#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 |
Definition at line 72 of file compound.hh.
AtomSpec | ( | ) | [inline] |
Definition at line 73 of file compound.hh.
Definition at line 82 of file compound.hh.
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.
Definition at line 93 of file compound.hh.
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.
Definition at line 92 of file compound.hh.
int ordinal |
Definition at line 91 of file compound.hh.