Chemical Data Processing Library C++ API - Version 1.1.1
Public Member Functions | List of all members
CDPL::Chem::XYZMolecularGraphWriter Class Reference

#include <XYZMolecularGraphWriter.hpp>

+ Inheritance diagram for CDPL::Chem::XYZMolecularGraphWriter:

Public Member Functions

 XYZMolecularGraphWriter (std::ostream &os)
 Constructs a XYZMolecularGraphWriter instance that will write data of molecular graphs to the output stream os. More...
 
 ~XYZMolecularGraphWriter ()
 Destructor. More...
 
Base::DataWriter< MolecularGraph > & write (const MolecularGraph &molgraph)
 Writes data of the molecular graph molgraph to the output stream specified in the constructor. More...
 
 operator const void * () const
 
bool operator! () const
 
- Public Member Functions inherited from CDPL::Base::DataWriter< MolecularGraph >
virtual DataWriterwrite (const DataType &obj)=0
 Writes the data object obj. More...
 
virtual void close ()
 Writes format dependent data (if required) to mark the end of output. More...
 
virtual operator const void * () const=0
 Returns a pointer whose value indicates the error state of the writer. More...
 
virtual bool operator! () const=0
 Tells whether the writer is in a bad state. 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 AnygetParameter (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 ControlParameterContainergetParent () 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 ControlParameterContainergetParameters () const
 Returns a const reference to itself. More...
 

Additional Inherited Members

- Public Types inherited from CDPL::Base::DataWriter< MolecularGraph >
typedef std::shared_ptr< DataWriterSharedPointer
 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 >
DataWriteroperator= (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...
 
DataIOBaseoperator= (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...
 
ControlParameterContaineroperator= (const ControlParameterContainer &cntnr)
 Assignment operator. More...
 

Constructor & Destructor Documentation

◆ XYZMolecularGraphWriter()

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

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

Parameters
osThe output stream to write to.

◆ ~XYZMolecularGraphWriter()

CDPL::Chem::XYZMolecularGraphWriter::~XYZMolecularGraphWriter ( )

Destructor.

Member Function Documentation

◆ write()

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

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

Parameters
molgraphThe molecular graph to write.
Returns
A reference to itself.

◆ operator const void *()

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

◆ operator!()

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

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