OEConfBaseT

template<class C, unsigned int dim>
class OEConfBaseT : public OEMolBase

This class represents OEConfBaseT.

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

operator=

OEConfBaseT<C, dim> &operator=(const OEMolBase &rhs)
OEConfBaseT &operator=(const OEConfBaseT<C, dim> &rhs)

operator C *

operator C *() const =0

operator bool

operator bool() const =0

AddAtom

void AddAtom(OEAtomBase *atom)=0
void AddAtom(const OEAtomBase *rhs, OEAtomBase *atom)=0

AddBond

void AddBond(OEBondBase *bond)=0

Clear

void Clear()=0

Compress

bool Compress()=0

Count

unsigned int Count(unsigned int) const =0

CreateCopy

OESystem::OEBase *CreateCopy() const

Delete

void Delete()=0

DeleteAtom

bool DeleteAtom(OEAtomBase *)=0

DeleteBond

bool DeleteBond(OEBondBase *)=0

GetAtom

OEAtomBase *
  GetAtom(const OESystem::OEUnaryPredicate<OEChem::OEAtomBase> &) const =0

GetAtoms

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

GetBond

OEBondBase *GetBond(const OEAtomBase *, const OEAtomBase *) const =0
OEBondBase *
  GetBond(const OESystem::OEUnaryPredicate<OEChem::OEBondBase> &) const =0

GetBonds

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

GetCoords

bool GetCoords(float *) const =0
bool GetCoords(double *) const =0
bool GetCoords(const OEAtomBase *, float *) const =0
bool GetCoords(const OEAtomBase *, double *) const =0

GetDataType

const void *GetDataType() const =0

GetDimension

unsigned int GetDimension() const =0

GetEnergy

double GetEnergy() const =0

GetIdx

unsigned int GetIdx() const =0

GetMCMol

OEMCMolBaseT<C, dim> &GetMCMol() const =0

GetMaxAtomIdx

unsigned int GetMaxAtomIdx() const =0

GetMaxBondIdx

unsigned int GetMaxBondIdx() const =0

GetTitle

const char *GetTitle() const =0

GetTorsion

double GetTorsion(OETorsion &) const =0
double GetTorsion(const OEAtomBase *a, const OEAtomBase *b, const OEAtomBase *c,
                  const OEAtomBase *d) const =0

GetTransform

const OETrans &GetTransform() const =0

HasPerceived

bool HasPerceived(unsigned int) const =0

HasTitle

bool HasTitle() const =0

IsDataType

bool IsDataType(const void *type) const

IsDeleted

bool IsDeleted() const =0
bool IsDeleted(OEAtomBase *) const =0
bool IsDeleted(OEBondBase *) const =0

IsRxn

bool IsRxn() const =0

NewAtom

OEAtomBase *NewAtom(unsigned int)=0
OEAtomBase *NewAtom(const OEAtomBase &)=0

NewBond

OEBondBase *NewBond(OEAtomBase *, OEAtomBase *, unsigned int order=0)=0

NumAtoms

unsigned int NumAtoms() const =0

NumBonds

unsigned int NumBonds() const =0

OrderAtoms

bool OrderAtoms(const OETYPENAME std::vector<OEAtomBase *> &)=0

OrderBonds

bool OrderBonds(const OETYPENAME std::vector<OEBondBase *> &)=0

RemoveAtom

bool RemoveAtom(OEAtomBase *atom)=0

RemoveBond

bool RemoveBond(OEBondBase *bond)=0

ResetPerceived

void ResetPerceived()=0

SetCoords

bool SetCoords(const float *)=0
bool SetCoords(const double *)=0
bool SetCoords(const OEAtomBase *, const float *)=0
bool SetCoords(const OEAtomBase *, const double *)=0

SetDimension

bool SetDimension(unsigned int)=0

SetEnergy

bool SetEnergy(float)=0
bool SetEnergy(double)=0

SetIdx

void SetIdx(unsigned int)=0

SetMCMol

void SetMCMol(OEMCMolBaseT<C, dim> &)=0

SetPerceived

bool SetPerceived(unsigned int, bool)=0

SetRxn

bool SetRxn(bool)=0

SetTitle

bool SetTitle(const char *)=0
bool SetTitle(const OETYPENAME std::string &)=0

SetTorsion

void SetTorsion(OETorsion &)=0
void SetTorsion(OEAtomBase *a, OEAtomBase *b, OEAtomBase *c, OEAtomBase *d,
                double radians)=0

Sweep

bool Sweep()=0
bool Sweep(const unsigned int *)=0

Transform

void Transform(const OETrans &)=0
void Transform(const OETransBase *)=0

UnCompress

bool UnCompress()=0