
[in]	btype	Second particle type.

virtual void IMP::core::TypedPairScore::set_particle_type

(

Particle *

p

)

const [virtual]

Set the particle's type.

At evaluate time, if a given particle does not have the typekey attribute, this method is called. Here it does nothing, but it could be overridden in a subclass to automatically set the type of a particle, e.g. from other particle attributes such as an atom or residue name.

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The documentation for this class was generated from the following files:

• TypedPairScore.h
• core/__init__.py