occ::crystal::DimerIndex Struct Reference

Represents a pair of sites in a crystal structure. More...

#include <dimer_mapping_table.h>

Collaboration diagram for occ::crystal::DimerIndex:

Public Member Functions
HKL	hkl_difference () const
	Calculates the HKL difference between the two sites.
bool	operator== (const DimerIndex &other) const
bool	operator< (const DimerIndex &other) const

Public Attributes
SiteIndex	a
	First site of the dimer.
SiteIndex	b
	Second site of the dimer.

Detailed Description

Represents a pair of sites in a crystal structure.

DimerIndex stores two SiteIndex objects representing the endpoints of a dimer, along with functionality to compare and analyze the relative positions.

Member Function Documentation

hkl_difference()

HKL occ::crystal::DimerIndex::hkl_difference ( ) const

inline

Calculates the HKL difference between the two sites.

Returns

HKL vector representing the difference between sites

operator<()

bool occ::crystal::DimerIndex::operator< ( const DimerIndex &  other ) const

inline

operator==()

bool occ::crystal::DimerIndex::operator== ( const DimerIndex &  other ) const

inline

Member Data Documentation

a

SiteIndex occ::crystal::DimerIndex::a

First site of the dimer.

b

SiteIndex occ::crystal::DimerIndex::b

Second site of the dimer.

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

• /home/runner/work/occ/occ/include/occ/crystal/dimer_mapping_table.h