#include <FilterCatalogEntry.h>

Inheritance diagram for RDKit::FilterCatalogEntry:

Public Member Functions
	FilterCatalogEntry ()

	FilterCatalogEntry (const std::string &name, const FilterMatcherBase &matcher)

	FilterCatalogEntry (const std::string &name, boost::shared_ptr< FilterMatcherBase > matcher)

	FilterCatalogEntry (const FilterCatalogEntry &rhs)

	~FilterCatalogEntry () override

bool	isValid () const
	Returns true if the Filters stored in this catalog entry are valid.

std::string	getDescription () const override
	Returns the description of the catalog entry.

void	setDescription (const std::string &description)
	Sets the description of the catalog entry.

Properties
STR_VECT	getPropList () const
	returns a list with the names of our `properties`

template<typename T >
void	setProp (const char *key, T val)
	sets a `property` value

template<typename T >
void	setProp (const std::string &key, T val)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

template<typename T >
void	getProp (const char *key, T &res) const
	allows retrieval of a particular property value

template<typename T >
void	getProp (const std::string &key, T &res) const
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

template<typename T >
T	getProp (const char *key) const
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

template<typename T >
T	getProp (const std::string &key) const
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

template<typename T >
bool	getPropIfPresent (const char *key, T &res) const

template<typename T >
bool	getPropIfPresent (const std::string &key, T &res) const
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

bool	hasProp (const char *key) const
	returns whether or not we have a `property` with name `key`

bool	hasProp (const std::string &key) const
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

void	clearProp (const char *key)
	clears the value of a `property`

void	clearProp (const std::string &key)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Dict &	getProps ()

const Dict &	getProps () const

void	setProps (const Dict &props)

bool	getFilterMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const
	Returns the matching filters for this catalog entry.

bool	hasFilterMatch (const ROMol &mol) const
	Returns true if the filters in this catalog entry match the molecule.

void	toStream (std::ostream &ss) const override
	serializes (pickles) to a stream

std::string	Serialize () const override
	returns a string with a serialized (pickled) representation

void	initFromStream (std::istream &ss) override
	initializes from a stream pickle

void	initFromString (const std::string &text) override
	initializes from a string pickle

Public Member Functions inherited from RDCatalog::CatalogEntry
virtual	~CatalogEntry ()=0

void	setBitId (int bid)
	sets our bit Id

int	getBitId () const
	returns our bit Id

Detailed Description

Definition at line 56 of file FilterCatalogEntry.h.

Constructor & Destructor Documentation

◆ FilterCatalogEntry() [1/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry ( )

inline

Definition at line 63 of file FilterCatalogEntry.h.

◆ FilterCatalogEntry() [2/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry	(	const std::string &	name,
		const FilterMatcherBase &	matcher
	)

inline

Definition at line 65 of file FilterCatalogEntry.h.

◆ FilterCatalogEntry() [3/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry	(	const std::string &	name,
		boost::shared_ptr< FilterMatcherBase >	matcher
	)

inline

Definition at line 70 of file FilterCatalogEntry.h.

◆ FilterCatalogEntry() [4/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry ( const FilterCatalogEntry & rhs )

inline

Definition at line 76 of file FilterCatalogEntry.h.

◆ ~FilterCatalogEntry()

RDKit::FilterCatalogEntry::~FilterCatalogEntry ( )

inlineoverride

Definition at line 81 of file FilterCatalogEntry.h.

Member Function Documentation

◆ clearProp() [1/2]

void RDKit::FilterCatalogEntry::clearProp ( const char * key )

inline

clears the value of a property

Definition at line 180 of file FilterCatalogEntry.h.

◆ clearProp() [2/2]

void RDKit::FilterCatalogEntry::clearProp ( const std::string & key )

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 185 of file FilterCatalogEntry.h.

References RDKit::Dict::clearVal().

◆ getDescription()

std::string RDKit::FilterCatalogEntry::getDescription ( ) const

overridevirtual

Returns the description of the catalog entry.

Implements RDCatalog::CatalogEntry.

◆ getFilterMatches()

bool RDKit::FilterCatalogEntry::getFilterMatches	(	const ROMol &	mol,
		std::vector< FilterMatch > &	matchVect
	)		const

inline

Returns the matching filters for this catalog entry.

Definition at line 201 of file FilterCatalogEntry.h.

◆ getProp() [1/4]

template<typename T >

T RDKit::FilterCatalogEntry::getProp ( const char * key ) const

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 150 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [2/4]

template<typename T >

void RDKit::FilterCatalogEntry::getProp	(	const char *	key,
		T &	res
	)		const

inline

allows retrieval of a particular property value

Parameters

key	the name under which the `property` should be stored. If a `property` is already stored under this name, it will be replaced.
res	a reference to the storage location for the value.

Notes:

if no property with name key exists, a KeyErrorException will be thrown.
the boost::lexical_cast machinery is used to attempt type conversions. If this fails, a boost::bad_lexical_cast exception will be thrown.

Definition at line 140 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [3/4]

template<typename T >

T RDKit::FilterCatalogEntry::getProp ( const std::string & key ) const

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 155 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [4/4]

template<typename T >

void RDKit::FilterCatalogEntry::getProp	(	const std::string &	key,
		T &	res
	)		const

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 145 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getPropIfPresent() [1/2]

template<typename T >

bool RDKit::FilterCatalogEntry::getPropIfPresent	(	const char *	key,
		T &	res
	)		const

inline

returns whether or not we have a property with name key and assigns the value if we do

Definition at line 162 of file FilterCatalogEntry.h.

References RDKit::Dict::getValIfPresent().

◆ getPropIfPresent() [2/2]

template<typename T >

bool RDKit::FilterCatalogEntry::getPropIfPresent	(	const std::string &	key,
		T &	res
	)		const

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 167 of file FilterCatalogEntry.h.

References RDKit::Dict::getValIfPresent().

◆ getPropList()

STR_VECT RDKit::FilterCatalogEntry::getPropList ( ) const

inline

returns a list with the names of our properties

Definition at line 103 of file FilterCatalogEntry.h.

References RDKit::Dict::keys().

◆ getProps() [1/2]

Dict & RDKit::FilterCatalogEntry::getProps ( )

inline

Properties usually contain the reference and source for the catalog entry.

Definition at line 191 of file FilterCatalogEntry.h.

◆ getProps() [2/2]

const Dict & RDKit::FilterCatalogEntry::getProps ( ) const

inline

Definition at line 192 of file FilterCatalogEntry.h.

◆ hasFilterMatch()

bool RDKit::FilterCatalogEntry::hasFilterMatch ( const ROMol & mol ) const

inline

Returns true if the filters in this catalog entry match the molecule.

Definition at line 212 of file FilterCatalogEntry.h.

◆ hasProp() [1/2]

bool RDKit::FilterCatalogEntry::hasProp ( const char * key ) const

inline

returns whether or not we have a property with name key

Definition at line 172 of file FilterCatalogEntry.h.

References RDKit::Dict::hasVal().

◆ hasProp() [2/2]

bool RDKit::FilterCatalogEntry::hasProp ( const std::string & key ) const

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 174 of file FilterCatalogEntry.h.

References RDKit::Dict::hasVal().

◆ initFromStream()

void RDKit::FilterCatalogEntry::initFromStream ( std::istream & ss )

overridevirtual

initializes from a stream pickle

Implements RDCatalog::CatalogEntry.

◆ initFromString()

void RDKit::FilterCatalogEntry::initFromString ( const std::string & text )

overridevirtual

initializes from a string pickle

Implements RDCatalog::CatalogEntry.

◆ isValid()

bool RDKit::FilterCatalogEntry::isValid ( ) const

inline

Returns true if the Filters stored in this catalog entry are valid.

Definition at line 86 of file FilterCatalogEntry.h.

◆ Serialize()

std::string RDKit::FilterCatalogEntry::Serialize ( ) const

overridevirtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogEntry.

◆ setDescription()

void RDKit::FilterCatalogEntry::setDescription ( const std::string & description )

Sets the description of the catalog entry.

◆ setProp() [1/2]

template<typename T >

void RDKit::FilterCatalogEntry::setProp	(	const char *	key,
		T	val
	)

inline

sets a property value

Parameters

key	the name under which the `property` should be stored. If a `property` is already stored under this name, it will be replaced.
val	the value to be stored

Definition at line 113 of file FilterCatalogEntry.h.

◆ setProp() [2/2]

template<typename T >

void RDKit::FilterCatalogEntry::setProp	(	const std::string &	key,
		T	val
	)

inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 119 of file FilterCatalogEntry.h.

References RDKit::Dict::setVal().

◆ setProps()

void RDKit::FilterCatalogEntry::setProps ( const Dict & props )

inline

Definition at line 193 of file FilterCatalogEntry.h.

◆ toStream()

void RDKit::FilterCatalogEntry::toStream ( std::ostream & ss ) const

overridevirtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogEntry.

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

FilterCatalogEntry.h

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ FilterCatalogEntry() [1/4]

◆ FilterCatalogEntry() [2/4]

◆ FilterCatalogEntry() [3/4]

◆ FilterCatalogEntry() [4/4]

◆ ~FilterCatalogEntry()

Member Function Documentation

◆ clearProp() [1/2]

◆ clearProp() [2/2]

◆ getDescription()

◆ getFilterMatches()

◆ getProp() [1/4]

◆ getProp() [2/4]

◆ getProp() [3/4]

◆ getProp() [4/4]

◆ getPropIfPresent() [1/2]

◆ getPropIfPresent() [2/2]

◆ getPropList()

◆ getProps() [1/2]

◆ getProps() [2/2]

◆ hasFilterMatch()

◆ hasProp() [1/2]

◆ hasProp() [2/2]

◆ initFromStream()

◆ initFromString()

◆ isValid()

◆ Serialize()

◆ setDescription()

◆ setProp() [1/2]

◆ setProp() [2/2]

◆ setProps()

◆ toStream()