core::scoring::PQR Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::PQR:

Public Member Functions
	PQR (pose::Pose const &pose, int natoms, id::AtomID_Map< bool > const &charged_atoms, id::AtomID_Map< bool > const &present_atoms)
	~PQR () override
int	get_natoms ()

Public Attributes
int	natoms_
std::vector< core::Real >	x
std::vector< core::Real >	y
std::vector< core::Real >	z
std::vector< core::Real >	charge
std::vector< core::Real >	radius

Static Public Attributes
static std::string const	chains

Detailed Description

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PQR

Constructor & Destructor Documentation

core::scoring::PQR::PQR	(	pose::Pose const &	pose,
		int	natoms,
		id::AtomID_Map< bool > const &	charged_atoms,
		id::AtomID_Map< bool > const &	present_atoms
	)

References core::conformation::Residue::atom(), core::chemical::ResidueType::atom_charge(), core::conformation::Residue::atom_type(), core::conformation::Residue::chain(), chains, charge, core::chemical::AtomType::is_virtual(), core::chemical::AtomType::lj_radius(), core::conformation::Residue::natoms(), radius, core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::Pose::size(), x, y, and z.

core::scoring::PQR::~PQR ( )

overridedefault

Member Function Documentation

int core::scoring::PQR::get_natoms ( )

inline

References natoms_.

Member Data Documentation

std::string const core::scoring::PQR::chains

static

Referenced by PQR().

std::vector<core::Real> core::scoring::PQR::charge

Referenced by PQR().

int core::scoring::PQR::natoms_

Referenced by get_natoms().

std::vector<core::Real> core::scoring::PQR::radius

Referenced by PQR().

std::vector<core::Real> core::scoring::PQR::x

Referenced by PQR().

std::vector<core::Real> core::scoring::PQR::y

Referenced by PQR().

std::vector<core::Real> core::scoring::PQR::z

Referenced by PQR().

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

• src/core/scoring/APBSWrapper.hh
• src/core/scoring/APBSWrapper.cc