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Public Member Functions | Public Attributes | Static Public Attributes | List of all members
core::scoring::PQR Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::PQR:
Inheritance graph
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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::Realx
 
std::vector< core::Realy
 
std::vector< core::Realz
 
std::vector< core::Realcharge
 
std::vector< core::Realradius
 

Static Public Attributes

static std::string const chains
 

Detailed Description


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 
)
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().


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