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Protected Attributes | List of all members
BALL::Peak< PositionType > Class Template Reference
NMR spectra and related classes

#include <BALL/NMR/peak.h>

Inheritance diagram for BALL::Peak< PositionType >:
BALL::PropertyManager

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)
 
Predicates
bool operator== (const Peak< PositionType > &peak) const
 
bool operator< (const Peak< PositionType > &peak) const
 
bool operator> (const Peak< PositionType > &peak) const
 
- Public Member Functions inherited from BALL::PropertyManager
BALL_INLINE PropertyManager ()
 Default constructor. More...
 
BALL_INLINE PropertyManager (const PropertyManager &property_manager)
 Copy constructor. More...
 
virtual ~PropertyManager ()
 Destructor. More...
 
virtual void clear ()
 Clears all properties. More...
 
virtual void destroy ()
 Clears all properties. More...
 
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 string &name)
 
void setProperty (const string &name, bool value)
 
void setProperty (const string &name, int value)
 
void setProperty (const string &name, unsigned int value)
 
void setProperty (const string &name, float value)
 
void setProperty (const string &name, double value)
 
void setProperty (const string &name, const string &value)
 
void setProperty (const string &name, const PersistentObject &value)
 
const NamedProperty & getProperty (const string &name) const
 
NamedPropertyIterator beginNamedProperty ()
 
NamedPropertyIterator endNamedProperty ()
 
void clearProperty (const string &name)
 
Size countNamedProperties () const
 
bool hasProperty (Property property) const
 Query for an unnamed property. More...
 
bool hasProperty (const string &name) const
 Query for a named property. More...
 
bool operator== (const PropertyManager &pm) const
 
bool operator!= (const PropertyManager &pm) const
 Inequality operator. More...
 
void write (PersistenceManager &pm) const
 Persistent stream writing. More...
 
bool read (PersistenceManager &pm)
 Persistent stream reading. More...
 
bool isValid () const
 
void dump (std::ostream &s=std::cout, Size depth=0) const
 

Protected Attributes

Position position_
 
Position width_
 
float intensity_
 
const Atom * atom_
 

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

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

Definition at line 44 of file peak.h.

Constructor & Destructor Documentation

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

Default Constructor

Definition at line 136 of file peak.h.

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

Copy Constructor

Definition at line 151 of file peak.h.

template<typename PositionType >
BALL::Peak< PositionType >::~Peak ( )
virtual

Destructor

Definition at line 146 of file peak.h.

Member Function Documentation

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

Return the atom pointer.

Definition at line 204 of file peak.h.

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

Return the peak intensity (amplitude).

Definition at line 190 of file peak.h.

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.

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.

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

Lesser than operator

Definition at line 235 of file peak.h.

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

Assignment Operator

Definition at line 217 of file peak.h.

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

Equality operator

Definition at line 226 of file peak.h.

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

Greater than operator

Definition at line 241 of file peak.h.

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.

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

Set the peak height

Definition at line 197 of file peak.h.

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.

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

template<typename PositionType>
const Atom* BALL::Peak< PositionType >::atom_
protected

Definition at line 132 of file peak.h.

template<typename PositionType>
float BALL::Peak< PositionType >::intensity_
protected

Definition at line 131 of file peak.h.

template<typename PositionType>
Position BALL::Peak< PositionType >::position_
protected

Definition at line 129 of file peak.h.

template<typename PositionType>
Position BALL::Peak< PositionType >::width_
protected

Definition at line 130 of file peak.h.

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