CDPL::Pharm::PSDPharmacophoreReader Class Reference

Reader for pharmacophore data in the CDPL PSD-format. 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 ()
	Destructor. More...
PSDPharmacophoreReader &	read (Pharmacophore &pharm, bool overwrite=true)
	Reads the next pharmacophore into pharm. More...
PSDPharmacophoreReader &	read (std::size_t idx, Pharmacophore &pharm, bool overwrite=true)
	Reads the pharmacophore at record index idx into pharm. More...
PSDPharmacophoreReader &	skip ()
	Skips the next pharmacophore record (advances the current record index). More...
bool	hasMoreData ()
	Tells whether the reader has more records to read. More...
std::size_t	getRecordIndex () const
	Returns the current record index. More...
void	setRecordIndex (std::size_t idx)
	Sets the current record index. More...
std::size_t	getNumRecords ()
	Returns the total number of records. More...
	operator const void * () const
	Tells whether the reader is in a good (readable) state. More...
bool	operator! () const
	Tells whether the reader is in a bad (non-readable) state. More...
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 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

Reader for pharmacophore data in the CDPL PSD-format.

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

(

)

Destructor.

Member Function Documentation

read() [1/2]

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

Reads the next pharmacophore into pharm.

Parameters

pharm	The output pharmacophore.
overwrite	If true, the output pharmacophore is cleared before the database pharmacophore is copied into it.

Returns

A reference to itself.

read() [2/2]

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

Reads the pharmacophore at record index idx into pharm.

Parameters

idx	The zero-based record index.
pharm	The output pharmacophore.
overwrite	If true, the output pharmacophore is cleared before the database pharmacophore is copied into it.

Returns

A reference to itself.

skip()

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

virtual

Skips the next pharmacophore record (advances the current record index).

Returns

A reference to itself.

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

hasMoreData()

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

virtual

Tells whether the reader has more records to read.

Returns

true if at least one more record is available, and false otherwise.

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

getRecordIndex()

std::size_t CDPL::Pharm::PSDPharmacophoreReader::getRecordIndex ( ) const

virtual

Returns the current record index.

Returns

The zero-based record index of the next record to read.

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

setRecordIndex()

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

virtual

Sets the current record index.

Parameters

idx	The new zero-based record index.

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

getNumRecords()

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

virtual

Returns the total number of records.

Returns

The record count.

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

operator const void *()

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

virtual

Tells whether the reader is in a good (readable) state.

Returns

A non-nullptr pointer if the reader is in a good state, and nullptr otherwise.

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

operator!()

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

virtual

Tells whether the reader is in a bad (non-readable) state.

Returns

true if the reader is in a bad state, and false otherwise.

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

---

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

• PSDPharmacophoreReader.hpp