CDPL::Pharm::PSDPharmacophoreReader Class Reference

A reader for pharmacophore data in the PSD-format of the CDPL. More...

#include <PSDPharmacophoreReader.hpp>

Inheritance diagram for CDPL::Pharm::PSDPharmacophoreReader:

Public Member Functions
	PSDPharmacophoreReader (std::istream &is)
	Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input stream is. More...
	PSDPharmacophoreReader (const std::string &file_name)
	Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input file file_name. More...
	~PSDPharmacophoreReader ()
PSDPharmacophoreReader &	read (Pharmacophore &pharm, bool overwrite=true)
PSDPharmacophoreReader &	read (std::size_t idx, Pharmacophore &pharm, bool overwrite=true)
PSDPharmacophoreReader &	skip ()
	Skips the data record at the current record index. More...
bool	hasMoreData ()
	Tells if there are any data records left to read. More...
std::size_t	getRecordIndex () const
void	setRecordIndex (std::size_t idx)
	Sets the index of the current data record to idx. More...
std::size_t	getNumRecords ()
	Returns the total number of available data records. More...
	operator const void * () const
bool	operator! () const
Public Member Functions inherited from CDPL::Base::DataReader< Pharmacophore >
virtual DataReader &	read (DataType &obj, bool overwrite=true)=0
	Reads the data record at the current record index and stores the read data in obj. More...
virtual DataReader &	read (std::size_t idx, DataType &obj, bool overwrite=true)=0
	Reads the data record at index idx and stores the read data in obj. More...
virtual std::size_t	getRecordIndex () const=0
	Returns the index of the current data record. More...
virtual	operator const void * () const=0
	Returns a pointer whose value indicates the error state of the reader. More...
virtual bool	operator! () const=0
	Tells whether the reader is in a bad state. More...
virtual void	close ()
	Performs a reader specific shutdown operation (if required). 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::DataReader< Pharmacophore >
typedef Pharmacophore	DataType
	The type of the read data objects. More...
typedef std::shared_ptr< DataReader >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated DataReader instances. 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::DataReader< Pharmacophore >
DataReader &	operator= (const DataReader &reader)
	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 reader for pharmacophore data in the PSD-format of the CDPL.

Constructor & Destructor Documentation

PSDPharmacophoreReader() [1/2]

CDPL::Pharm::PSDPharmacophoreReader::PSDPharmacophoreReader

(

std::istream &

is

)

Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input stream is.

Parameters

is	The input stream to read from.

PSDPharmacophoreReader() [2/2]

CDPL::Pharm::PSDPharmacophoreReader::PSDPharmacophoreReader

(

const std::string &

file_name

)

Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input file file_name.

Parameters

file_name

The input file to read from.

~PSDPharmacophoreReader()

CDPL::Pharm::PSDPharmacophoreReader::~PSDPharmacophoreReader

(

)

Member Function Documentation

read() [1/2]

PSDPharmacophoreReader& CDPL::Pharm::PSDPharmacophoreReader::read	(	Pharmacophore &	pharm,
		bool	overwrite = true
	)

read() [2/2]

PSDPharmacophoreReader& CDPL::Pharm::PSDPharmacophoreReader::read	(	std::size_t	idx,
		Pharmacophore &	pharm,
		bool	overwrite = true
	)

skip()

PSDPharmacophoreReader& CDPL::Pharm::PSDPharmacophoreReader::skip ( )

virtual

Skips the data record at the current record index.

If the operation was successful, the record index is incremented by 1.

Returns

A reference to itself.

Exceptions

Base::IOError

if an I/O error occurred.

Implements CDPL::Base::DataReader< Pharmacophore >.

hasMoreData()

bool CDPL::Pharm::PSDPharmacophoreReader::hasMoreData ( )

virtual

Tells if there are any data records left to read.

Returns

true if there are data records left to read, and false otherwise.

Exceptions

Base::IOError

if an I/O error occurred.

Implements CDPL::Base::DataReader< Pharmacophore >.

getRecordIndex()

std::size_t CDPL::Pharm::PSDPharmacophoreReader::getRecordIndex

(

)

const

setRecordIndex()

void CDPL::Pharm::PSDPharmacophoreReader::setRecordIndex ( std::size_t  idx )

virtual

Sets the index of the current data record to idx.

Parameters

idx	The zero-based index of the data record.

Exceptions

Base::IndexError

if idx is greater or equal to the number of available data records. Base::IOError if an I/O error occurred.

Implements CDPL::Base::DataReader< Pharmacophore >.

getNumRecords()

std::size_t CDPL::Pharm::PSDPharmacophoreReader::getNumRecords ( )

virtual

Returns the total number of available data records.

Returns

The total number of available data records.

Exceptions

Base::IOError

if an I/O error occurred.

Implements CDPL::Base::DataReader< Pharmacophore >.

operator const void *()

CDPL::Pharm::PSDPharmacophoreReader::operator const void *

(

)

const

operator!()

bool CDPL::Pharm::PSDPharmacophoreReader::operator!

(

)

const

---

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

• PSDPharmacophoreReader.hpp