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

A writer for molecular graph data in the PSD-format of the CDPL. More...

#include <PSDMolecularGraphWriter.hpp>

+ Inheritance diagram for CDPL::Pharm::PSDMolecularGraphWriter:

Public Member Functions

 PSDMolecularGraphWriter (std::iostream &ios)
 Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the I/O stream ios. More...
 
 PSDMolecularGraphWriter (const std::string &file_name)
 Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the output file file_name. More...
 
 ~PSDMolecularGraphWriter ()
 
PSDMolecularGraphWriterwrite (const Chem::MolecularGraph &molgraph)
 Writes the data object obj. More...
 
void close ()
 Writes format dependent data (if required) to mark the end of output. More...
 
 operator const void * () const
 
bool operator! () const
 
- Public Member Functions inherited from CDPL::Base::DataWriter< Chem::MolecularGraph >
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< Chem::MolecularGraph >
typedef std::shared_ptr< DataWriterSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated DataWriter instances. More...
 
typedef Chem::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< Chem::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...
 

Detailed Description

A writer for molecular graph data in the PSD-format of the CDPL.

Constructor & Destructor Documentation

◆ PSDMolecularGraphWriter() [1/2]

CDPL::Pharm::PSDMolecularGraphWriter::PSDMolecularGraphWriter ( std::iostream &  ios)

Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the I/O stream ios.

Parameters
iosThe I/O stream to write to.

◆ PSDMolecularGraphWriter() [2/2]

CDPL::Pharm::PSDMolecularGraphWriter::PSDMolecularGraphWriter ( const std::string &  file_name)

Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the output file file_name.

Parameters
file_nameThe output file to write to.

◆ ~PSDMolecularGraphWriter()

CDPL::Pharm::PSDMolecularGraphWriter::~PSDMolecularGraphWriter ( )

Member Function Documentation

◆ write()

PSDMolecularGraphWriter& CDPL::Pharm::PSDMolecularGraphWriter::write ( const Chem::MolecularGraph obj)
virtual

Writes the data object obj.

Parameters
objThe data object to write.
Returns
A reference to itself.
Exceptions
Base::IOErrorif an I/O error occurred.

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

◆ close()

void CDPL::Pharm::PSDMolecularGraphWriter::close ( )
virtual

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

Exceptions
Base::IOErrorif an I/O error occurred.

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

◆ operator const void *()

CDPL::Pharm::PSDMolecularGraphWriter::operator const void * ( ) const

◆ operator!()

bool CDPL::Pharm::PSDMolecularGraphWriter::operator! ( ) const

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