core::scoring::geometric_solvation::GeometricSolEnergyEvaluator Class Reference

#include <GeometricSolEnergyEvaluator.hh>

Public Member Functions
	GeometricSolEnergyEvaluator (methods::EnergyMethodOptions const &opts)
	copy c-tor More...
	GeometricSolEnergyEvaluator (GeometricSolEnergyEvaluator const &src)
	copy ctor More...
	~GeometricSolEnergyEvaluator ()
void	residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const
	Everything in here. More...
void	eval_atom_derivative (id::AtomID const &atom_id, pose::Pose const &pose, kinematics::DomainMap const &, ScoreFunction const &, EnergyMap const &weights, Vector &F1, Vector &F2) const
	f1 and f2 are zeroed More...
void	eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const
Distance	atomic_interaction_cutoff () const
	HACK! MAX_R defines the maximum donorH to acceptor distance. More...
Real	geometric_sol_one_way_bb_bb (conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	geometric_sol_one_way_sc (conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	res_res_geometric_sol_one_way (conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
bool	atom_is_donor_h (conformation::Residue const &rsd, Size const atm) const
bool	atom_is_acceptor (conformation::Residue const &rsd, Size const atm) const
bool	atom_is_heavy (conformation::Residue const &rsd, Size const atm) const
void	get_atom_atom_geometric_solvation_for_donor (Size const &don_h_atm, conformation::Residue const &don_rsd, Size const &occ_atm, conformation::Residue const &occ_rsd, pose::Pose const &pose, Real &energy, bool const update_deriv=false, hbonds::HBondDerivs &deriv=hbonds::DUMMY_DERIVS) const
void	get_atom_atom_geometric_solvation_for_acceptor (Size const &acc_atm, conformation::Residue const &acc_rsd, Size const &occ_atm, conformation::Residue const &occ_rsd, pose::Pose const &pose, Real &energy, bool const update_deriv=false, hbonds::HBondDerivs &deriv=hbonds::DUMMY_DERIVS) const
void	eval_atom_derivative_intra_RNA (id::AtomID const &atom_id, pose::Pose const &pose, EnergyMap const &weights, Vector &F1, Vector &F2) const
Real	eval_atom_energy (id::AtomID const &atom_id, pose::Pose const &pose) const

Private Member Functions
Real	donorRes_occludingRes_geometric_sol_one_way (conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	acceptorRes_occludingRes_geometric_sol_one_way (conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	donorRes_occludingRes_geometric_sol_one_way_bb_bb (conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	acceptorRes_occludingRes_geometric_sol_one_way_bb_bb (conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	donorRes_occludingRes_geometric_sol_one_way_sc (conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	acceptorRes_occludingRes_geometric_sol_one_way_sc (conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const
Real	occluded_water_hbond_penalty (bool const &is_donor, hbonds::HBEvalTuple const &hbond_eval_type, Vector const &polar_atm_xyz, Vector const &base_atm_xyz, Vector const &occluding_atm_xyz, Size const &polar_nb, Size const &occ_nb, bool const update_deriv=false, hbonds::HBondDerivs &deriv=hbonds::DUMMY_DERIVS) const
void	set_water_base_atm (Vector const &base_v, Vector const &atom_v, Vector const &water_v, Vector &water_base_v, Real const &xH, Distance const &bond_length) const
Real	get_water_cos (Vector const &base_atm_xyz, Vector const &polar_atm_xyz, Vector const &occluding_atm_xyz) const
	Compute the cosine required for calling water Hbond energies. More...
bool	atom_is_donor (conformation::Residue const &rsd, Size const atm) const
Real	donorRes_occludingRes_geometric_sol_RNA_intra (conformation::Residue const &rsd, pose::Pose const &pose) const
Real	acceptorRes_occludingRes_geometric_sol_RNA_intra (conformation::Residue const &rsd, pose::Pose const &pose) const
Vector	get_acceptor_base_atm_xyz (conformation::Residue const &acc_rsd, Size const &acc_atm) const

Private Attributes
methods::EnergyMethodOptionsOP	options_
hbonds::HBondDatabaseCOP	hb_database_
Real const	dist_cut2_
Real const	geometric_sol_scale_
bool const	correct_geom_sol_acceptor_base_
bool const	verbose_

Constructor & Destructor Documentation

core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::GeometricSolEnergyEvaluator

(

methods::EnergyMethodOptions const &

opts

)

copy c-tor

References geom_sol_correct_acceptor_base, option, options, options_, and score.

core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::GeometricSolEnergyEvaluator

(

GeometricSolEnergyEvaluator const &

src

)

copy ctor

core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::~GeometricSolEnergyEvaluator

(

)

Member Function Documentation

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::acceptorRes_occludingRes_geometric_sol_one_way ( conformation::Residue const &  acc_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References core::conformation::Residue::accpt_pos(), get_atom_atom_geometric_solvation_for_acceptor(), and core::conformation::Residue::nheavyatoms().

Referenced by res_res_geometric_sol_one_way().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::acceptorRes_occludingRes_geometric_sol_one_way_bb_bb ( conformation::Residue const &  acc_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References core::conformation::Residue::accpt_pos(), core::conformation::Residue::atom_is_backbone(), get_atom_atom_geometric_solvation_for_acceptor(), and core::conformation::Residue::nheavyatoms().

Referenced by geometric_sol_one_way_bb_bb().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::acceptorRes_occludingRes_geometric_sol_one_way_sc ( conformation::Residue const &  acc_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References core::conformation::Residue::accpt_pos(), core::conformation::Residue::atom_is_backbone(), core::conformation::Residue::first_sidechain_atom(), get_atom_atom_geometric_solvation_for_acceptor(), core::conformation::Residue::nheavyatoms(), and start.

Referenced by geometric_sol_one_way_sc().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::acceptorRes_occludingRes_geometric_sol_RNA_intra ( conformation::Residue const &  rsd, pose::Pose const &  pose  ) const

private

References core::conformation::Residue::accpt_pos(), get_atom_atom_geometric_solvation_for_acceptor(), core::chemical::rna::Is_base_phosphate_atom_pair(), and core::conformation::Residue::nheavyatoms().

Referenced by eval_intrares_energy().

bool core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::atom_is_acceptor	(	conformation::Residue const &	rsd,
		Size const	atm
	)		const

References core::conformation::Residue::accpt_pos().

Referenced by eval_atom_derivative(), eval_atom_derivative_intra_RNA(), eval_atom_energy(), get_atom_atom_geometric_solvation_for_acceptor(), and get_atom_atom_geometric_solvation_for_donor().

bool core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::atom_is_donor ( conformation::Residue const &  rsd, Size const  atm  ) const

private

References core::conformation::Residue::atom_base(), and core::conformation::Residue::Hpos_polar().

Referenced by get_atom_atom_geometric_solvation_for_acceptor().

bool core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::atom_is_donor_h	(	conformation::Residue const &	rsd,
		Size const	atm
	)		const

References core::conformation::Residue::Hpos_polar().

Referenced by eval_atom_derivative(), eval_atom_derivative_intra_RNA(), eval_atom_energy(), and get_atom_atom_geometric_solvation_for_donor().

bool core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::atom_is_heavy	(	conformation::Residue const &	rsd,
		Size const	atm
	)		const

References core::conformation::Residue::is_virtual(), and core::conformation::Residue::nheavyatoms().

Referenced by eval_atom_derivative(), and eval_atom_derivative_intra_RNA().

Distance core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::atomic_interaction_cutoff

(

)

const

HACK! MAX_R defines the maximum donorH to acceptor distance.

Note – this is used in HBonds to add up backbone/backbone energies, while the residue_pair_energy does the sidechain stuff. For now make this an empty function, although it will come back into the game if we decide to speed up the packer.

References core::scoring::hbonds::MAX_R.

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::donorRes_occludingRes_geometric_sol_one_way ( conformation::Residue const &  don_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References get_atom_atom_geometric_solvation_for_donor(), core::conformation::Residue::Hpos_polar(), and core::conformation::Residue::nheavyatoms().

Referenced by res_res_geometric_sol_one_way().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::donorRes_occludingRes_geometric_sol_one_way_bb_bb ( conformation::Residue const &  don_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References core::conformation::Residue::atom_is_backbone(), get_atom_atom_geometric_solvation_for_donor(), core::conformation::Residue::Hpos_polar(), and core::conformation::Residue::nheavyatoms().

Referenced by geometric_sol_one_way_bb_bb().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::donorRes_occludingRes_geometric_sol_one_way_sc ( conformation::Residue const &  don_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inlineprivate

References core::conformation::Residue::atom_is_backbone(), core::conformation::Residue::first_sidechain_atom(), get_atom_atom_geometric_solvation_for_donor(), core::conformation::Residue::Hpos_polar(), core::conformation::Residue::nheavyatoms(), and start.

Referenced by geometric_sol_one_way_sc().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::donorRes_occludingRes_geometric_sol_RNA_intra ( conformation::Residue const &  rsd, pose::Pose const &  pose  ) const

private

References get_atom_atom_geometric_solvation_for_donor(), core::conformation::Residue::Hpos_polar(), core::chemical::rna::Is_base_phosphate_atom_pair(), and core::conformation::Residue::nheavyatoms().

Referenced by eval_intrares_energy().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::eval_atom_derivative	(	id::AtomID const &	atom_id,
		pose::Pose const &	pose,
		kinematics::DomainMap const &	,
		ScoreFunction const &	,
		EnergyMap const &	weights,
		Vector &	F1,
		Vector &	F2
	)		const

f1 and f2 are zeroed

References atom_is_acceptor(), atom_is_donor_h(), atom_is_heavy(), core::id::AtomID::atomno(), core::graph::Node::const_edge_list_end(), core::scoring::hbonds::HBondDerivs::don_deriv, core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), eval_atom_derivative_intra_RNA(), core::scoring::DerivVectorPair::f1(), core::scoring::DerivVectorPair::f2(), core::scoring::geom_sol, get_atom_atom_geometric_solvation_for_acceptor(), get_atom_atom_geometric_solvation_for_donor(), core::graph::Edge::get_node(), core::scoring::hbonds::HBondDerivs::h_deriv, j, core::pose::Pose::residue(), and core::id::AtomID::rsd().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::eval_atom_derivative_intra_RNA	(	id::AtomID const &	atom_id,
		pose::Pose const &	pose,
		EnergyMap const &	weights,
		Vector &	F1,
		Vector &	F2
	)		const

References atom_is_acceptor(), atom_is_donor_h(), atom_is_heavy(), core::id::AtomID::atomno(), core::scoring::hbonds::HBondDerivs::don_deriv, core::scoring::DerivVectorPair::f1(), core::scoring::DerivVectorPair::f2(), core::scoring::geom_sol_intra_RNA, get_atom_atom_geometric_solvation_for_acceptor(), get_atom_atom_geometric_solvation_for_donor(), core::scoring::hbonds::HBondDerivs::h_deriv, core::chemical::rna::Is_base_phosphate_atom_pair(), core::pose::Pose::residue(), core::id::AtomID::rsd(), and verbose_.

Referenced by eval_atom_derivative().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::eval_atom_energy	(	id::AtomID const &	atom_id,
		pose::Pose const &	pose
	)		const

References atom_is_acceptor(), atom_is_donor_h(), core::id::AtomID::atomno(), core::graph::Node::const_edge_list_end(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), get_atom_atom_geometric_solvation_for_acceptor(), get_atom_atom_geometric_solvation_for_donor(), core::graph::Edge::get_node(), j, core::pose::Pose::residue(), and core::id::AtomID::rsd().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::eval_intrares_energy	(	conformation::Residue const &	rsd,
		pose::Pose const &	pose,
		ScoreFunction const &	,
		EnergyMap &	emap
	)		const

References acceptorRes_occludingRes_geometric_sol_RNA_intra(), donorRes_occludingRes_geometric_sol_RNA_intra(), core::scoring::geom_sol_intra_RNA, and core::conformation::Residue::is_RNA().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::geometric_sol_one_way_bb_bb	(	conformation::Residue const &	polar_rsd,
		conformation::Residue const &	occ_rsd,
		pose::Pose const &	pose
	)		const

References acceptorRes_occludingRes_geometric_sol_one_way_bb_bb(), and donorRes_occludingRes_geometric_sol_one_way_bb_bb().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::geometric_sol_one_way_sc	(	conformation::Residue const &	polar_rsd,
		conformation::Residue const &	occ_rsd,
		pose::Pose const &	pose
	)		const

References acceptorRes_occludingRes_geometric_sol_one_way_sc(), and donorRes_occludingRes_geometric_sol_one_way_sc().

Vector core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_acceptor_base_atm_xyz ( conformation::Residue const &  acc_rsd, Size const &  acc_atm  ) const

inlineprivate

References core::conformation::Residue::abase2(), core::conformation::Residue::atom(), core::conformation::Residue::atom_base(), core::conformation::Residue::atom_type(), correct_geom_sol_acceptor_base_, core::chemical::AtomType::hybridization(), core::scoring::hbonds::make_hbBasetoAcc_unitvector(), options_, xyz, core::conformation::Atom::xyz(), and core::conformation::Residue::xyz().

Referenced by get_atom_atom_geometric_solvation_for_acceptor().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_atom_atom_geometric_solvation_for_acceptor ( Size const &  acc_atm, conformation::Residue const &  acc_rsd, Size const &  occ_atm, conformation::Residue const &  occ_rsd, pose::Pose const &  pose, Real &  energy, bool const  update_deriv = false, hbonds::HBondDerivs &  deriv = hbonds::DUMMY_DERIVS  ) const

inline

References core::scoring::hbonds::HBondSet::acc_bbg_in_bb_bb_hbond(), core::conformation::Residue::atom(), core::conformation::Residue::atom_base(), atom_is_acceptor(), core::conformation::Residue::atom_is_backbone(), atom_is_donor(), core::conformation::Residue::atom_name(), core::scoring::Energies::data(), dist_cut2_, core::pose::Pose::energies(), core::scoring::hbonds::HBEvalTuple::eval_type(), basic::datacache::BasicDataCache::get(), get_acceptor_base_atm_xyz(), core::scoring::hbonds::get_hb_acc_chem_type(), core::scoring::hbonds::hbdon_H2O, core::scoring::EnergiesCacheableDataType::HBOND_SET, core::conformation::Residue::is_protein(), core::conformation::Residue::is_virtual(), core::conformation::Residue::name1(), occluded_water_hbond_penalty(), options_, core::conformation::Residue::path_distance(), core::scoring::hbonds::seq_sep_other, core::conformation::Residue::seqpos(), core::scoring::Energies::tenA_neighbor_graph(), core::scoring::geometric_solvation::tr, verbose_, core::conformation::Atom::xyz(), and core::scoring::hbonds::ZERO_DERIV2D.

Referenced by acceptorRes_occludingRes_geometric_sol_one_way(), acceptorRes_occludingRes_geometric_sol_one_way_bb_bb(), acceptorRes_occludingRes_geometric_sol_one_way_sc(), acceptorRes_occludingRes_geometric_sol_RNA_intra(), eval_atom_derivative(), eval_atom_derivative_intra_RNA(), and eval_atom_energy().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_atom_atom_geometric_solvation_for_donor	(	Size const &	don_h_atm,
		conformation::Residue const &	don_rsd,
		Size const &	occ_atm,
		conformation::Residue const &	occ_rsd,
		pose::Pose const &	pose,
		Real &	energy,
		bool const	update_deriv = false,
		hbonds::HBondDerivs &	deriv = hbonds::DUMMY_DERIVS
	)		const

References core::conformation::Residue::atom(), core::conformation::Residue::atom_base(), atom_is_acceptor(), core::conformation::Residue::atom_is_backbone(), atom_is_donor_h(), core::conformation::Residue::atom_name(), core::scoring::Energies::data(), dist_cut2_, core::scoring::hbonds::HBondSet::don_bbg_in_bb_bb_hbond(), core::pose::Pose::energies(), core::scoring::hbonds::HBEvalTuple::eval_type(), basic::datacache::BasicDataCache::get(), core::scoring::hbonds::hbacc_HXL, core::scoring::hbonds::hbdon_HXL, core::scoring::EnergiesCacheableDataType::HBOND_SET, core::conformation::Residue::is_protein(), core::conformation::Residue::is_virtual(), core::conformation::Residue::name1(), occluded_water_hbond_penalty(), options_, core::scoring::hbonds::seq_sep_other, core::conformation::Residue::seqpos(), core::scoring::Energies::tenA_neighbor_graph(), core::scoring::geometric_solvation::tr, verbose_, core::conformation::Atom::xyz(), and core::scoring::hbonds::ZERO_DERIV2D.

Referenced by donorRes_occludingRes_geometric_sol_one_way(), donorRes_occludingRes_geometric_sol_one_way_bb_bb(), donorRes_occludingRes_geometric_sol_one_way_sc(), donorRes_occludingRes_geometric_sol_RNA_intra(), eval_atom_derivative(), eval_atom_derivative_intra_RNA(), and eval_atom_energy().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_water_cos ( Vector const &  base_atm_xyz, Vector const &  polar_atm_xyz, Vector const &  occluding_atm_xyz  ) const

inlineprivate

Compute the cosine required for calling water Hbond energies.

References dot(), and normalize.

Referenced by occluded_water_hbond_penalty().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty ( bool const &  is_donor, hbonds::HBEvalTuple const &  hbond_eval_type, Vector const &  polar_atm_xyz, Vector const &  base_atm_xyz, Vector const &  occluding_atm_xyz, Size const &  polar_nb, Size const &  occ_nb, bool const  update_deriv = false, hbonds::HBondDerivs &  deriv = hbonds::DUMMY_DERIVS  ) const

inlineprivate

References core::scoring::hbonds::HBondDerivs::don_deriv, core::scoring::DerivVectorPair::f1(), core::scoring::DerivVectorPair::f2(), geometric_sol_scale_, core::scoring::hbonds::get_environment_dependent_weight(), get_water_cos(), core::scoring::hbonds::HBondDerivs::h_deriv, hb_database_, core::scoring::hbonds::hb_energy_deriv(), core::scoring::hbonds::hbderiv_ABE_GO_NO_xD, core::scoring::hbonds::hbderiv_ABE_GO_NO_xH, core::scoring::hbonds::hbond_compute_energy(), length, core::scoring::hbonds::MAX_R2, core::scoring::hbonds::MAX_xD, core::scoring::hbonds::MAX_xH, core::scoring::hbonds::MIN_R2, core::scoring::hbonds::MIN_xD, core::scoring::hbonds::MIN_xH, options_, set_water_base_atm(), core::scoring::geometric_solvation::tr, verbose_, and core::scoring::hbonds::ZERO_DERIV2D.

Referenced by get_atom_atom_geometric_solvation_for_acceptor(), and get_atom_atom_geometric_solvation_for_donor().

Real core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::res_res_geometric_sol_one_way ( conformation::Residue const &  polar_rsd, conformation::Residue const &  occ_rsd, pose::Pose const &  pose  ) const

inline

References acceptorRes_occludingRes_geometric_sol_one_way(), and donorRes_occludingRes_geometric_sol_one_way().

Referenced by residue_pair_energy().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::residue_pair_energy	(	conformation::Residue const &	rsd1,
		conformation::Residue const &	rsd2,
		pose::Pose const &	pose,
		ScoreFunction const &	,
		EnergyMap &	emap
	)		const

Everything in here.

References core::scoring::geom_sol, res_res_geometric_sol_one_way(), and core::conformation::Residue::seqpos().

void core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::set_water_base_atm ( Vector const &  base_v, Vector const &  atom_v, Vector const &  water_v, Vector &  water_base_v, Real const &  xH, Distance const &  bond_length  ) const

inlineprivate

References cross(), and numeric::xyzVector< class >::normalize().

Referenced by occluded_water_hbond_penalty().

Member Data Documentation

bool const core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::correct_geom_sol_acceptor_base_

private

Referenced by get_acceptor_base_atm_xyz().

Real const core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::dist_cut2_

private

Referenced by get_atom_atom_geometric_solvation_for_acceptor(), and get_atom_atom_geometric_solvation_for_donor().

Real const core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::geometric_sol_scale_

private

Referenced by occluded_water_hbond_penalty().

hbonds::HBondDatabaseCOP core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::hb_database_

private

Referenced by occluded_water_hbond_penalty().

methods::EnergyMethodOptionsOP core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::options_

private

Referenced by GeometricSolEnergyEvaluator(), get_acceptor_base_atm_xyz(), get_atom_atom_geometric_solvation_for_acceptor(), get_atom_atom_geometric_solvation_for_donor(), and occluded_water_hbond_penalty().

bool const core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::verbose_

private

Referenced by eval_atom_derivative_intra_RNA(), get_atom_atom_geometric_solvation_for_acceptor(), get_atom_atom_geometric_solvation_for_donor(), and occluded_water_hbond_penalty().

---

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

• symlinks/rosetta/src/core/scoring/geometric_solvation/GeometricSolEnergyEvaluator.hh
• symlinks/rosetta/src/core/scoring/geometric_solvation/GeometricSolEnergyEvaluator.cc