OEQMolBase

class OEQMolBase : public OEMolBase

This class represents OEQMolBase.

The following methods are publicly inherited from OEMolBase:

operator=	GetDimension	OrderAtoms
operator bool	GetEnergy	OrderBonds
Clear	GetMaxAtomIdx	ResetPerceived
Compress	GetMaxBondIdx	SetCoords
Count	GetTitle	SetDimension
CreateCopy	HasPerceived	SetEnergy
DeleteAtom	IsDataType	SetPerceived
DeleteBond	IsDeleted	SetRxn
GetAtom	IsRxn	SetTitle
GetAtoms	NewAtom	Sweep
GetBond	NewBond	UnCompress
GetBonds	NumAtoms
GetCoords	NumBonds

The following methods are publicly inherited from OEBase:

operator=	GetData	IsDataType
operator+=	GetDataIter	SetBaseData
AddBaseData	GetDataType	SetBoolData
AddData	GetDoubleData	SetData
Clear	GetFloatData	SetDoubleData
CreateCopy	GetIntData	SetFloatData
DeleteData	GetStringData	SetIntData
GetBoolData	HasData	SetStringData

Constructors

OEQMolBase()
OEQMolBase(const OEMolBase &m)
OEQMolBase(const OEQMolBase &m)

Default and copy constructors.

operator=

OEQMolBase &operator=(const OEMolBase &m)
OEQMolBase &operator=(const OEQMolBase &m)

BuildExpressions

bool BuildExpressions(const OEMatchPair<OEExprBase> &)
bool BuildExpressions(unsigned int atomopts, unsigned int bondopts)

CreateCopy

OESystem::OEBase *CreateCopy() const

GetQAtoms

OESystem::OEIterBase<OEQAtomBase> *GetQAtoms() const =0
OESystem::OEIterBase<OEQAtomBase> *
  GetQAtoms(const OESystem::OEUnaryPredicate<OEChem::OEAtomBase> &) const =0

GetQBonds

OESystem::OEIterBase<OEQBondBase> *GetQBonds() const =0
OESystem::OEIterBase<OEQBondBase> *
  GetQBonds(const OESystem::OEUnaryPredicate<OEChem::OEBondBase> &) const =0

IsDataType

bool IsDataType(const void *) const