BALL::AssignShiftProcessor Class Reference

#include <BALL/NMR/assignShiftProcessor.h>

Inheritance diagram for BALL::AssignShiftProcessor:
BALL::UnaryProcessor< Composite > BALL::UnaryFunctor< Composite, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 AssignShiftProcessor ()
 AssignShiftProcessor (const vector< NMRAtomData > &atom_data)
 AssignShiftProcessor (const AssignShiftProcessor &processor)
virtual ~AssignShiftProcessor ()
Processor specific functions.
virtual bool start ()
virtual Processor::Result operator() (Composite &composite)
Accessors
void setFragmentDB (const FragmentDB *db)
const FragmentDBgetFragmentDB ()
bool isValid () const

Protected Attributes

StringHashMap< floatshift_table_
const std::vector< NMRAtomData > & atom_data_
const Moleculemolecule_
Position number_of_fragment_
FragmentDBfragment_db_

Detailed Description

Set a property called chemical_shift. You have to set the FragmentDB after you create an instance of this processor.


Constructor & Destructor Documentation

BALL::AssignShiftProcessor::AssignShiftProcessor ( )

Default constructor

BALL::AssignShiftProcessor::AssignShiftProcessor ( const vector< NMRAtomData > &  atom_data)

Detailed constructor.

BALL::AssignShiftProcessor::AssignShiftProcessor ( const AssignShiftProcessor processor)

Copy constructor.

virtual BALL::AssignShiftProcessor::~AssignShiftProcessor ( ) [virtual]

Destructor


Member Function Documentation

const FragmentDB* BALL::AssignShiftProcessor::getFragmentDB ( )
bool BALL::AssignShiftProcessor::isValid ( ) const

Return the state of the object

virtual Processor::Result BALL::AssignShiftProcessor::operator() ( Composite composite) [virtual]

Application method

Reimplemented from BALL::UnaryProcessor< Composite >.

void BALL::AssignShiftProcessor::setFragmentDB ( const FragmentDB db)
virtual bool BALL::AssignShiftProcessor::start ( ) [virtual]

Start method.

Reimplemented from BALL::UnaryProcessor< Composite >.


Member Data Documentation

const std::vector<NMRAtomData>& BALL::AssignShiftProcessor::atom_data_ [protected]