#include <FeatureSet.hpp>

Inheritance diagram for CDPL::Pharm::FeatureSet:

Public Types
typedef std::shared_ptr< FeatureSet >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `FeatureSet` instances. More...

typedef boost::indirect_iterator< FeatureList::const_iterator, const Feature >	ConstFeatureIterator
	A constant random access iterator used to iterate over the stored `const` Pharm::Feature objects. More...

typedef boost::indirect_iterator< FeatureList::iterator, Feature >	FeatureIterator
	A mutable random access iterator used to iterate over the stored `const` Pharm::Feature objects. More...

Public Types inherited from CDPL::Pharm::FeatureContainer
typedef std::shared_ptr< FeatureContainer >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `FeatureContainer` instances. More...

typedef Util::IndexedElementIterator< const Feature, ConstFeatureAccessor >	ConstFeatureIterator
	A constant random access iterator used to iterate over the stored `const` Pharm::Feature objects. More...

typedef Util::IndexedElementIterator< Feature, FeatureAccessor >	FeatureIterator
	A mutable random access iterator used to iterate over the stored Pharm::Feature objects. More...

Public Types inherited from CDPL::Chem::Entity3DContainer
typedef Util::IndexedElementIterator< const Entity3D, ConstEntityAccessor >	ConstEntityIterator
	A constant random access iterator used to iterate over the stored `const` Chem::Entity3D objects. More...

typedef Util::IndexedElementIterator< Entity3D, EntityAccessor >	EntityIterator
	A mutable random access iterator used to iterate over the stored Chem::Entity3D objects. More...

Public Types inherited from CDPL::Base::PropertyContainer
typedef PropertyMap::value_type	PropertyEntry
	A Base::LookupKey / Base::Any pair that stores the property value for a given property key. More...

typedef PropertyMap::const_iterator	ConstPropertyIterator
	A constant iterator used to iterate over the property entries. More...

Public Member Functions
	FeatureSet ()
	Constructs an empty `FeatureSet` instance. More...

	FeatureSet (const FeatureSet &ftr_set)
	Constructs a copy of the `FeatureSet` instance ftr_set. More...

	FeatureSet (const FeatureContainer &cntnr)
	Constructs a `FeatureSet` instance storing the features and properties of the feature container cntnr. More...

	~FeatureSet ()
	Destructor. More...

std::size_t	getNumFeatures () const
	Returns the number of features. More...

bool	containsFeature (const Feature &ftr) const
	Tells whether the specified feature is part of this feature set. More...

std::size_t	getFeatureIndex (const Feature &ftr) const
	Returns the index of the specified feature. More...

ConstFeatureIterator	getFeaturesBegin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

FeatureIterator	getFeaturesBegin ()
	Returns a mutable iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

ConstFeatureIterator	getFeaturesEnd () const
	Returns a constant iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

FeatureIterator	getFeaturesEnd ()
	Returns a mutable iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

const Feature &	getFeature (std::size_t idx) const
	Returns a `const` reference to the feature at index idx. More...

Feature &	getFeature (std::size_t idx)
	Returns a `non-const` reference to the feature at index idx. More...

bool	addFeature (const Feature &ftr)
	Extends the feature set by the specified feature. More...

void	removeFeature (std::size_t idx)
	Removes the feature at the specified index. More...

FeatureIterator	removeFeature (const FeatureIterator &it)
	Removes the feature specified by the iterator it. More...

bool	removeFeature (const Feature &ftr)
	Removes the specified feature. More...

void	clear ()
	Removes all features and properties. More...

FeatureSet &	operator= (const FeatureSet &ftr_set)
	Replaces the current set of features and properties by the features and properties of the feature set ftr_set. More...

FeatureSet &	operator= (const FeatureContainer &cntnr)
	Replaces the current set of features and properties by the features and properties of the feature container cntnr. More...

FeatureSet &	operator+= (const FeatureContainer &cntnr)
	Extends the current set of features by the features in the feature container cntnr. More...

FeatureSet &	operator-= (const FeatureContainer &cntnr)
	Removes the pharmacophore features referenced by the feature container cntnr from this `FeatureSet` instance. More...

Public Member Functions inherited from CDPL::Pharm::FeatureContainer
virtual	~FeatureContainer ()
	Virtual destructor. More...

ConstFeatureIterator	getFeaturesBegin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

ConstFeatureIterator	getFeaturesEnd () const
	Returns a constant iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

FeatureIterator	getFeaturesBegin ()
	Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...

FeatureIterator	getFeaturesEnd ()
	Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...

ConstFeatureIterator	begin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

ConstFeatureIterator	end () const
	Returns a constant iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

FeatureIterator	begin ()
	Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...

FeatureIterator	end ()
	Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...

virtual std::size_t	getNumEntities () const
	Returns the number of stored Chem::Entity3D objects. More...

virtual const Chem::Entity3D &	getEntity (std::size_t idx) const
	Returns a `const` reference to the Chem::Entity3D instance at index idx. More...

virtual Chem::Entity3D &	getEntity (std::size_t idx)
	Returns a non-`const` reference to the entity at index idx. More...

Public Member Functions inherited from CDPL::Chem::Entity3DContainer
ConstEntityIterator	getEntitiesBegin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Chem::Entity3D objects. More...

ConstEntityIterator	getEntitiesEnd () const
	Returns a constant iterator pointing to the end of the stored `const` Chem::Entity3D objects. More...

EntityIterator	getEntitiesBegin ()
	Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...

EntityIterator	getEntitiesEnd ()
	Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...

ConstEntityIterator	begin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Chem::Entity3D objects. More...

ConstEntityIterator	end () const
	Returns a constant iterator pointing to the end of the stored `const` Chem::Entity3D objects. More...

EntityIterator	begin ()
	Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...

EntityIterator	end ()
	Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...

const Entity3DContainer &	getEntities () const
	Returns a `const` reference to itself. More...

Entity3DContainer &	getEntities ()
	Returns a reference to itself. More...

Public Member Functions inherited from CDPL::Base::PropertyContainer
std::size_t	getNumProperties () const
	Returns the number of property entries. More...

template<typename T >
void	setProperty (const LookupKey &key, T &&val)
	Sets the value of the property specified by key to val. More...

template<typename T >
const T &	getProperty (const LookupKey &key) const
	Returns the value of the property specified by key as a `const` reference to an object of type T. More...

template<typename T >
const T &	getPropertyOrDefault (const LookupKey &key, const T &def_val) const
	Returns the value of the property specified by key as a `const` reference to an object of type T, or the default value def_val if a stored value does not exist. More...

const Any &	getProperty (const LookupKey &key, bool throw_=false) const
	Returns the value of the property specified by key. More...

bool	isPropertySet (const LookupKey &key) const
	Tells whether or not a value has been assigned to the property specified by key. More...

ConstPropertyIterator	getPropertiesBegin () const
	Returns a constant iterator pointing to the beginning of the property entries. More...

ConstPropertyIterator	getPropertiesEnd () const
	Returns a constant iterator pointing to the end of the property entries. More...

ConstPropertyIterator	begin () const
	Returns a constant iterator pointing to the beginning of the property entries. More...

ConstPropertyIterator	end () const
	Returns a constant iterator pointing to the end of the property entries. More...

bool	removeProperty (const LookupKey &key)
	Clears the value of the property specified by key. More...

void	clearProperties ()
	Clears all property values. More...

void	addProperties (const PropertyContainer &cntnr)
	Adds the property value entries in the `PropertyContainer` instance cntnr. More...

void	copyProperties (const PropertyContainer &cntnr)
	Replaces the current set of properties by a copy of the entries in cntnr. More...

void	swap (PropertyContainer &cntnr)
	Exchanges the properties of this container with the properties of the container cntnr. More...

const PropertyContainer &	getProperties () const
	Returns a `const` reference to itself. More...

Additional Inherited Members
Protected Member Functions inherited from CDPL::Pharm::FeatureContainer
FeatureContainer &	operator= (const FeatureContainer &cntnr)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the container cntnr. More...

Protected Member Functions inherited from CDPL::Chem::Entity3DContainer
virtual	~Entity3DContainer ()
	Virtual destructor. More...

Entity3DContainer &	operator= (const Entity3DContainer &cntnr)
	Assignment operator. More...

Protected Member Functions inherited from CDPL::Base::PropertyContainer
	PropertyContainer ()
	Constructs an empty `PropertyContainer` instance. More...

	PropertyContainer (const PropertyContainer &cntnr)
	Constructs a copy of the `PropertyContainer` instance cntnr. More...

virtual	~PropertyContainer ()
	Virtual destructor. More...

PropertyContainer &	operator= (const PropertyContainer &cntnr)
	Assignment operator. More...

Detailed Description

FeatureSet.

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<FeatureSet> CDPL::Pharm::FeatureSet::SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureSet instances.

◆ ConstFeatureIterator

typedef boost::indirect_iterator<FeatureList::const_iterator, const Feature> CDPL::Pharm::FeatureSet::ConstFeatureIterator

A constant random access iterator used to iterate over the stored const Pharm::Feature objects.

◆ FeatureIterator

typedef boost::indirect_iterator<FeatureList::iterator, Feature> CDPL::Pharm::FeatureSet::FeatureIterator

A mutable random access iterator used to iterate over the stored const Pharm::Feature objects.

Constructor & Destructor Documentation

◆ FeatureSet() [1/3]

CDPL::Pharm::FeatureSet::FeatureSet ( )

Constructs an empty FeatureSet instance.

◆ FeatureSet() [2/3]

CDPL::Pharm::FeatureSet::FeatureSet ( const FeatureSet & ftr_set )

Constructs a copy of the FeatureSet instance ftr_set.

Parameters

ftr_set The other FeatureSet instance to copy.

◆ FeatureSet() [3/3]

CDPL::Pharm::FeatureSet::FeatureSet ( const FeatureContainer & cntnr )

explicit

Constructs a FeatureSet instance storing the features and properties of the feature container cntnr.

Parameters

cntnr The Pharm::FeatureContainer instance providing the features and properties to store.

◆ ~FeatureSet()

CDPL::Pharm::FeatureSet::~FeatureSet ( )

Destructor.

Destroys the FeatureSet instance and frees all allocated resources.

Member Function Documentation

◆ getNumFeatures()

std::size_t CDPL::Pharm::FeatureSet::getNumFeatures ( ) const

virtual

Returns the number of features.

Returns: The number of features.

Implements CDPL::Pharm::FeatureContainer.

◆ containsFeature()

bool CDPL::Pharm::FeatureSet::containsFeature ( const Feature & ftr ) const

virtual

Tells whether the specified feature is part of this feature set.

Parameters

ftr	The feature to look for.

Returns: true if feature is part of this feature set, and false otherwise.

Implements CDPL::Pharm::FeatureContainer.

◆ getFeatureIndex()

std::size_t CDPL::Pharm::FeatureSet::getFeatureIndex ( const Feature & ftr ) const

virtual

Returns the index of the specified feature.

Parameters

ftr	The feature for which to return the index.

Returns: The zero-based index of the specified feature.

Exceptions

Base::ItemNotFound if the specified feature is not part of the feature set.

Implements CDPL::Pharm::FeatureContainer.

◆ getFeaturesBegin() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureSet::getFeaturesBegin ( ) const

Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ getFeaturesBegin() [2/2]

FeatureIterator CDPL::Pharm::FeatureSet::getFeaturesBegin ( )

Returns a mutable iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns: A mutable iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ getFeaturesEnd() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureSet::getFeaturesEnd ( ) const

Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the end of the stored const Pharm::Feature objects.

◆ getFeaturesEnd() [2/2]

FeatureIterator CDPL::Pharm::FeatureSet::getFeaturesEnd ( )

Returns a mutable iterator pointing to the end of the stored const Pharm::Feature objects.

Returns: A mutable iterator pointing to the end of the stored const Pharm::Feature objects.

◆ getFeature() [1/2]

const Feature& CDPL::Pharm::FeatureSet::getFeature ( std::size_t idx ) const

virtual

Returns a const reference to the feature at index idx.

Parameters

idx	The zero-based index of the feature to return.

Returns: A const reference to the feature at the specified index.

Exceptions

Base::IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implements CDPL::Pharm::FeatureContainer.

◆ getFeature() [2/2]

Feature& CDPL::Pharm::FeatureSet::getFeature ( std::size_t idx )

virtual

Returns a non-const reference to the feature at index idx.

Parameters

idx	The zero-based index of the feature to return.

Returns: A non-const reference to the feature at the specified index.

Exceptions

Base::IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implements CDPL::Pharm::FeatureContainer.

◆ addFeature()

bool CDPL::Pharm::FeatureSet::addFeature ( const Feature & ftr )

Extends the feature set by the specified feature.

Parameters

ftr	The feature to add.

Returns: true if the feature was not already a part of the feature set, and false otherwise.

◆ removeFeature() [1/3]

void CDPL::Pharm::FeatureSet::removeFeature ( std::size_t idx )

Removes the feature at the specified index.

Parameters

idx	The zero-based index of the feature to remove.

Exceptions

Base::IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

◆ removeFeature() [2/3]

FeatureIterator CDPL::Pharm::FeatureSet::removeFeature ( const FeatureIterator & it )

Removes the feature specified by the iterator it.

Parameters

it	An iterator that specifies the feature to remove.

Returns: A mutable iterator pointing to the next feature in the list.

Exceptions

Base::RangeError if the number of features is zero or it is not in the range [getFeaturesBegin(), getFeaturesEnd() - 1].

◆ removeFeature() [3/3]

bool CDPL::Pharm::FeatureSet::removeFeature ( const Feature & ftr )

Removes the specified feature.

Parameters

ftr	The feature to remove.

Returns: true if the feature was part of the feature set and has been removed, and false otherwise.

◆ clear()

void CDPL::Pharm::FeatureSet::clear ( )

Removes all features and properties.

◆ operator=() [1/2]

FeatureSet& CDPL::Pharm::FeatureSet::operator= ( const FeatureSet & ftr_set )

Replaces the current set of features and properties by the features and properties of the feature set ftr_set.

Parameters

ftr_set The feature set to copy.

Returns: A reference to itself.

◆ operator=() [2/2]

FeatureSet& CDPL::Pharm::FeatureSet::operator= ( const FeatureContainer & cntnr )

Replaces the current set of features and properties by the features and properties of the feature container cntnr.

Parameters

cntnr The Pharm::FeatureContainer instance providing the features and properties to copy.

Returns: A reference to itself.

◆ operator+=()

FeatureSet& CDPL::Pharm::FeatureSet::operator+= ( const FeatureContainer & cntnr )

Extends the current set of features by the features in the feature container cntnr.

Parameters

cntnr The Pharm::FeatureContainer instance providing the features to append.

Returns: A reference to itself.

Note: Does not affect any properties.

◆ operator-=()

FeatureSet& CDPL::Pharm::FeatureSet::operator-= ( const FeatureContainer & cntnr )

Removes the pharmacophore features referenced by the feature container cntnr from this FeatureSet instance.

Parameters

cntnr The Pharm::FeatureContainer instance providing the features to remove.

Returns: A reference to itself.

Note: Does not affect any properties if this != &cntr.

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

FeatureSet.hpp

Public Types

Public Member Functions

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ SharedPointer

◆ ConstFeatureIterator

◆ FeatureIterator

Constructor & Destructor Documentation

◆ FeatureSet() [1/3]

◆ FeatureSet() [2/3]

◆ FeatureSet() [3/3]

◆ ~FeatureSet()

Member Function Documentation

◆ getNumFeatures()

◆ containsFeature()

◆ getFeatureIndex()

◆ getFeaturesBegin() [1/2]

◆ getFeaturesBegin() [2/2]

◆ getFeaturesEnd() [1/2]

◆ getFeaturesEnd() [2/2]

◆ getFeature() [1/2]

◆ getFeature() [2/2]

◆ addFeature()

◆ removeFeature() [1/3]

◆ removeFeature() [2/3]

◆ removeFeature() [3/3]

◆ clear()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator+=()

◆ operator-=()