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Rosetta
2021.16
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Rosetta
2021.16
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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>
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::Size > | candidate_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 < AtomGeometrySecMatchRPECOP > | atom_geom_rpes_ |
Additional Inherited Members | |
| Public Types inherited from protocols::match::downstream::SecMatchResiduePairEvaluator | |
| typedef core::Size | Size |
| typedef core::Real | Real |
holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues.
| 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 | ||
| ) |
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
References atom_geom_rpes_, and protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::constraints().
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inline |
empty constructor
| void protocols::match::downstream::GeometrySecMatchRPE::add_atomgeom_evaluator | ( | AtomGeometrySecMatchRPECOP | evaluator | ) |
References atom_geom_rpes_.
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inline |
References atom_geom_rpes_.
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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_.
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overridevirtual |
performs a logical AND for all of the AtomGeometry evaluators.
Implements protocols::match::downstream::SecMatchResiduePairEvaluator.
References atom_geom_rpes_.
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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_.
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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.
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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_.
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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_.
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private |
1.8.7