#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.

Referenced by FilterCatalogEntry().

◆ FilterCatalogEntry() [2/4]

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

inline

Definition at line 65 of file FilterCatalogEntry.h.

References setDescription().

◆ FilterCatalogEntry() [3/4]

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

inline

Definition at line 70 of file FilterCatalogEntry.h.

References setDescription().

◆ FilterCatalogEntry() [4/4]

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

inline

Definition at line 76 of file FilterCatalogEntry.h.

References FilterCatalogEntry().

◆ ~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.

References clearProp().

Referenced by clearProp().

◆ 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.

◆ 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.

References isValid().

◆ 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.

◆ 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.

◆ 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.

◆ 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.

◆ 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.

◆ 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.

◆ 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.

◆ 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.

References isValid().

◆ 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.

◆ 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.

◆ 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.

Referenced by getFilterMatches(), and hasFilterMatch().

◆ 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.

Referenced by FilterCatalogEntry(), and FilterCatalogEntry().

◆ 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.

References setProp().

Referenced by setProp().

◆ 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.

◆ 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()