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protocols::match::downstream::GeometrySecMatchRPE Class Reference

holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues. More...

#include <GeometrySecMatchRPE.hh>

Inheritance diagram for protocols::match::downstream::GeometrySecMatchRPE:
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Public Member Functions

 GeometrySecMatchRPE (protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo const &mcfi, utility::vector1< core::Size > const &downstream_inds, utility::vector1< core::Size > const &upstream_inds)
 convenience constructor from mcfi the downstream_inds and upstream_inds vector must contain atoms D1(U1), D2(U2), and D3(U3), respectively, in that order More...
 
 GeometrySecMatchRPE ()
 empty constructor More...
 
bool evaluate_residues (core::conformation::Residue const &candidate_res, core::conformation::Residue const &target_res) const override
 performs a logical AND for all of the AtomGeometry evaluators. More...
 
void add_atomgeom_evaluator (AtomGeometrySecMatchRPECOP evaluator)
 
bool require_all_target_residue_atom_coordinates () const override
 Returns true if all coordinates of the target residue are required in order to evaluate the interaction between the candidate and the target residues. More...
 
bool require_target_atom_coordinate (core::Size target_atom_id) const override
 If require_all_target_residue_atom_coordinates() returns false, then this method should return true for the atoms on the target residue that the evaluator requires. More...
 
bool require_candidate_residue_atoms_to_lie_near_target_atom (core::Size target_atom_id) const override
 Are there atoms of the candidate residue that must be within some cutoff distance of a given atom on the target residue? Base class implementation returns false. More...
 
utility::vector1< core::Sizecandidate_res_atoms_reqd_near_target_atom (core::Size target_atom_id) const override
 
Real max_separation_dist_to_target_atom (core::Size target_atom_id) const override
 
utility::vector1< AtomGeometrySecMatchRPECOP > const & atom_geom_rpes () const
 
- Public Member Functions inherited from protocols::match::downstream::SecMatchResiduePairEvaluator
 SecMatchResiduePairEvaluator ()
 
 ~SecMatchResiduePairEvaluator () override
 

Private Attributes

utility::vector1< AtomGeometrySecMatchRPECOPatom_geom_rpes_
 

Additional Inherited Members

- Public Types inherited from protocols::match::downstream::SecMatchResiduePairEvaluator
typedef core::Size Size
 
typedef core::Real Real
 

Detailed Description

holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues.

Constructor & Destructor Documentation

◆ GeometrySecMatchRPE() [1/2]

protocols::match::downstream::GeometrySecMatchRPE::GeometrySecMatchRPE ( protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo const &  mcfi,
utility::vector1< core::Size > const &  downstream_inds,
utility::vector1< core::Size > const &  upstream_inds 
)

◆ GeometrySecMatchRPE() [2/2]

protocols::match::downstream::GeometrySecMatchRPE::GeometrySecMatchRPE ( )
inline

empty constructor

Member Function Documentation

◆ add_atomgeom_evaluator()

void protocols::match::downstream::GeometrySecMatchRPE::add_atomgeom_evaluator ( AtomGeometrySecMatchRPECOP  evaluator)

References atom_geom_rpes_.

◆ atom_geom_rpes()

utility::vector1< AtomGeometrySecMatchRPECOP > const& protocols::match::downstream::GeometrySecMatchRPE::atom_geom_rpes ( ) const
inline

References atom_geom_rpes_.

◆ candidate_res_atoms_reqd_near_target_atom()

utility::vector1< GeometrySecMatchRPE::Size > protocols::match::downstream::GeometrySecMatchRPE::candidate_res_atoms_reqd_near_target_atom ( core::Size  target_atom_id) const
overridevirtual

Aggregate the sets of atoms that are required to be near a given target atom from the various AtomGeometry evaluators

Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.

References atom_geom_rpes_.

◆ evaluate_residues()

bool protocols::match::downstream::GeometrySecMatchRPE::evaluate_residues ( core::conformation::Residue const &  candidate_res,
core::conformation::Residue const &  target_res 
) const
overridevirtual

performs a logical AND for all of the AtomGeometry evaluators.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

References atom_geom_rpes_.

◆ max_separation_dist_to_target_atom()

GeometrySecMatchRPE::Real protocols::match::downstream::GeometrySecMatchRPE::max_separation_dist_to_target_atom ( core::Size  target_atom_id) const
overridevirtual

Return the shortest of the distance cutoffs from the AtomGeometry that do describe a distance cutoff to a particular target atom.

Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.

References atom_geom_rpes_.

◆ require_all_target_residue_atom_coordinates()

bool protocols::match::downstream::GeometrySecMatchRPE::require_all_target_residue_atom_coordinates ( ) const
overridevirtual

Returns true if all coordinates of the target residue are required in order to evaluate the interaction between the candidate and the target residues.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

◆ require_candidate_residue_atoms_to_lie_near_target_atom()

bool protocols::match::downstream::GeometrySecMatchRPE::require_candidate_residue_atoms_to_lie_near_target_atom ( core::Size  target_atom_id) const
overridevirtual

Are there atoms of the candidate residue that must be within some cutoff distance of a given atom on the target residue? Base class implementation returns false.

Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.

References atom_geom_rpes_.

◆ require_target_atom_coordinate()

bool protocols::match::downstream::GeometrySecMatchRPE::require_target_atom_coordinate ( core::Size  target_atom_id) const
overridevirtual

If require_all_target_residue_atom_coordinates() returns false, then this method should return true for the atoms on the target residue that the evaluator requires.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

References atom_geom_rpes_.

Member Data Documentation

◆ atom_geom_rpes_

utility::vector1< AtomGeometrySecMatchRPECOP > protocols::match::downstream::GeometrySecMatchRPE::atom_geom_rpes_
private

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