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Public Member Functions | Data Fields
AtomSpec Struct Reference

#include <compound.hh>

Public Member Functions

 AtomSpec ()
 AtomSpec (int o, const String &n, const String &a, const String &e, bool l, bool r)
bool operator== (const AtomSpec &rhs) const
bool operator!= (const AtomSpec &rhs) const

Data Fields

int ordinal
String name
String alt_name
String element
bool is_leaving
bool is_aromatic

Detailed Description

Definition at line 72 of file compound.hh.


Constructor & Destructor Documentation

AtomSpec ( )
inline

Definition at line 73 of file compound.hh.

AtomSpec ( int  o,
const String n,
const String a,
const String e,
bool  l,
bool  r 
)
inline

Definition at line 82 of file compound.hh.


Member Function Documentation

bool operator!= ( const AtomSpec rhs) const
inline

Definition at line 102 of file compound.hh.

bool operator== ( const AtomSpec rhs) const
inline

Definition at line 97 of file compound.hh.


Field Documentation

String alt_name

Definition at line 93 of file compound.hh.

String element

Definition at line 94 of file compound.hh.

bool is_aromatic

Definition at line 96 of file compound.hh.

bool is_leaving

Definition at line 95 of file compound.hh.

String name

Definition at line 92 of file compound.hh.

int ordinal

Definition at line 91 of file compound.hh.


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