RDKit::Descriptors::Properties Class Reference

Holds a collection of properties for computation purposes. More...

#include <Property.h>

Public Member Functions
	Properties ()
	Properties (const std::vector< std::string > &propNames)
std::vector< std::string >	getPropertyNames () const
std::vector< double >	computeProperties (const RDKit::ROMol &mol, bool annotate=false) const
void	annotateProperties (RDKit::ROMol &mol) const

Static Public Member Functions
static int	registerProperty (PropertyFunctor *ptr)
	Register a property function - takes ownership.
static boost::shared_ptr< PropertyFunctor >	getProperty (const std::string &name)
static std::vector< std::string >	getAvailableProperties ()

Static Public Attributes
static std::vector< boost::shared_ptr< PropertyFunctor > >	registry

Protected Attributes
std::vector< boost::shared_ptr< PropertyFunctor > >	m_properties

Detailed Description

Holds a collection of properties for computation purposes.

Definition at line 71 of file Property.h.

Constructor & Destructor Documentation

Properties() [1/2]

RDKit::Descriptors::Properties::Properties

(

)

Properties() [2/2]

RDKit::Descriptors::Properties::Properties

(

const std::vector< std::string > &

propNames

)

Member Function Documentation

annotateProperties()

void RDKit::Descriptors::Properties::annotateProperties

(

RDKit::ROMol &

mol

)

const

computeProperties()

std::vector< double > RDKit::Descriptors::Properties::computeProperties	(	const RDKit::ROMol &	mol,
		bool	annotate = false
	)		const

getAvailableProperties()

static std::vector< std::string > RDKit::Descriptors::Properties::getAvailableProperties ( )

static

getProperty()

static boost::shared_ptr< PropertyFunctor > RDKit::Descriptors::Properties::getProperty ( const std::string &  name )

static

Referenced by RDKit::Descriptors::makePropertyQuery().

getPropertyNames()

std::vector< std::string > RDKit::Descriptors::Properties::getPropertyNames

(

)

const

registerProperty()

static int RDKit::Descriptors::Properties::registerProperty ( PropertyFunctor *  ptr )

static

Register a property function - takes ownership.

Member Data Documentation

m_properties

std::vector<boost::shared_ptr<PropertyFunctor> > RDKit::Descriptors::Properties::m_properties

protected

Definition at line 73 of file Property.h.

registry

std::vector<boost::shared_ptr<PropertyFunctor> > RDKit::Descriptors::Properties::registry

static

Definition at line 89 of file Property.h.

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The documentation for this class was generated from the following file:

• Property.h