biogears::SESubstancePhysicochemicals Class Reference

#include <SESubstancePhysicochemicals.h>

Inheritance diagram for biogears::SESubstancePhysicochemicals:

Public Member Functions
	SESubstancePhysicochemicals (Logger *logger)
virtual	~SESubstancePhysicochemicals ()
virtual void	Clear ()
virtual bool	IsValid () const
virtual const SEScalar *	GetScalar (const char *name)
virtual const SEScalar *	GetScalar (const std::string &name)
virtual bool	Load (const CDM::SubstancePhysicochemicalData &in)
virtual CDM::SubstancePhysicochemicalData *	Unload () const
virtual bool	HasPrimaryPKA () const
virtual SEScalar &	GetPrimaryPKA ()
virtual double	GetPrimaryPKA () const
virtual bool	HasSecondaryPKA () const
virtual SEScalar &	GetSecondaryPKA ()
virtual double	GetSecondaryPKA () const
virtual CDM::enumSubstanceBindingProtein::value	GetBindingProtein () const
virtual void	SetBindingProtein (CDM::enumSubstanceBindingProtein::value state)
virtual bool	HasBindingProtein () const
virtual void	InvalidateBindingProtein ()
virtual bool	HasBloodPlasmaRatio () const
virtual SEScalar &	GetBloodPlasmaRatio ()
virtual double	GetBloodPlasmaRatio () const
virtual bool	HasFractionUnboundInPlasma () const
virtual SEScalarFraction &	GetFractionUnboundInPlasma ()
virtual double	GetFractionUnboundInPlasma () const
virtual CDM::enumSubstanceIonicState::value	GetIonicState () const
virtual void	SetIonicState (CDM::enumSubstanceIonicState::value state)
virtual bool	HasIonicState () const
virtual void	InvalidateIonicState ()
virtual bool	HasLogP () const
virtual SEScalar &	GetLogP ()
virtual double	GetLogP () const
virtual bool	HasHydrogenBondCount () const
virtual SEScalar &	GetHydrogenBondCount ()
virtual double	GetHydrogenBondCount () const
virtual bool	HasPolarSurfaceArea () const
virtual SEScalar &	GetPolarSurfaceArea ()
virtual double	GetPolarSurfaceArea () const
Public Member Functions inherited from biogears::Loggable
	Loggable ()
	Loggable (Logger *log)
virtual	~Loggable ()
virtual Logger *	GetLogger () const

Protected Member Functions
virtual void	Unload (CDM::SubstancePhysicochemicalData &data) const
Protected Member Functions inherited from biogears::Loggable
virtual void	Debug (const char *msg, const char *origin="") const
virtual void	Debug (const std::string &msg, const std::string &origin=empty) const
virtual void	Debug (std::ostream &msg, const std::string &origin=empty) const
virtual void	Info (const char *msg, const char *origin="") const
virtual void	Info (const std::string &msg, const std::string &origin=empty) const
virtual void	Info (std::ostream &msg, const std::string &origin=empty) const
virtual void	Warning (const char *msg, const char *origin="") const
virtual void	Warning (const std::string &msg, const std::string &origin=empty) const
virtual void	Warning (std::ostream &msg, const std::string &origin=empty) const
virtual void	Error (const char *msg, const char *origin="") const
virtual void	Error (const std::string msg, const std::string origin=empty) const
virtual void	Error (std::ostream &msg, const std::string &origin=empty) const
virtual void	Fatal (const char *msg, const char *origin="") const
virtual void	Fatal (const std::string &msg, const std::string &origin=empty) const
virtual void	Fatal (std::ostream &msg, const std::string &origin=empty) const

Protected Attributes
std::vector< SEScalar * >	m_AcidDissociationConstants
CDM::enumSubstanceBindingProtein::value	m_BindingProtein
SEScalar *	m_BloodPlasmaRatio
SEScalarFraction *	m_FractionUnboundInPlasma
CDM::enumSubstanceIonicState::value	m_IonicState
SEScalar *	m_LogP
SEScalar *	m_HydrogenBondCount
SEScalar *	m_PolarSurfaceArea
Protected Attributes inherited from biogears::Loggable
Logger *	m_Logger

Additional Inherited Members
Static Public Attributes inherited from biogears::Loggable
static const std::string	empty
static const char *	empty_cStr

Constructor & Destructor Documentation

biogears::SESubstancePhysicochemicals::SESubstancePhysicochemicals

(

Logger *

logger

)

biogears::SESubstancePhysicochemicals::~SESubstancePhysicochemicals ( )

virtual

Member Function Documentation

void biogears::SESubstancePhysicochemicals::Clear ( )

virtual

CDM::enumSubstanceBindingProtein::value biogears::SESubstancePhysicochemicals::GetBindingProtein ( ) const

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetBloodPlasmaRatio ( )

virtual

double biogears::SESubstancePhysicochemicals::GetBloodPlasmaRatio ( ) const

virtual

SEScalarFraction & biogears::SESubstancePhysicochemicals::GetFractionUnboundInPlasma ( )

virtual

double biogears::SESubstancePhysicochemicals::GetFractionUnboundInPlasma ( ) const

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetHydrogenBondCount ( )

virtual

double biogears::SESubstancePhysicochemicals::GetHydrogenBondCount ( ) const

virtual

CDM::enumSubstanceIonicState::value biogears::SESubstancePhysicochemicals::GetIonicState ( ) const

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetLogP ( )

virtual

double biogears::SESubstancePhysicochemicals::GetLogP ( ) const

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetPolarSurfaceArea ( )

virtual

double biogears::SESubstancePhysicochemicals::GetPolarSurfaceArea ( ) const

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetPrimaryPKA ( )

virtual

double biogears::SESubstancePhysicochemicals::GetPrimaryPKA ( ) const

virtual

const SEScalar * biogears::SESubstancePhysicochemicals::GetScalar ( const char *  name )

virtual

const SEScalar * biogears::SESubstancePhysicochemicals::GetScalar ( const std::string &  name )

virtual

SEScalar & biogears::SESubstancePhysicochemicals::GetSecondaryPKA ( )

virtual

double biogears::SESubstancePhysicochemicals::GetSecondaryPKA ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasBindingProtein ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasBloodPlasmaRatio ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasFractionUnboundInPlasma ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasHydrogenBondCount ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasIonicState ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasLogP ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasPolarSurfaceArea ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasPrimaryPKA ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::HasSecondaryPKA ( ) const

virtual

void biogears::SESubstancePhysicochemicals::InvalidateBindingProtein ( )

virtual

void biogears::SESubstancePhysicochemicals::InvalidateIonicState ( )

virtual

bool biogears::SESubstancePhysicochemicals::IsValid ( ) const

virtual

bool biogears::SESubstancePhysicochemicals::Load ( const CDM::SubstancePhysicochemicalData &  in )

virtual

void biogears::SESubstancePhysicochemicals::SetBindingProtein ( CDM::enumSubstanceBindingProtein::value  state )

virtual

void biogears::SESubstancePhysicochemicals::SetIonicState ( CDM::enumSubstanceIonicState::value  state )

virtual

CDM::SubstancePhysicochemicalData * biogears::SESubstancePhysicochemicals::Unload ( ) const

virtual

void biogears::SESubstancePhysicochemicals::Unload ( CDM::SubstancePhysicochemicalData &  data ) const

protectedvirtual

Member Data Documentation

std::vector<SEScalar*> biogears::SESubstancePhysicochemicals::m_AcidDissociationConstants

protected

CDM::enumSubstanceBindingProtein::value biogears::SESubstancePhysicochemicals::m_BindingProtein

protected

SEScalar* biogears::SESubstancePhysicochemicals::m_BloodPlasmaRatio

protected

SEScalarFraction* biogears::SESubstancePhysicochemicals::m_FractionUnboundInPlasma

protected

SEScalar* biogears::SESubstancePhysicochemicals::m_HydrogenBondCount

protected

CDM::enumSubstanceIonicState::value biogears::SESubstancePhysicochemicals::m_IonicState

protected

SEScalar* biogears::SESubstancePhysicochemicals::m_LogP

protected

SEScalar* biogears::SESubstancePhysicochemicals::m_PolarSurfaceArea

protected