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IRACompare::SymmetryResult Struct Reference

#include <IRACompare.h>

Public Attributes

std::string pointGroup
int nOperations {0}
std::vector< Eigen::Matrix3d > operations
std::vector< std::string > operationLabels
std::vector< double > angles
std::vector< Eigen::Vector3d > axes
int error {0}

Detailed Description

Definition at line 33 of file IRACompare.h.

Member Data Documentation

◆ angles

std::vector<double> eonc::IRACompare::SymmetryResult::angles

Definition at line 38 of file IRACompare.h.

◆ axes

std::vector<Eigen::Vector3d> eonc::IRACompare::SymmetryResult::axes

Definition at line 39 of file IRACompare.h.

◆ error

int eonc::IRACompare::SymmetryResult::error {0}

Definition at line 40 of file IRACompare.h.

40{0};

◆ nOperations

int eonc::IRACompare::SymmetryResult::nOperations {0}

Definition at line 35 of file IRACompare.h.

35{0};

◆ operationLabels

std::vector<std::string> eonc::IRACompare::SymmetryResult::operationLabels

Definition at line 37 of file IRACompare.h.

◆ operations

std::vector<Eigen::Matrix3d> eonc::IRACompare::SymmetryResult::operations

Definition at line 36 of file IRACompare.h.

◆ pointGroup

std::string eonc::IRACompare::SymmetryResult::pointGroup

Definition at line 34 of file IRACompare.h.

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