#include <Structure.h>
Collaboration diagram for CStructure:
Public Types | |
enum | EConnectorMode { Manual = 0, Auto } |
Public Methods | |
bool __fastcall | Load (CMolecule *p_mol) |
bool __fastcall | Load (const CSmallString &name) |
bool __fastcall | Save (const CSmallString &name) |
bool __fastcall | Load (CXMLElement *p_element) |
bool __fastcall | Save (CXMLElement *p_element) |
void __fastcall | Clear (void) |
bool __fastcall | IsEmpty (void) const |
void __fastcall | SetFirstConnector (void) |
void __fastcall | SetNextConnector (void) |
bool __fastcall | SetBestConnector (EBondOrder order) |
int __fastcall | GetNumOfUserConnectors (void) |
int __fastcall | GetIndexOfConnector (void) |
int __fastcall | GetConnector (void) |
int __fastcall | GetConnector (int index) |
void __fastcall | SetConnectorField (int *p_field, int num) |
void __fastcall | SetConnectorMode (EConnectorMode mode) |
EConnectorMode __fastcall | GetConnectorMode (void) |
void __fastcall | SetZOfMasterAtom (int z) |
int __fastcall | GetZOfMasterAtom (void) const |
int __fastcall | GetNumOfAtoms (void) const |
int __fastcall | GetNumOfBonds (void) const |
CAtomData &__fastcall | GetAtomData (int i) const |
CBondData &__fastcall | GetBondData (int i) const |
int __fastcall | GetOppositeAtom (int at, int index=1) |
int __fastcall | GetAtomDataFromIndex (int atomindex) |
Public Attributes | |
CSmallString | Name |
CONNECTOR - is atom whith Z == 0 MASTER ATOM - has Z == -1 (not define)