Default implementation of the Pharm::Pharmacophore interface. More...

#include <BasicPharmacophore.hpp>

Inheritance diagram for CDPL::Pharm::BasicPharmacophore:

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

typedef boost::indirect_iterator< FeatureList::iterator, BasicFeature >	FeatureIterator
	A mutable random access iterator used to iterate over the stored Pharm::BasicFeature instances. More...

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

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

typedef FeatureContainer::ConstFeatureIterator	ConstFeatureIterator
	A constant random access iterator used to iterate over the stored `const` Pharm::Feature instances. More...

typedef FeatureContainer::FeatureIterator	FeatureIterator
	A mutable random access iterator used to iterate over the stored Pharm::Feature instances. 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 instances. More...

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

typedef Util::IndexedElementIterator< Entity3D, EntityAccessor >	EntityIterator
	A mutable random access iterator used to iterate over the stored Chem::Entity3D instances. 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
	BasicPharmacophore ()
	Constructs an empty `BasicPharmacophore` instance. More...

	BasicPharmacophore (const BasicPharmacophore &pharm)
	Constructs a `BasicPharmacophore` instance that is a copy of the pharmacophore pharm. More...

	BasicPharmacophore (const Pharmacophore &pharm)
	Constructs a `BasicPharmacophore` instance that is a copy of the pharmacophore pharm. More...

	BasicPharmacophore (const FeatureContainer &cntnr)
	Constructs a `BasicPharmacophore` instance with copies of the features and properties provided by the feature container cntnr. More...

	~BasicPharmacophore ()
	Destructor. More...

void	clear ()
	Removes all features and clears all properties of the pharmacophore. More...

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

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

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

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

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

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

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

BasicFeature &	addFeature ()
	Creates a new pharmacophore feature and adds it to the pharmacophore. More...

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

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

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

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

BasicPharmacophore &	operator= (const BasicPharmacophore &pharm)
	Replaces the current set of features by a copy of the features and properties of the pharmacophore pharm. More...

BasicPharmacophore &	operator+= (const BasicPharmacophore &pharm)
	Extends the current set of features by a copy of the features in the pharmacophore pharm. More...

Pharmacophore::SharedPointer	clone () const
	Creates a deep copy of the current pharmacophore state. More...

void	copy (const BasicPharmacophore &pharm)
	Replaces the current set of features and properties by a copy of the features and properties of the pharmacophore pharm. More...

void	copy (const Pharmacophore &pharm)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...

void	copy (const FeatureContainer &cntnr)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the feature container cntnr. More...

void	append (const BasicPharmacophore &pharm)
	Extends the current set of features by a copy of the features in the pharmacophore pharm. More...

void	append (const Pharmacophore &pharm)
	Extends the current set of features by a copy of the features in the pharmacophore pharm. More...

void	append (const FeatureContainer &cntnr)
	Extends the current set of pharmacophore features by a copy of the features in the feature container cntnr. More...

void	remove (const FeatureContainer &cntnr)
	Removes the pharmacophore features referenced by the feature container cntnr from this instance. More...

void	orderFeatures (const FeatureCompareFunction &func)
	Orders the features according to criteria implemented by the provided feature comparison function. More...

Pharmacophore &	operator= (const Pharmacophore &pharm)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...

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

Pharmacophore &	operator+= (const Pharmacophore &pharm)
	Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. More...

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

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

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

Pharmacophore &	operator= (const Pharmacophore &pharm)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm. More...

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

Pharmacophore &	operator+= (const Pharmacophore &pharm)
	Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm. More...

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

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

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

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

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

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

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

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

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

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

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

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

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

virtual std::size_t	getNumEntities () const
	Returns the number of entities. More...

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

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

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

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

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

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

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

EntityIterator	end ()
	Returns a mutable iterator pointing to the end of the stored Chem::Entity3D instances. 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 an entry 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)
	Removes the entry for the property specified by key. More...

void	clearProperties ()
	Erases all container entries. More...

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

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

void	swap (PropertyContainer &cntnr)
	Exchanges the property entries of this container with the ones of 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 properties by a copy of the 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

Default implementation of the Pharm::Pharmacophore interface.

BasicPharmacophore implements the full editing interface inherited from Pharm::Pharmacophore and is the standard concrete type used for the creation, manipulation and processing of pharmacophore data throughout the CDPL.x

Member Typedef Documentation

◆ SharedPointer

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

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

◆ FeatureIterator

typedef boost::indirect_iterator<FeatureList::iterator, BasicFeature> CDPL::Pharm::BasicPharmacophore::FeatureIterator

A mutable random access iterator used to iterate over the stored Pharm::BasicFeature instances.

◆ ConstFeatureIterator

typedef boost::indirect_iterator<FeatureList::const_iterator, const BasicFeature> CDPL::Pharm::BasicPharmacophore::ConstFeatureIterator

A constant random access iterator used to iterate over the stored const Pharm::BasicFeature instances.

Constructor & Destructor Documentation

◆ BasicPharmacophore() [1/4]

CDPL::Pharm::BasicPharmacophore::BasicPharmacophore ( )

Constructs an empty BasicPharmacophore instance.

◆ BasicPharmacophore() [2/4]

CDPL::Pharm::BasicPharmacophore::BasicPharmacophore ( const BasicPharmacophore & pharm )

Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm.

Parameters

pharm The other pharmacophore to copy.

◆ BasicPharmacophore() [3/4]

CDPL::Pharm::BasicPharmacophore::BasicPharmacophore ( const Pharmacophore & pharm )

Constructs a BasicPharmacophore instance that is a copy of the pharmacophore pharm.

Parameters

pharm The other pharmacophore to copy.

◆ BasicPharmacophore() [4/4]

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

explicit

Constructs a BasicPharmacophore instance with copies of the features and properties provided by the feature container cntnr.

Parameters

cntnr The feature container providing the features and properties to copy.

◆ ~BasicPharmacophore()

CDPL::Pharm::BasicPharmacophore::~BasicPharmacophore ( )

Destructor.

Destroys the BasicPharmacophore instance and frees all allocated resources.

Member Function Documentation

◆ clear()

void CDPL::Pharm::BasicPharmacophore::clear ( )

virtual

Removes all features and clears all properties of the pharmacophore.

Implements CDPL::Pharm::Pharmacophore.

◆ getNumFeatures()

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

virtual

Returns the number of features.

Returns: The number of features.

Implements CDPL::Pharm::FeatureContainer.

◆ getFeaturesBegin() [1/2]

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

Returns a constant iterator pointing to the beginning of the stored const Pharm::BasicFeature instances.

Returns: A constant iterator pointing to the beginning of the stored const Pharm::BasicFeature instances.

◆ getFeaturesBegin() [2/2]

FeatureIterator CDPL::Pharm::BasicPharmacophore::getFeaturesBegin ( )

Returns a mutable iterator pointing to the beginning of the stored Pharm::BasicFeature instances.

Returns: A mutable iterator pointing to the beginning of the stored Pharm::BasicFeature instances.

◆ getFeaturesEnd() [1/2]

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

Returns a constant iterator pointing to the end of the stored const Pharm::BasicFeature instances.

Returns: A constant iterator pointing to the end of the stored const Pharm::BasicFeature instances.

◆ getFeaturesEnd() [2/2]

FeatureIterator CDPL::Pharm::BasicPharmacophore::getFeaturesEnd ( )

Returns a mutable iterator pointing to the end of the stored Pharm::BasicFeature instances.

Returns: A mutable iterator pointing to the end of the stored Pharm::BasicFeature instances.

◆ getFeature() [1/2]

const BasicFeature& CDPL::Pharm::BasicPharmacophore::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 idx is not in the range [0, getNumFeatures()).

Implements CDPL::Pharm::FeatureContainer.

◆ getFeature() [2/2]

BasicFeature& CDPL::Pharm::BasicPharmacophore::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 idx is not in the range [0, getNumFeatures()).

Implements CDPL::Pharm::FeatureContainer.

◆ addFeature()

BasicFeature& CDPL::Pharm::BasicPharmacophore::addFeature ( )

virtual

Creates a new pharmacophore feature and adds it to the pharmacophore.

Returns: A reference to the newly created features.

Implements CDPL::Pharm::Pharmacophore.

◆ removeFeature() [1/2]

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

virtual

Removes the pharmacophore feature at the specified index.

Parameters

idx	The index of the feature to remove.

Exceptions

Base::IndexError if idx is not in the range [0, getNumFeatures()).

Implements CDPL::Pharm::Pharmacophore.

◆ removeFeature() [2/2]

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

Removes the pharmacophore 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 it is not in the range [getFeaturesBegin(), getFeaturesEnd()).

◆ containsFeature()

bool CDPL::Pharm::BasicPharmacophore::containsFeature ( const Feature & feature ) const

virtual

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

Parameters

feature The feature to look for.

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

Implements CDPL::Pharm::FeatureContainer.

◆ getFeatureIndex()

std::size_t CDPL::Pharm::BasicPharmacophore::getFeatureIndex ( const Feature & feature ) const

virtual

Returns the index of the specified feature.

Parameters

feature The feature for which to return the index.

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

Exceptions

Base::ItemNotFound if the specified feature could not be found.

Implements CDPL::Pharm::FeatureContainer.

◆ operator=() [1/3]

BasicPharmacophore& CDPL::Pharm::BasicPharmacophore::operator= ( const BasicPharmacophore & pharm )

Replaces the current set of features by a copy of the features and properties of the pharmacophore pharm.

Internally calls copy() to perform the actual work.

Parameters

pharm The pharmacophore to copy.

Returns: A reference to itself.

◆ operator+=() [1/3]

BasicPharmacophore& CDPL::Pharm::BasicPharmacophore::operator+= ( const BasicPharmacophore & pharm )

Extends the current set of features by a copy of the features in the pharmacophore pharm.

Internally calls append() to perform the actual work.

Parameters

pharm The pharmacophore providing the features to append.

Returns: A reference to itself.

◆ clone()

Pharmacophore::SharedPointer CDPL::Pharm::BasicPharmacophore::clone ( ) const

virtual

Creates a deep copy of the current pharmacophore state.

Returns: A smart pointer to the copy of the pharmacophore.

Implements CDPL::Pharm::Pharmacophore.

◆ copy() [1/3]

void CDPL::Pharm::BasicPharmacophore::copy ( const BasicPharmacophore & pharm )

Replaces the current set of features and properties by a copy of the features and properties of the pharmacophore pharm.

Parameters

pharm The pharmacophore to copy.

◆ copy() [2/3]

void CDPL::Pharm::BasicPharmacophore::copy ( const Pharmacophore & pharm )

virtual

Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm.

Parameters

pharm The pharmacophore to copy.

Implements CDPL::Pharm::Pharmacophore.

◆ copy() [3/3]

void CDPL::Pharm::BasicPharmacophore::copy ( const FeatureContainer & cntnr )

virtual

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

Parameters

cntnr The feature container providing the features and properties to copy.

Implements CDPL::Pharm::Pharmacophore.

◆ append() [1/3]

void CDPL::Pharm::BasicPharmacophore::append ( const BasicPharmacophore & pharm )

Extends the current set of features by a copy of the features in the pharmacophore pharm.

Parameters

pharm The pharmacophore providing the features to append.

Note: Does not affect any properties.

◆ append() [2/3]

void CDPL::Pharm::BasicPharmacophore::append ( const Pharmacophore & pharm )

virtual

Extends the current set of features by a copy of the features in the pharmacophore pharm.

Parameters

pharm The pharmacophore providing the features to append.

Note: Does not affect any properties.

Implements CDPL::Pharm::Pharmacophore.

◆ append() [3/3]

void CDPL::Pharm::BasicPharmacophore::append ( const FeatureContainer & cntnr )

virtual

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

Parameters

cntnr The feature container providing the features to append.

Note: Does not affect any properties.

Implements CDPL::Pharm::Pharmacophore.

◆ remove()

void CDPL::Pharm::BasicPharmacophore::remove ( const FeatureContainer & cntnr )

virtual

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

Parameters

cntnr The feature container providing the features to remove.

Note: Equivalent to clear() if this == &cntr.

Implements CDPL::Pharm::Pharmacophore.

◆ orderFeatures()

void CDPL::Pharm::BasicPharmacophore::orderFeatures ( const FeatureCompareFunction & func )

virtual

Orders the features according to criteria implemented by the provided feature comparison function.

Parameters

func	The feature comparison function implementing the applied ordering criteria.

Implements CDPL::Pharm::FeatureContainer.

◆ operator=() [2/3]

Pharmacophore& CDPL::Pharm::Pharmacophore::operator=

Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the pharmacophore pharm.

Internally calls copy() to perform the actual work.

Parameters

pharm The pharmacophore to copy.

Returns: A reference to itself.

◆ operator=() [3/3]

Pharmacophore& CDPL::Pharm::Pharmacophore::operator=

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

Internally calls copy() to perform the actual work.

Parameters

cntnr The feature container providing the features and properties to copy.

Returns: A reference to itself.

◆ operator+=() [2/3]

Pharmacophore& CDPL::Pharm::Pharmacophore::operator+=

Extends the current set of pharmacophore features by a copy of the features in the pharmacophore pharm.

Internally calls append() to perform the actual work.

Parameters

pharm The pharmacophore providing the features to append.

Returns: A reference to itself.

◆ operator+=() [3/3]

Pharmacophore& CDPL::Pharm::Pharmacophore::operator+=

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

Internally calls append() to perform the actual work.

Parameters

cntnr The feature container providing the features to append.

Returns: A reference to itself.

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

BasicPharmacophore.hpp

Public Types

Public Member Functions

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ SharedPointer

◆ FeatureIterator

◆ ConstFeatureIterator

Constructor & Destructor Documentation

◆ BasicPharmacophore() [1/4]

◆ BasicPharmacophore() [2/4]

◆ BasicPharmacophore() [3/4]

◆ BasicPharmacophore() [4/4]

◆ ~BasicPharmacophore()

Member Function Documentation

◆ clear()

◆ getNumFeatures()

◆ getFeaturesBegin() [1/2]

◆ getFeaturesBegin() [2/2]

◆ getFeaturesEnd() [1/2]

◆ getFeaturesEnd() [2/2]

◆ getFeature() [1/2]

◆ getFeature() [2/2]

◆ addFeature()

◆ removeFeature() [1/2]

◆ removeFeature() [2/2]

◆ containsFeature()

◆ getFeatureIndex()

◆ operator=() [1/3]

◆ operator+=() [1/3]

◆ clone()

◆ copy() [1/3]

◆ copy() [2/3]

◆ copy() [3/3]

◆ append() [1/3]

◆ append() [2/3]

◆ append() [3/3]

◆ remove()

◆ orderFeatures()

◆ operator=() [2/3]

◆ operator=() [3/3]

◆ operator+=() [2/3]

◆ operator+=() [3/3]