#include <BALL/NMR/peak.h>

Inheritance diagram for BALL::Peak< PositionType >:

Public Types
Typedefs
typedef PositionType	Position

Public Member Functions
Constructors and Destructors
	Peak ()
	Peak (const Peak &peak)
virtual	~Peak ()
Accessors
const Position &	getPosition () const
const Position &	getWidth () const
float	getIntensity () const
void	setPosition (const Position &position)
void	setWidth (const Position &width)
void	setIntensity (float intensity)
const Atom *	getAtom () const
void	setAtom (const Atom *atom)
Assignment
void	operator= (const Peak &peak)
Public Member Functions inherited from BALL::PropertyManager
BALL_INLINE	PropertyManager ()
	Default constructor.
BALL_INLINE	PropertyManager (const PropertyManager &property_manager)
	Copy constructor.
virtual	~PropertyManager ()
	Destructor.
virtual void	clear ()
	Clears all properties.
virtual void	destroy ()
	Clears all properties.
void	set (const PropertyManager &property_manager)
const PropertyManager &	operator= (const PropertyManager &property_manager)
void	get (PropertyManager &property_manager) const
void	swap (PropertyManager &property_manager)
BitVector &	getBitVector ()
const BitVector &	getBitVector () const
	operator BitVector & ()
void	setProperty (Property property)
void	clearProperty (Property property)
void	toggleProperty (Property property)
Size	countProperties () const
const NamedProperty &	getNamedProperty (Position index) const
NamedProperty &	getNamedProperty (Position index)
void	setProperty (const NamedProperty &property)
void	setProperty (const std::string &name)
void	setProperty (const std::string &name, bool value)
void	setProperty (const std::string &name, int value)
void	setProperty (const std::string &name, unsigned int value)
void	setProperty (const std::string &name, float value)
void	setProperty (const std::string &name, double value)
void	setProperty (const std::string &name, const std::string &value)
void	setProperty (const std::string &name, const PersistentObject &value)
const NamedProperty &	getProperty (const std::string &name) const
NamedPropertyIterator	beginNamedProperty ()
NamedPropertyIterator	endNamedProperty ()
void	clearProperty (const std::string &name)
Size	countNamedProperties () const
bool	hasProperty (Property property) const
	Query for an unnamed property.
bool	hasProperty (const std::string &name) const
	Query for a named property.
bool	operator== (const PropertyManager &pm) const
bool	operator!= (const PropertyManager &pm) const
	Inequality operator.
void	write (PersistenceManager &pm) const
	Persistent stream writing.
bool	read (PersistenceManager &pm)
	Persistent stream reading.
bool	isValid () const
void	dump (std::ostream &s=std::cout, Size depth=0) const

Predicates
Position	position_
Position	width_
float	intensity_
const Atom *	atom_
bool	operator== (const Peak< PositionType > &peak) const
bool	operator< (const Peak< PositionType > &peak) const
bool	operator> (const Peak< PositionType > &peak) const

Detailed Description

template<typename PositionType>
class BALL::Peak< PositionType >

Generic Peak Class. Each peak contains a pointer to an associated atom (in the case of NMR: the atom that causes this peak).

Definition at line 35 of file peak.h.

Member Typedef Documentation

◆ Position

template<typename PositionType>

typedef PositionType BALL::Peak< PositionType >::Position

Definition at line 44 of file peak.h.

Constructor & Destructor Documentation

◆ Peak() [1/2]

template<typename PositionType>

BALL::Peak< PositionType >::Peak ( )

Default Constructor

Definition at line 136 of file peak.h.

◆ Peak() [2/2]

template<typename PositionType>

BALL::Peak< PositionType >::Peak ( const Peak< PositionType > & peak )

Copy Constructor

Definition at line 151 of file peak.h.

◆ ~Peak()

template<typename PositionType>

BALL::Peak< PositionType >::~Peak ( )

virtual

Destructor

Definition at line 146 of file peak.h.

Member Function Documentation

◆ getAtom()

template<typename PositionType>

BALL_INLINE const Atom * BALL::Peak< PositionType >::getAtom ( ) const

Return the atom pointer.

Definition at line 204 of file peak.h.

◆ getIntensity()

template<typename PositionType>

BALL_INLINE float BALL::Peak< PositionType >::getIntensity ( ) const

Return the peak intensity (amplitude).

Definition at line 190 of file peak.h.

◆ getPosition()

template<typename PositionType>

BALL_INLINE const Peak< PositionType >::Position & BALL::Peak< PositionType >::getPosition ( ) const

Return the peak position.

Definition at line 162 of file peak.h.

◆ getWidth()

template<typename PositionType>

BALL_INLINE const Peak< PositionType >::Position & BALL::Peak< PositionType >::getWidth ( ) const

Return the peak width.

Definition at line 169 of file peak.h.

◆ operator<()

template<typename PositionType>

bool BALL::Peak< PositionType >::operator< ( const Peak< PositionType > & peak ) const

Lesser than operator

Definition at line 235 of file peak.h.

◆ operator=()

template<typename PositionType>

void BALL::Peak< PositionType >::operator= ( const Peak< PositionType > & peak )

Assignment Operator

Definition at line 217 of file peak.h.

◆ operator==()

template<typename PositionType>

bool BALL::Peak< PositionType >::operator== ( const Peak< PositionType > & peak ) const

Equality operator

Definition at line 226 of file peak.h.

◆ operator>()

template<typename PositionType>

bool BALL::Peak< PositionType >::operator> ( const Peak< PositionType > & peak ) const

Greater than operator

Definition at line 241 of file peak.h.

◆ setAtom()

template<typename PositionType>

BALL_INLINE void BALL::Peak< PositionType >::setAtom ( const Atom * atom )

Set the atom pointer.

Definition at line 211 of file peak.h.

◆ setIntensity()

template<typename PositionType>

BALL_INLINE void BALL::Peak< PositionType >::setIntensity ( float intensity )

Set the peak height

Definition at line 197 of file peak.h.

◆ setPosition()

template<typename PositionType>

BALL_INLINE void BALL::Peak< PositionType >::setPosition ( const Position & position )

Set the peak position.

Definition at line 176 of file peak.h.

◆ setWidth()

template<typename PositionType>

BALL_INLINE void BALL::Peak< PositionType >::setWidth ( const Position & width )

Set the peak width

Definition at line 183 of file peak.h.

Member Data Documentation

◆ atom_

template<typename PositionType>

const Atom* BALL::Peak< PositionType >::atom_

protected

Definition at line 132 of file peak.h.

◆ intensity_

template<typename PositionType>

float BALL::Peak< PositionType >::intensity_

protected

Definition at line 131 of file peak.h.

◆ position_

template<typename PositionType>

Position BALL::Peak< PositionType >::position_

protected

Definition at line 129 of file peak.h.

◆ width_

template<typename PositionType>

Position BALL::Peak< PositionType >::width_

protected

Definition at line 130 of file peak.h.

Public Types

Public Member Functions

Predicates

Detailed Description

Member Typedef Documentation

◆ Position

Constructor & Destructor Documentation

◆ Peak() [1/2]

◆ Peak() [2/2]

◆ ~Peak()

Member Function Documentation

◆ getAtom()

◆ getIntensity()

◆ getPosition()

◆ getWidth()

◆ operator<()

◆ operator=()

◆ operator==()

◆ operator>()

◆ setAtom()

◆ setIntensity()

◆ setPosition()

◆ setWidth()

Member Data Documentation

◆ atom_

◆ intensity_

◆ position_

◆ width_