AssignShiftProcessor Class Reference
[NMR spectra and related classes]

Set a property called chemical_shift. More...

#include <assignShiftProcessor.h>

Inheritance diagram for AssignShiftProcessor:

List of all members.

Public Member Functions
Constructors and Destructors
	AssignShiftProcessor ()
	Default constructor.
	AssignShiftProcessor (const vector< NMRAtomData > &atom_data)
	Detailed constructor.
	AssignShiftProcessor (const AssignShiftProcessor &processor)
	Copy constructor.
virtual	~AssignShiftProcessor ()
	Destructor.
Processor specific functions.
virtual bool	start ()
	Start method.
virtual Processor::Result	operator() (Composite &composite)
	Application method.
Accessors
void	setFragmentDB (const FragmentDB *db) throw ()
const FragmentDB *	getFragmentDB () throw ()
bool	isValid () const throw ()
	Return the state of the object.
Protected Attributes
StringHashMap< float >	shift_table_
const std::vector< NMRAtomData > &	atom_data_
const Molecule *	molecule_
Position	number_of_fragment_
FragmentDB *	fragment_db_

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Detailed Description

Set a property called chemical_shift.

You have to set the FragmentDB after you create an instance of this processor.

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Constructor & Destructor Documentation

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

Detailed constructor.

AssignShiftProcessor::AssignShiftProcessor (  const AssignShiftProcessor &  processor  )

Copy constructor.

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Member Function Documentation

virtual bool AssignShiftProcessor::start (   )  [virtual]

Start method. Reimplemented from UnaryProcessor< Composite >.