#include "common.h"#include <vector>Go to the source code of this file.
Classes | |
| struct | atom_name_info |
| struct | atom_constants |
| struct | bond |
| struct | angle |
| struct | dihedral |
| struct | improper |
| struct | crossterm |
| class | Exclusion |
| class | TupleSignature |
| class | AtomSignature |
| struct | AtomNameIdx |
| struct | AtomCstInfo |
| struct | ExclusionSignature |
Defines | |
| #define | UnknownAtom 0x00 |
| #define | HydrogenAtom 0x01 |
| #define | OxygenAtom 0x02 |
| #define | HBDonorAtom 0x04 |
| #define | HBAcceptorAtom 0x08 |
| #define | HBAntecedentAtom 0x10 |
| #define | HBHydrogenAtom 0x20 |
| #define | LonepairAtom 0x40 |
| #define | CMPSIGS(TUPLE) |
Typedefs | |
| typedef unsigned short | Index |
| typedef atom_name_info | AtomNameInfo |
| typedef atom_constants | Atom |
| typedef bond | Bond |
| typedef angle | Angle |
| typedef dihedral | Dihedral |
| typedef improper | Improper |
| typedef crossterm | Crossterm |
Enumerations | |
| enum | TupleSigType { BOND = 0, ANGLE, DIHEDRAL, IMPROPER, DONOR, ACCEPTOR, CROSSTERM, EXCLUSION } |
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Value: for(int i=0; i<sig.TUPLE##Cnt; i++){ \ if(!(TUPLE##Sigs[i]==sig.TUPLE##Sigs[i])) return 0; \ } \ Referenced by AtomSignature::operator==(). |
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Definition at line 20 of file structures.h. |
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Definition at line 21 of file structures.h. |
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Definition at line 19 of file structures.h. |
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Definition at line 22 of file structures.h. |
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Definition at line 17 of file structures.h. |
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Definition at line 23 of file structures.h. |
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Definition at line 18 of file structures.h. |
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Definition at line 16 of file structures.h. |
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Referenced by Molecule::read_parm(). |
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Definition at line 123 of file structures.h.
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1.3.9.1