patty.h File Reference

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

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Namespaces

namespace  OpenBabel

Classes

class  patty
 Programmable Atom Typer. More...

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

#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