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Public Member Functions | Public Attributes | List of all members
protocols::qsar::scoring_grid::ChargeAtom Struct Reference

a very light representation of an atom that is just a charge and a cartesian space position More...

#include <ChargeGrid.hh>

Public Member Functions

 ChargeAtom (core::Vector const &in_xyz, core::Real const &in_charge, core::Size const &nc)
 
 ChargeAtom ()
 
utility::json_spirit::Value serialize () const
 
void deserialize (utility::json_spirit::mObject data)
 

Public Attributes

core::Vector xyz
 
core::Real charge
 
core::Size neighbor_count
 

Detailed Description

a very light representation of an atom that is just a charge and a cartesian space position

Constructor & Destructor Documentation

protocols::qsar::scoring_grid::ChargeAtom::ChargeAtom ( core::Vector const &  in_xyz,
core::Real const &  in_charge,
core::Size const &  nc 
)
inline

References charge, and neighbor_count.

protocols::qsar::scoring_grid::ChargeAtom::ChargeAtom ( )
inline

References charge, and neighbor_count.

Member Function Documentation

void protocols::qsar::scoring_grid::ChargeAtom::deserialize ( utility::json_spirit::mObject  data)
utility::json_spirit::Value protocols::qsar::scoring_grid::ChargeAtom::serialize ( ) const

References charge, neighbor_count, and xyz.

Member Data Documentation

core::Real protocols::qsar::scoring_grid::ChargeAtom::charge
core::Size protocols::qsar::scoring_grid::ChargeAtom::neighbor_count
core::Vector protocols::qsar::scoring_grid::ChargeAtom::xyz

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