Rosetta 3.4
Public Member Functions
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>

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List of all members.

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
 GeometrySecMatchRPE ()
 empty constructor
virtual bool evaluate_residues (core::conformation::Residue const &candidate_res, core::conformation::Residue const &target_res) const
 performs a logical AND for all of the AtomGeometry evaluators.
void add_atomgeom_evaluator (AtomGeometrySecMatchRPECOP evaluator)
virtual bool require_all_target_residue_atom_coordinates () const
 Returns true if all coordinates of the target residue are required in order to evaluate the interaction between the candidate and the target residues.
virtual bool require_target_atom_coordinate (Size target_atom_id) const
 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.
virtual bool require_candidate_residue_atoms_to_lie_near_target_atom (Size target_atom_id) const
 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.
virtual utility::vector1< Sizecandidate_res_atoms_reqd_near_target_atom (Size target_atom_id) const
virtual Real max_separation_dist_to_target_atom (Size target_atom_id) const
utility::vector1
< AtomGeometrySecMatchRPECOP >
const & 
atom_geom_rpes () const

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

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

empty constructor


Member Function Documentation

void protocols::match::downstream::GeometrySecMatchRPE::add_atomgeom_evaluator ( AtomGeometrySecMatchRPECOP  evaluator)
utility::vector1< AtomGeometrySecMatchRPECOP > const& protocols::match::downstream::GeometrySecMatchRPE::atom_geom_rpes ( ) const [inline]
utility::vector1< GeometrySecMatchRPE::Size > protocols::match::downstream::GeometrySecMatchRPE::candidate_res_atoms_reqd_near_target_atom ( Size  target_atom_id) const [virtual]

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.

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

performs a logical AND for all of the AtomGeometry evaluators.

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

GeometrySecMatchRPE::Real protocols::match::downstream::GeometrySecMatchRPE::max_separation_dist_to_target_atom ( Size  target_atom_id) const [virtual]

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.

bool protocols::match::downstream::GeometrySecMatchRPE::require_all_target_residue_atom_coordinates ( ) const [virtual]

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.

bool protocols::match::downstream::GeometrySecMatchRPE::require_candidate_residue_atoms_to_lie_near_target_atom ( Size  target_atom_id) const [virtual]

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.

bool protocols::match::downstream::GeometrySecMatchRPE::require_target_atom_coordinate ( Size  target_atom_id) const [virtual]

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.


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