A writer for molecular graph data in the Chemical Markup Language [CML] format. More...

#include <CMLMolecularGraphWriter.hpp>

Inheritance diagram for CDPL::Chem::CMLMolecularGraphWriter:

Public Member Functions
	CMLMolecularGraphWriter (std::ostream &os)
	Constructs a `CMLMolecularGraphWriter` instance that will write data of molecular graphs to the output stream os. More...

	CMLMolecularGraphWriter (const CMLMolecularGraphWriter &)=delete

	~CMLMolecularGraphWriter ()
	Destructor. More...

CMLMolecularGraphWriter &	operator= (const CMLMolecularGraphWriter &)=delete

Base::DataWriter< MolecularGraph > &	write (const MolecularGraph &molgraph)
	Writes data of the molecular graph molgraph to the output stream specified in the constructor. More...

void	close ()
	Writes format dependent data (if required) to mark the end of output. More...

	operator const void * () const
	Returns a pointer whose value indicates the error state of the writer. More...

bool	operator! () const
	Tells whether the writer is in a bad state. More...

Public Member Functions inherited from CDPL::Base::DataWriter< MolecularGraph >
virtual DataWriter &	write (const DataType &obj)=0
	Writes the data object obj. More...

Public Member Functions inherited from CDPL::Base::DataIOBase
std::size_t	registerIOCallback (const IOCallbackFunction &func)
	Registers an I/O callback target function. More...

void	unregisterIOCallback (std::size_t id)
	Unregisters the I/O callback function specified by id. More...

void	invokeIOCallbacks (double progress) const
	Invokes all registered I/O callback functions with the argument `*this`. More...

void	clearIOCallbacks ()
	Clears all registered I/O callback functions. More...

Public Member Functions inherited from CDPL::Base::ControlParameterContainer
std::size_t	getNumParameters () const
	Returns the number of container entries. More...

template<typename T >
void	setParameter (const LookupKey &key, T &&val)
	Sets the value of the control-parameter specified by key to val. More...

const Any &	getParameter (const LookupKey &key, bool throw_=false, bool local=false) const
	Returns the value of the control-parameter specified by key. More...

template<typename T >
const T &	getParameter (const LookupKey &key, bool local=false) const
	Returns the value of the control-parameter specified by key as a `const` reference to an object of type T. More...

template<typename T >
const T &	getParameterOrDefault (const LookupKey &key, const T &def_val, bool local=false) const
	Returns the value of the control-parameter 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...

bool	removeParameter (const LookupKey &key)
	Removes the entry for the control-parameter specified by key. More...

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

bool	isParameterSet (const LookupKey &key, bool local=false) const
	Tells whether or not a value has been assigned to the control-parameter specified by key. More...

void	addParameters (const ControlParameterContainer &cntnr)
	Adds the control-parameter value entries in the `ControlParameterContainer` instance cntnr. More...

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

ConstParameterIterator	getParametersBegin () const
	Returns a constant iterator pointing to the beginning of the entries. More...

ConstParameterIterator	getParametersEnd () const
	Returns a constant iterator pointing to the end of the entries. More...

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

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

void	setParent (const ControlParameterContainer *cntnr)
	Sets or removes the parent control-parameter container used to resolve requests for missing entries. More...

const ControlParameterContainer *	getParent () const
	Returns a pointer to the parent control-parameter container. More...

std::size_t	registerParameterChangedCallback (const ParameterChangedCallbackFunction &func)
	Registers a callback target function that gets invoked when the value of a control-parameter has changed. More...

void	unregisterParameterChangedCallback (std::size_t id)
	Unregisters the callback specified by id. More...

std::size_t	registerParameterRemovedCallback (const ParameterRemovedCallbackFunction &func)
	Registers a callback target function that gets invoked when a control-parameter entry has been removed. More...

void	unregisterParameterRemovedCallback (std::size_t id)
	Unregisters the callback specified by id. More...

std::size_t	registerParentChangedCallback (const ParentChangedCallbackFunction &func)
	Registers a callback target function that gets invoked when the parent container has been changed or was detached. More...

void	unregisterParentChangedCallback (std::size_t id)
	Unregisters the callback specified by id. More...

const ControlParameterContainer &	getParameters () const
	Returns a `const` reference to itself. More...

Additional Inherited Members
Public Types inherited from CDPL::Base::DataWriter< MolecularGraph >
typedef std::shared_ptr< DataWriter >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `DataWriter` instances. More...

typedef MolecularGraph	DataType
	The type of the written data objects. More...

Public Types inherited from CDPL::Base::DataIOBase
typedef std::function< void(const DataIOBase &, double)>	IOCallbackFunction
	A functor class used to wrap I/O callback target functions. More...

Public Types inherited from CDPL::Base::ControlParameterContainer
typedef ParameterMap::value_type	ParameterEntry
	A Base::LookupKey / Base::Any pair used to store the control-parameter values and associated keys. More...

typedef ParameterMap::const_iterator	ConstParameterIterator
	A constant iterator used to iterate over the control-parameter entries. More...

typedef std::function< void(const LookupKey &, const Any &)>	ParameterChangedCallbackFunction
	A functor class that wraps callback target functions which get invoked when the value of a control-parameter has changed. More...

typedef std::function< void(const LookupKey &)>	ParameterRemovedCallbackFunction
	A functor class that wraps callback target functions which get invoked when a control-parameter entry has been removed. More...

typedef std::function< void()>	ParentChangedCallbackFunction
	A functor class that wraps callback target functions which get invoked when the parent container has been changed or was detached. More...

Protected Member Functions inherited from CDPL::Base::DataWriter< MolecularGraph >
DataWriter &	operator= (const DataWriter &writer)
	Assignment operator. More...

Protected Member Functions inherited from CDPL::Base::DataIOBase
	DataIOBase ()
	Default constructor. More...

	DataIOBase (const DataIOBase &io_base)
	Copy constructor. More...

	~DataIOBase ()
	Destructor. More...

DataIOBase &	operator= (const DataIOBase &io_base)
	Assignment operator. More...

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

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

virtual	~ControlParameterContainer ()
	Destructor. More...

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

Detailed Description

A writer for molecular graph data in the Chemical Markup Language [CML] format.

Since: 1.2

Constructor & Destructor Documentation

◆ CMLMolecularGraphWriter() [1/2]

CDPL::Chem::CMLMolecularGraphWriter::CMLMolecularGraphWriter ( std::ostream & os )

Constructs a CMLMolecularGraphWriter instance that will write data of molecular graphs to the output stream os.

Parameters

os	The output stream to write to.

◆ CMLMolecularGraphWriter() [2/2]

CDPL::Chem::CMLMolecularGraphWriter::CMLMolecularGraphWriter ( const CMLMolecularGraphWriter & )

delete

◆ ~CMLMolecularGraphWriter()

CDPL::Chem::CMLMolecularGraphWriter::~CMLMolecularGraphWriter ( )

Destructor.

Member Function Documentation

◆ operator=()

CMLMolecularGraphWriter& CDPL::Chem::CMLMolecularGraphWriter::operator= ( const CMLMolecularGraphWriter & )

delete

◆ write()

Base::DataWriter<MolecularGraph>& CDPL::Chem::CMLMolecularGraphWriter::write ( const MolecularGraph & molgraph )

Writes data of the molecular graph molgraph to the output stream specified in the constructor.

Parameters

molgraph The molecular graph to write.

Returns: A reference to itself.

◆ close()

void CDPL::Chem::CMLMolecularGraphWriter::close ( )

virtual

Writes format dependent data (if required) to mark the end of output.

Exceptions

Base::IOError if an I/O error occurred.

Reimplemented from CDPL::Base::DataWriter< MolecularGraph >.

◆ operator const void *()

CDPL::Chem::CMLMolecularGraphWriter::operator const void * ( ) const

virtual

Returns a pointer whose value indicates the error state of the writer.

The operator allows to write expressions like:

if (writer) { ...

if (writer.write(...)) { ...

Returns: A non-null pointer if the writer is in a good state, a null pointer otherwise.

Note: The returned pointer is not meant to be dereferenced, it is just a state indicator.

See also: operator!()

Implements CDPL::Base::DataWriter< MolecularGraph >.

◆ operator!()

bool CDPL::Chem::CMLMolecularGraphWriter::operator! ( ) const

virtual

Tells whether the writer is in a bad state.

The operator allows to write expressions like:

if (!writer) { ...

if (!writer.write(...)) { ...

Returns: false if the writer is in a good state, and true otherwise.

See also: operator const void*()

Implements CDPL::Base::DataWriter< MolecularGraph >.

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

CMLMolecularGraphWriter.hpp

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CMLMolecularGraphWriter() [1/2]

◆ CMLMolecularGraphWriter() [2/2]

◆ ~CMLMolecularGraphWriter()

Member Function Documentation

◆ operator=()

◆ write()

◆ close()

◆ operator const void *()

◆ operator!()