BALL::AssignBondOrderProcessor::PQ_Entry_ Class Reference

#include <BALL/STRUCTURE/assignBondOrderProcessor.h>

List of all members.

Public Member Functions
	PQ_Entry_ ()
	PQ_Entry_ (const PQ_Entry_ &entry)
	~PQ_Entry_ ()
void	clear ()
bool	operator< (const PQ_Entry_ &b) const
float	coarsePenalty (float atom_type_penalty, float bond_length_penalty) const
float	coarsePenalty () const
float	finePenalty () const
Public Attributes
float	estimated_atom_type_penalty
float	estimated_bond_length_penalty
vector< short >	bond_orders
Position	last_bond
Static Public Attributes
static float	alpha
static float	atom_type_normalization_factor
static float	bond_length_normalization_factor
static bool	use_fine_penalty
Friends
class	AssignBondOrderProcessor

---

Constructor & Destructor Documentation

BALL::AssignBondOrderProcessor::PQ_Entry_::PQ_Entry_

(

)

BALL::AssignBondOrderProcessor::PQ_Entry_::PQ_Entry_

(

const PQ_Entry_ &

entry

)

BALL::AssignBondOrderProcessor::PQ_Entry_::~PQ_Entry_

(

)

---

Member Function Documentation

void BALL::AssignBondOrderProcessor::PQ_Entry_::clear

(

)

float BALL::AssignBondOrderProcessor::PQ_Entry_::coarsePenalty

(

)

const [inline]

float BALL::AssignBondOrderProcessor::PQ_Entry_::coarsePenalty	(	float	atom_type_penalty,
		float	bond_length_penalty
	)			const [inline]

float BALL::AssignBondOrderProcessor::PQ_Entry_::finePenalty

(

)

const [inline]

bool BALL::AssignBondOrderProcessor::PQ_Entry_::operator<

(

const PQ_Entry_ &

b

)

const

---

Friends And Related Function Documentation

friend class AssignBondOrderProcessor [friend]

---

Member Data Documentation

float BALL::AssignBondOrderProcessor::PQ_Entry_::alpha [static]

float BALL::AssignBondOrderProcessor::PQ_Entry_::atom_type_normalization_factor [static]

float BALL::AssignBondOrderProcessor::PQ_Entry_::bond_length_normalization_factor [static]

vector<short> BALL::AssignBondOrderProcessor::PQ_Entry_::bond_orders

float BALL::AssignBondOrderProcessor::PQ_Entry_::estimated_atom_type_penalty

float BALL::AssignBondOrderProcessor::PQ_Entry_::estimated_bond_length_penalty

Position BALL::AssignBondOrderProcessor::PQ_Entry_::last_bond

bool BALL::AssignBondOrderProcessor::PQ_Entry_::use_fine_penalty [static]