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Public Member Functions | Data Fields
AtomSpec Struct Reference

#include <compound.hh>

Public Member Functions

 AtomSpec ()
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 71 of file compound.hh.


Constructor & Destructor Documentation

AtomSpec ( )
inline

Definition at line 72 of file compound.hh.


Member Function Documentation

bool operator!= ( const AtomSpec rhs) const
inline

Definition at line 86 of file compound.hh.

bool operator== ( const AtomSpec rhs) const
inline

Definition at line 81 of file compound.hh.


Field Documentation

String alt_name

Definition at line 77 of file compound.hh.

String element

Definition at line 78 of file compound.hh.

bool is_aromatic

Definition at line 80 of file compound.hh.

bool is_leaving

Definition at line 79 of file compound.hh.

String name

Definition at line 76 of file compound.hh.

int ordinal

Definition at line 75 of file compound.hh.


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