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 103 of file compound.hh.

bool operator== ( const AtomSpec rhs  )  const [inline]

Definition at line 97 of file compound.hh.


Field Documentation

Definition at line 93 of file compound.hh.

Definition at line 94 of file compound.hh.

Definition at line 96 of file compound.hh.

bool is_leaving

Definition at line 95 of file compound.hh.

Definition at line 92 of file compound.hh.

int ordinal

Definition at line 91 of file compound.hh.


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