patty.h File Reference

Programmable atom typer. (abbreviated P.At.Ty.) More...

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Classes
class	patty
	Programmable Atom Typer. More...
Namespaces
namespace	OpenBabel
Defines
#define	PT_CATION   1
#define	PT_ANION   2
#define	PT_ACCEPTOR   3
#define	PT_POLAR   4
#define	PT_DONOR   5
#define	PT_HYDROPHOBIC   6
#define	PT_OTHER   7
#define	PT_METAL   8

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Detailed Description

Programmable atom typer. (abbreviated P.At.Ty.)

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Define Documentation

#define PT_CATION   1

Referenced by patty::type_to_int().

#define PT_ANION   2

Referenced by patty::type_to_int().

#define PT_ACCEPTOR   3

Referenced by patty::type_to_int().

#define PT_POLAR   4

Referenced by patty::type_to_int().

#define PT_DONOR   5

Referenced by patty::type_to_int().

#define PT_HYDROPHOBIC   6

Referenced by patty::type_to_int().

#define PT_OTHER   7

Referenced by patty::type_to_int().

#define PT_METAL   8

Referenced by patty::type_to_int().