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

Detailed Description

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


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().

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