25 #ifndef INCLUDE_MOLASSEMBLER_DISTANCE_GEOMETRY_METRIC_MATRIX_H
26 #define INCLUDE_MOLASSEMBLER_DISTANCE_GEOMETRY_METRIC_MATRIX_H
33 namespace Molassembler {
34 namespace DistanceGeometry {
47 const Eigen::MatrixXd&
access()
const;
58 Eigen::MatrixXd
embed()
const;
78 Eigen::MatrixXd matrix_;
80 void constructFromTemporary_(Eigen::MatrixXd&& distances);
Eigen::MatrixXd embedWithFullDiagonalization() const
Implements embedding employing full diagonalization.
Definition: MetricMatrix.h:36
const Eigen::MatrixXd & access() const
Nonmodifiable access to underlying matrix.
Data struct to store chiral constraints for DG.
Eigen::MatrixXd embed() const
Embeds metric matrix into four dimensional space.