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Public Member Functions | Private Attributes | List of all members
core::chemical::sdf::MolFileIOAtom Class Reference

#include <MolFileIOData.hh>

Inheritance diagram for core::chemical::sdf::MolFileIOAtom:
Inheritance graph
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Public Member Functions

 MolFileIOAtom ()
 
 ~MolFileIOAtom () override
 
AtomIndex index () const
 
std::string const & name () const
 
std::string const & element () const
 
Vector const & position () const
 
int formal_charge () const
 
core::Real partial_charge () const
 
void index (AtomIndex index)
 
void name (std::string const &name)
 
void element (std::string const &element)
 
void position (Vector const &position)
 
void formal_charge (int formal_charge)
 
void partial_charge (core::Real partial_charge)
 

Private Attributes

AtomIndex index_
 
std::string name_
 
Vector position_
 Need to pull from file. More...
 
std::string element_
 
int formal_charge_
 
core::Real partial_charge_
 

Constructor & Destructor Documentation

core::chemical::sdf::MolFileIOAtom::MolFileIOAtom ( )
core::chemical::sdf::MolFileIOAtom::~MolFileIOAtom ( )
overridedefault

Member Function Documentation

std::string const& core::chemical::sdf::MolFileIOAtom::element ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::element ( std::string const &  element)
inline

References element(), and element_.

int core::chemical::sdf::MolFileIOAtom::formal_charge ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::formal_charge ( int  formal_charge)
inline

References formal_charge(), and formal_charge_.

Referenced by formal_charge().

AtomIndex core::chemical::sdf::MolFileIOAtom::index ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::index ( AtomIndex  index)
inline

References index(), and index_.

Referenced by index().

std::string const& core::chemical::sdf::MolFileIOAtom::name ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::name ( std::string const &  name)
inline

References name(), and name_.

Referenced by name().

core::Real core::chemical::sdf::MolFileIOAtom::partial_charge ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::partial_charge ( core::Real  partial_charge)
inline

References partial_charge(), and partial_charge_.

Referenced by partial_charge().

Vector const& core::chemical::sdf::MolFileIOAtom::position ( ) const
inline
void core::chemical::sdf::MolFileIOAtom::position ( Vector const &  position)
inline

References position(), and position_.

Referenced by position().

Member Data Documentation

std::string core::chemical::sdf::MolFileIOAtom::element_
private

Referenced by element().

int core::chemical::sdf::MolFileIOAtom::formal_charge_
private

Referenced by formal_charge().

AtomIndex core::chemical::sdf::MolFileIOAtom::index_
private

Referenced by index().

std::string core::chemical::sdf::MolFileIOAtom::name_
private

Referenced by name().

core::Real core::chemical::sdf::MolFileIOAtom::partial_charge_
private

Referenced by partial_charge().

Vector core::chemical::sdf::MolFileIOAtom::position_
private

Need to pull from file.

Referenced by position().


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