Implements the perception of molecular graph components. More...

#include <ComponentSet.hpp>

Inheritance diagram for CDPL::Chem::ComponentSet:

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

Public Types inherited from CDPL::Chem::FragmentList
typedef std::shared_ptr< FragmentList >	SharedPointer

Public Types inherited from CDPL::Util::IndirectArray< Fragment >
typedef Array< typename ValueType::SharedPointer >	BaseType
	The type of the public Array<PointerType> base class storing the pointer elements. More...

typedef Fragment	ElementType
	The type of the object that is obtained after dereferenciation of a stored pointer element. More...

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

typedef boost::transform_iterator< DerefFunc, typename BaseType::ConstElementIterator, const Fragment & >	ConstElementIterator
	A constant random access iterator used to iterate over the pointed-to objects. More...

typedef boost::transform_iterator< DerefFunc, typename BaseType::ConstReverseElementIterator, const Fragment & >	ConstReverseElementIterator
	A constant random access iterator used to iterate over the pointed-to objects in reverse order. More...

typedef boost::transform_iterator< DerefFunc, typename BaseType::ElementIterator, Fragment & >	ElementIterator
	A mutable random access iterator used to iterate over the pointed-to objects. More...

typedef boost::transform_iterator< DerefFunc, typename BaseType::ReverseElementIterator, Fragment & >	ReverseElementIterator
	A mutable random access iterator used to iterate over the pointed-to objects in reverse order. More...

Public Types inherited from CDPL::Util::Array< typename ValueType::SharedPointer >
typedef std::vector< typename ValueType::SharedPointer >	StorageType

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

typedef typename ValueType::SharedPointer	ElementType
	The type of objects stored by the array. More...

typedef std::size_t	SizeType
	The type of objects stored by the array. More...

typedef Array	BaseType
	Specifies for derived classes the type of the `Array` base class. More...

typedef StorageType::const_iterator	ConstElementIterator
	A constant random access iterator used to iterate over the elements of the array. More...

typedef StorageType::const_reverse_iterator	ConstReverseElementIterator
	A constant random access iterator used to iterate over the elements of the array in reverse order. More...

typedef StorageType::iterator	ElementIterator
	A mutable random access iterator used to iterate over the elements of the array. More...

typedef StorageType::reverse_iterator	ReverseElementIterator
	A mutable random access iterator used to iterate over the elements of the array in reverse order. More...

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

	ComponentSet (const MolecularGraph &molgraph)
	Constructs a `ComponentSet` instance that contains the componenents of the molecular graph molgraph. More...

void	perceive (const MolecularGraph &molgraph)
	Replaces the current set of components by the components of the molecular graph molgraph. More...

Public Member Functions inherited from CDPL::Util::IndirectArray< Fragment >
	IndirectArray ()
	Creates an empty array. More...

	IndirectArray (std::size_t num_elem, const typename ValueType::SharedPointer &ptr=typename ValueType::SharedPointer())
	Creates and initializes the array with num_elem copies of ptr. More...

	IndirectArray (const InputIter &first, const InputIter &last)
	Creates and initializes the array with copies of the pointers in the range [first, last). More...

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

ElementIterator	insertElement (const ElementIterator &it, const typename ValueType::SharedPointer &ptr)
	Inserts a new element before the location specified by the iterator it. More...

void	insertElement (std::size_t idx, const Fragment &value=Fragment())
	Inserts a new element before the location specified by the index idx. More...

ElementIterator	insertElement (const ElementIterator &it, const Fragment &value=Fragment())
	Inserts a new element before the location specified by the iterator it. More...

void	insertElements (const ElementIterator &it, std::size_t num_elem, const typename ValueType::SharedPointer &ptr)
	Inserts num_elem copies of ptr before the location specified by the iterator it. More...

void	insertElements (const ElementIterator &it, const InputIter &first, const InputIter &last)
	Inserts the range of pointers [first, last) before the location specified by the iterator it. More...

void	insertElements (std::size_t idx, std::size_t num_elem, const Fragment &value=Fragment())
	Inserts num_elem copies of value before the location specified by the index idx. More...

void	insertElements (const ElementIterator &it, std::size_t num_elem, const Fragment &value=Fragment())
	Inserts num_elem copies of value before the location specified by the iterator it. More...

void	insertElements (std::size_t idx, const InputIter &first, const InputIter &last)
	Inserts the range of elements [first, last) before the location specified by the index idx. More...

void	insertElements (const ElementIterator &it, const InputIter &first, const InputIter &last)
	Inserts the range of elements [first, last) before the location specified by the iterator it. More...

ElementIterator	removeElement (const ElementIterator &it)
	Removes the element at the position specified by the iterator it. More...

void	removeElement (std::size_t idx)
	Removes the element at the position specified by the index idx. More...

ElementIterator	removeElement (const ElementIterator &it)
	Removes the element at the position specified by the iterator it. More...

ElementIterator	removeElements (const ElementIterator &first, const ElementIterator &last)
	Removes the elements pointed to by the iterators in the range [first, last). More...

ElementIterator	removeElements (const ElementIterator &first, const ElementIterator &last)
	Removes the elements pointed to by the iterators in the range [first, last). More...

const Fragment &	getFirstElement () const
	Returns a `const` reference to the object pointed to by the first element of the array. More...

Fragment &	getFirstElement ()
	Returns a non-`const` reference to the object pointed to by the first element of the array. More...

const Fragment &	getLastElement () const
	Returns a `const` reference to the object pointed to by the last element of the array. More...

Fragment &	getLastElement ()
	Returns a non-`const` reference to the object pointed to by the last element of the array. More...

ConstElementIterator	getElementsBegin () const
	Returns a constant iterator over the pointed-to objects that points to the beginning of the array. More...

ElementIterator	getElementsBegin ()
	Returns a mutable iterator over the pointed-to objects that points to the beginning of the array. More...

ConstElementIterator	getElementsEnd () const
	Returns a constant iterator over the pointed-to objects that points to the end of the array. More...

ElementIterator	getElementsEnd ()
	Returns a mutable iterator over the pointed-to objects that points to the end of the array. More...

ConstElementIterator	begin () const
	Returns a constant iterator over the pointed-to objects that points to the beginning of the array. More...

ElementIterator	begin ()
	Returns a mutable iterator over the pointed-to objects that points to the beginning of the array. More...

ConstElementIterator	end () const
	Returns a constant iterator over the pointed-to objects that points to the end of the array. More...

ElementIterator	end ()
	Returns a mutable iterator over the pointed-to objects that points to the end of the array. More...

ConstReverseElementIterator	getElementsReverseBegin () const
	Returns a constant iterator over the pointed-to objects that points to the beginning of the reversed array. More...

ReverseElementIterator	getElementsReverseBegin ()
	Returns a mutable iterator over the pointed-to objects that points to the beginning of the reversed array. More...

ConstReverseElementIterator	getElementsReverseEnd () const
	Returns a constant iterator over the pointed-to objects that points to the end of the reversed array. More...

ReverseElementIterator	getElementsReverseEnd ()
	Returns a mutable iterator over the pointed-to objects that points to the end of the reversed array. More...

const Fragment &	getElement (std::size_t idx) const
	Returns a `const` reference to the object pointed-to by the pointer element at index idx. More...

Fragment &	getElement (std::size_t idx)
	Returns a non-`const` reference to the object pointed-to by the pointer element at index idx. More...

const Fragment &	operator[] (std::size_t idx) const
	Returns a `const` reference to the object pointed-to by the pointer element at index idx. More...

Fragment &	operator[] (std::size_t idx)
	Returns a non-`const` reference to the object pointed-to by the pointer element at index idx. More...

Public Member Functions inherited from CDPL::Util::Array< typename ValueType::SharedPointer >
	Array ()
	Creates an empty array. More...

	Array (std::size_t num_elem, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Creates and initializes the array with num_elem copies of value. More...

	Array (const InputIter &first, const InputIter &last)
	Creates and initializes the array with copies of the elements in the range [first, last). More...

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

StorageType &	getData ()

const StorageType &	getData () const

BaseType &	getBase ()
	Returns a non-`const` reference to itself. More...

const BaseType &	getBase () const
	Returns a `const` reference to itself. More...

std::size_t	getSize () const
	Returns the number of elements stored in the array. More...

std::size_t	size () const
	Returns the number of elements stored in the array. More...

bool	isEmpty () const
	Tells whether the array is empty (getSize() == 0). More...

void	resize (std::size_t num_elem, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts or erases elements at the end so that the size becomes num_elem. More...

void	reserve (std::size_t num_elem)
	Preallocates memory for (at least) num_elem elements. More...

std::size_t	getCapacity () const
	Returns the number of elements for which memory has been allocated. More...

void	clear ()
	Erases all elements. More...

void	swap (Array &array)
	Swaps the contents with array. More...

void	assign (std::size_t num_elem, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	This function fills the array with num_elem copies of the given value. More...

void	assign (const InputIter &first, const InputIter &last)
	This function fills a vector with copies of the elements in the range [first, last). More...

void	addElement (const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts a new element at the end of the array. More...

void	insertElement (std::size_t idx, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts a new element before the location specified by the index idx. More...

ElementIterator	insertElement (const ElementIterator &it, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts a new element before the location specified by the iterator it. More...

void	insertElements (std::size_t idx, std::size_t num_elem, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts num_elem copies of value before the location specified by the index idx. More...

void	insertElements (const ElementIterator &it, std::size_t num_elem, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Inserts num_elem copies of value before the location specified by the iterator it. More...

void	insertElements (std::size_t idx, const InputIter &first, const InputIter &last)
	Inserts the range of elements [first, last) before the location specified by the index idx. More...

void	insertElements (const ElementIterator &it, const InputIter &first, const InputIter &last)
	Inserts the range of elements [first, last) before the location specified by the iterator it. More...

void	popLastElement ()
	Removes the last element of the array. More...

void	removeElement (std::size_t idx)
	Removes the element at the position specified by the index idx. More...

ElementIterator	removeElement (const ElementIterator &it)
	Removes the element at the position specified by the iterator it. More...

ElementIterator	removeElements (const ElementIterator &first, const ElementIterator &last)
	Removes the elements pointed to by the iterators in the range [first, last). More...

const typename ValueType::SharedPointer &	getFirstElement () const
	Returns a `const` reference to the first element of the array. More...

typename ValueType::SharedPointer &	getFirstElement ()
	Returns a non-`const` reference to the first element of the array. More...

const typename ValueType::SharedPointer &	getLastElement () const
	Returns a `const` reference to the last element of the array. More...

typename ValueType::SharedPointer &	getLastElement ()
	Returns a non-`const` reference to the last element of the array. More...

ConstElementIterator	getElementsBegin () const
	Returns a constant iterator pointing to the beginning of the array. More...

ElementIterator	getElementsBegin ()
	Returns a mutable iterator pointing to the beginning of the array. More...

ConstElementIterator	getElementsEnd () const
	Returns a constant iterator pointing to the end of the array. More...

ElementIterator	getElementsEnd ()
	Returns a mutable iterator pointing to the end of the array. More...

ConstElementIterator	begin () const
	Returns a constant iterator pointing to the beginning of the array. More...

ElementIterator	begin ()
	Returns a mutable iterator pointing to the beginning of the array. More...

ConstElementIterator	end () const
	Returns a constant iterator pointing to the end of the array. More...

ElementIterator	end ()
	Returns a mutable iterator pointing to the end of the array. More...

ConstReverseElementIterator	getElementsReverseBegin () const
	Returns a constant iterator pointing to the beginning of the reversed array. More...

ReverseElementIterator	getElementsReverseBegin ()
	Returns a mutable iterator pointing to the beginning of the reversed array. More...

ConstReverseElementIterator	getElementsReverseEnd () const
	Returns a constant iterator pointing to the end of the reversed array. More...

ReverseElementIterator	getElementsReverseEnd ()
	Returns a mutable iterator pointing to the end of the reversed array. More...

const typename ValueType::SharedPointer &	getElement (std::size_t idx) const
	Returns a `const` reference to the element at index idx. More...

typename ValueType::SharedPointer &	getElement (std::size_t idx)
	Returns a non-`const` reference to the element at index idx. More...

void	setElement (std::size_t idx, const typename ValueType::SharedPointer &value=typename ValueType::SharedPointer())
	Assigns a new value to the element specified by the index idx. More...

const typename ValueType::SharedPointer &	operator[] (std::size_t idx) const
	Returns a `const` reference to the element at index idx. More...

typename ValueType::SharedPointer &	operator[] (std::size_t idx)
	Returns a non-`const` reference to the element at index idx. More...

Additional Inherited Members
Protected Member Functions inherited from CDPL::Util::Array< typename ValueType::SharedPointer >
void	checkIfNonEmpty () const

void	checkIndex (std::size_t idx, bool allow_end) const

void	checkIterator (const ElementIterator &it, bool allow_end)

void	checkIterator (const ConstElementIterator &it, bool allow_end) const

Detailed Description

Implements the perception of molecular graph components.

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<ComponentSet> CDPL::Chem::ComponentSet::SharedPointer

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

Constructor & Destructor Documentation

◆ ComponentSet() [1/2]

CDPL::Chem::ComponentSet::ComponentSet ( )

inline

Constructs an empty ComponentSet instance.

◆ ComponentSet() [2/2]

CDPL::Chem::ComponentSet::ComponentSet ( const MolecularGraph & molgraph )

Constructs a ComponentSet instance that contains the componenents of the molecular graph molgraph.

Parameters

molgraph The molecular graph for which to perceive the components.

Member Function Documentation

◆ perceive()

void CDPL::Chem::ComponentSet::perceive ( const MolecularGraph & molgraph )

Replaces the current set of components by the components of the molecular graph molgraph.