patty.h File Reference

#include <openbabel/parsmart.h>

Go to the source code of this file.

Classes
class	patty

Namespaces
	OpenBabel

Macros
#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

Detailed Description

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

Macro Definition Documentation

PT_CATION

#define PT_CATION   1

Referenced by patty::type_to_int().

PT_ANION

#define PT_ANION   2

Referenced by patty::type_to_int().

PT_ACCEPTOR

#define PT_ACCEPTOR   3

Referenced by patty::type_to_int().

PT_POLAR

#define PT_POLAR   4

Referenced by patty::type_to_int().

PT_DONOR

#define PT_DONOR   5

Referenced by patty::type_to_int().

PT_HYDROPHOBIC

#define PT_HYDROPHOBIC   6

Referenced by patty::type_to_int().

PT_OTHER

#define PT_OTHER   7

Referenced by patty::type_to_int().

PT_METAL

#define PT_METAL   8

Referenced by patty::type_to_int().