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 |
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().
