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CStructure Class Reference

contains static informations about structure and connectors More...

#include <Structure.h>

Collaboration diagram for CStructure:

Collaboration graph
[legend]
List of all members.

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

Detailed Description

contains static informations about structure and connectors

CONNECTOR - is atom whith Z == 0 MASTER ATOM - has Z == -1 (not define)


The documentation for this class was generated from the following file:
Generated on Sun Feb 9 12:59:48 2003 for NemesisCore by doxygen1.3-rc2