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Public Member Functions | Data Fields
BondSpec Struct Reference

#include <compound.hh>

Public Member Functions

 BondSpec ()
 
 BondSpec (int a, int b, int o)
 
bool operator== (const BondSpec &rhs) const
 
bool operator!= (const BondSpec &rhs) const
 

Data Fields

int atom_one
 
int atom_two
 
int order
 

Detailed Description

Definition at line 108 of file compound.hh.

Constructor & Destructor Documentation

BondSpec ( )
inline

Definition at line 109 of file compound.hh.

BondSpec ( int  a,
int  b,
int  o 
)
inline

Definition at line 116 of file compound.hh.

Member Function Documentation

bool operator!= ( const BondSpec rhs) const
inline

Definition at line 121 of file compound.hh.

bool operator== ( const BondSpec rhs) const
inline

Definition at line 117 of file compound.hh.

Field Documentation

int atom_one

Definition at line 124 of file compound.hh.

int atom_two

Definition at line 125 of file compound.hh.

int order

Definition at line 126 of file compound.hh.


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