#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)

virtual	~FilterCatalogEntry ()

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

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

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

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

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

template<typename T >
void	setProp (const std::string &key, T val)

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

template<typename T >
void	getProp (const std::string &key, T &res) const

template<typename T >
T	getProp (const char *key) const

template<typename T >
T	getProp (const std::string &key) const

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

template<typename T >
bool	getPropIfPresent (const std::string &key, T &res) const

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

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

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

void	clearProp (const std::string &key)

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. More...

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

virtual void	toStream (std::ostream &ss) const
	serializes (pickles) to a stream More...

virtual std::string	Serialize () const
	returns a string with a serialized (pickled) representation More...

virtual void	initFromStream (std::istream &ss)
	initializes from a stream pickle More...

virtual void	initFromString (const std::string &text)
	initializes from a string pickle More...

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

void	setBitId (int bid)
	sets our bit Id More...

int	getBitId () const
	returns our bit Id More...

Detailed Description

Definition at line 54 of file FilterCatalogEntry.h.

Constructor & Destructor Documentation

◆ FilterCatalogEntry() [1/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry ( )

inline

Definition at line 60 of file FilterCatalogEntry.h.

◆ FilterCatalogEntry() [2/4]

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

inline

Definition at line 62 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 67 of file FilterCatalogEntry.h.

References setDescription().

◆ FilterCatalogEntry() [4/4]

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

inline

Definition at line 73 of file FilterCatalogEntry.h.

◆ ~FilterCatalogEntry()

virtual RDKit::FilterCatalogEntry::~FilterCatalogEntry ( )

inlinevirtual

Definition at line 78 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 177 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 182 of file FilterCatalogEntry.h.

References RDKit::Dict::clearVal().

◆ getDescription()

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

virtual

Returns the description of the catalog entry.

Implements RDCatalog::CatalogEntry.

Referenced by isValid().

◆ 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 198 of file FilterCatalogEntry.h.

References isValid().

◆ getProp() [1/4]

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 137 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [2/4]

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 142 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [3/4]

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 147 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

◆ getProp() [4/4]

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 152 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 159 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 164 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 100 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 188 of file FilterCatalogEntry.h.

◆ getProps() [2/2]

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

inline

Definition at line 189 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 209 of file FilterCatalogEntry.h.

References RDKit::Dict::getValIfPresent(), initFromStream(), initFromString(), isValid(), RDKit::Dict::keys(), RDUNUSED_PARAM, RDKit::Dict::reset(), Serialize(), RDKit::Dict::setVal(), and toStream().

◆ 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 169 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 171 of file FilterCatalogEntry.h.

References RDKit::Dict::hasVal().

◆ initFromStream()

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

virtual

initializes from a stream pickle

Implements RDCatalog::CatalogEntry.

Referenced by hasFilterMatch().

◆ initFromString()

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

virtual

initializes from a string pickle

Implements RDCatalog::CatalogEntry.

Referenced by hasFilterMatch().

◆ isValid()

bool RDKit::FilterCatalogEntry::isValid ( ) const

inline

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

Definition at line 83 of file FilterCatalogEntry.h.

References getDescription(), and setDescription().

Referenced by getFilterMatches(), and hasFilterMatch().

◆ Serialize()

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

virtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogEntry.

Referenced by hasFilterMatch().

◆ setDescription()

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

Sets the description of the catalog entry.

Referenced by FilterCatalogEntry(), and isValid().

◆ 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 110 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 116 of file FilterCatalogEntry.h.

References RDKit::Dict::setVal().

◆ setProps()

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

inline

Definition at line 190 of file FilterCatalogEntry.h.

◆ toStream()

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

virtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogEntry.

Referenced by hasFilterMatch().

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()