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 111 of file compound.hh.

Constructor & Destructor Documentation

◆ BondSpec() [1/2]

BondSpec ( )

Definition at line 112 of file compound.hh.

◆ BondSpec() [2/2]

BondSpec ( int  a,
int  b,
int  o 

Definition at line 119 of file compound.hh.

Member Function Documentation

◆ operator!=()

bool operator!= ( const BondSpec rhs) const

Definition at line 124 of file compound.hh.

◆ operator==()

bool operator== ( const BondSpec rhs) const

Definition at line 120 of file compound.hh.

Field Documentation

◆ atom_one

int atom_one

Definition at line 127 of file compound.hh.

◆ atom_two

int atom_two

Definition at line 128 of file compound.hh.

◆ order

int order

Definition at line 129 of file compound.hh.

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