JohnsonBoveyShiftProcessor Class Reference
[Shift modules]

Shift assignment processor implementing Johnson Bovey theory. More...

#include <johnsonBoveyShiftProcessor.h>

Inheritance diagram for JohnsonBoveyShiftProcessor:

List of all members.

Public Member Functions
Constructors and Destructors
	JohnsonBoveyShiftProcessor () throw ()
	Default constructor.
virtual	~JohnsonBoveyShiftProcessor () throw ()
	Destructor.
Processor specific functions.
virtual bool	start () throw ()
	Start method.
virtual bool	finish () throw ()
	Finish method.
virtual Processor::Result	operator() (Composite &composite) throw ()
	Application method.
Accessors
virtual void	init () throw ()
	Initialize all parameters required.
Static Public Attributes
Enums and Constants
const char *	PROPERTY__RING_CURRENT_SHIFT
	A symbolic name for the ring current contribution to the chemical shift.
Protected Member Functions
double	carlsonEllipticalIntegral1_ (double, double, double)
double	carlsonEllipticalIntegral2_ (double, double, double)
double	legendreEllipticalIntegral1_ (double, double)
double	legendreEllipticalIntegral2_ (double, double)
Protected Attributes
std::list< Atom * >	proton_list_
std::list< Atom * >	atom_list_
std::list< Residue * >	aromat_list_
StringHashMap< Ring >	rings_
StringHashMap< Position >	residues_with_rings_
std::vector< Expression >	expressions_

---

Detailed Description

Shift assignment processor implementing Johnson Bovey theory.

---

Constructor & Destructor Documentation

JohnsonBoveyShiftProcessor::JohnsonBoveyShiftProcessor (   )  throw ()

Default constructor.

---

Member Function Documentation

virtual bool JohnsonBoveyShiftProcessor::finish (   )  throw () [virtual]

Finish method. Reimplemented from ShiftModule.

virtual bool JohnsonBoveyShiftProcessor::start (   )  throw () [virtual]

Start method. Reimplemented from ShiftModule.

---

Member Data Documentation

const char* JohnsonBoveyShiftProcessor::PROPERTY__RING_CURRENT_SHIFT [static]

A symbolic name for the ring current contribution to the chemical shift. See also: ShiftModule::PROPERTY__SHIFT