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DistGeom::ChiralSet Class Reference

Class used to store a quartet of points and chiral volume bounds on them. More...

#include <ChiralSet.h>

Public Member Functions

 ChiralSet (unsigned int pid0, unsigned int pid1, unsigned int pid2, unsigned int pid3, unsigned int pid4, double lowerVolBound, double upperVolBound)
 
double getUpperVolumeBound () const
 
double getLowerVolumeBound () const
 

Public Attributes

unsigned int d_idx0
 
unsigned int d_idx1
 
unsigned int d_idx2
 
unsigned int d_idx3
 
unsigned int d_idx4
 
double d_volumeLowerBound
 
double d_volumeUpperBound
 

Detailed Description

Class used to store a quartet of points and chiral volume bounds on them.

Definition at line 24 of file ChiralSet.h.

Constructor & Destructor Documentation

◆ ChiralSet()

DistGeom::ChiralSet::ChiralSet ( unsigned int pid0,
unsigned int pid1,
unsigned int pid2,
unsigned int pid3,
unsigned int pid4,
double lowerVolBound,
double upperVolBound )
inline

Definition at line 34 of file ChiralSet.h.

References CHECK_INVARIANT.

Member Function Documentation

◆ getLowerVolumeBound()

double DistGeom::ChiralSet::getLowerVolumeBound ( ) const
inline

Definition at line 51 of file ChiralSet.h.

◆ getUpperVolumeBound()

double DistGeom::ChiralSet::getUpperVolumeBound ( ) const
inline

Definition at line 49 of file ChiralSet.h.

Member Data Documentation

◆ d_idx0

unsigned int DistGeom::ChiralSet::d_idx0

Definition at line 26 of file ChiralSet.h.

◆ d_idx1

unsigned int DistGeom::ChiralSet::d_idx1

Definition at line 27 of file ChiralSet.h.

◆ d_idx2

unsigned int DistGeom::ChiralSet::d_idx2

Definition at line 28 of file ChiralSet.h.

◆ d_idx3

unsigned int DistGeom::ChiralSet::d_idx3

Definition at line 29 of file ChiralSet.h.

◆ d_idx4

unsigned int DistGeom::ChiralSet::d_idx4

Definition at line 30 of file ChiralSet.h.

◆ d_volumeLowerBound

double DistGeom::ChiralSet::d_volumeLowerBound

Definition at line 31 of file ChiralSet.h.

◆ d_volumeUpperBound

double DistGeom::ChiralSet::d_volumeUpperBound

Definition at line 32 of file ChiralSet.h.


The documentation for this class was generated from the following file: