BALL::AssignBondOrderProcessor::PQ_Entry_ Class Reference

#include <BALL/STRUCTURE/assignBondOrderProcessor.h>

List of all members.


Public Member Functions

 PQ_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

Detailed Description

Definition at line 528 of file assignBondOrderProcessor.h.


Constructor & Destructor Documentation

BALL::AssignBondOrderProcessor::PQ_Entry_::PQ_Entry_ (  ) 
BALL::AssignBondOrderProcessor::PQ_Entry_::~PQ_Entry_ (  ) 

Member Function Documentation

void BALL::AssignBondOrderProcessor::PQ_Entry_::clear (  ) 
float BALL::AssignBondOrderProcessor::PQ_Entry_::coarsePenalty (  )  const [inline]

Definition at line 559 of file assignBondOrderProcessor.h.

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

Definition at line 548 of file assignBondOrderProcessor.h.

float BALL::AssignBondOrderProcessor::PQ_Entry_::finePenalty (  )  const [inline]

Definition at line 565 of file assignBondOrderProcessor.h.

bool BALL::AssignBondOrderProcessor::PQ_Entry_::operator< ( const PQ_Entry_ b  )  const

Friends And Related Function Documentation

friend class AssignBondOrderProcessor [friend]

Definition at line 530 of file assignBondOrderProcessor.h.


Member Data Documentation

Definition at line 589 of file assignBondOrderProcessor.h.

Definition at line 590 of file assignBondOrderProcessor.h.

Definition at line 591 of file assignBondOrderProcessor.h.

Definition at line 575 of file assignBondOrderProcessor.h.

Definition at line 568 of file assignBondOrderProcessor.h.

Definition at line 570 of file assignBondOrderProcessor.h.

Definition at line 578 of file assignBondOrderProcessor.h.

Definition at line 592 of file assignBondOrderProcessor.h.


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