absOrientation.hpp File Reference
#include <algorithm>#include <array>#include <fstream>#include <iostream>#include <iterator>#include <math.h>#include <memory>#include <sstream>#include <string>#include <sys/stat.h>#include <vector>#include <Spectra/SymEigsShiftSolver.h>#include <Spectra/SymEigsSolver.h>#include <Eigen/Core>#include <Eigen/Dense>#include <mol_sys.hpp>#include <ring.hpp>#include <seams_input.hpp>#include <seams_output.hpp>
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Namespaces | |
| absor | |
Functions | |
| int | absor::hornAbsOrientation (const Eigen::MatrixXd &refPoints, const Eigen::MatrixXd &targetPoints, std::vector< double > *quat, double *rmsd, std::vector< double > *rmsdList, double *scale) |
| Get the absolute orientation using Horn's algorithm (with quaternions) More... | |
| Eigen::MatrixXd | absor::calcMatrixS (const Eigen::MatrixXd ¢eredRefPnts, const Eigen::MatrixXd ¢eredTargetPnts, int nop, int dim) |
| Eigen::MatrixXd | absor::calcMatrixN (const Eigen::MatrixXd &S) |
| Eigen::MatrixXd | absor::centerWRTcentroid (const Eigen::MatrixXd &pointSet) |
| Center a point set wrt the centroid. More... | |
| double | absor::calcScaleFactor (const Eigen::MatrixXd &rightSys, const Eigen::MatrixXd &leftSys, int n) |
| Calculate the scale factor from the centered left and right point sets. More... | |
| Eigen::MatrixXd | absor::quat2RotMatrix (const Eigen::VectorXd &quat) |
| Get a rotation matrix from a unit quaternion. More... | |
| double | absor::getRMSD (const Eigen::MatrixXd ¢eredRefPnts, const Eigen::MatrixXd ¢eredTargetPnts, const Eigen::VectorXd &quat, std::vector< double > *rmsdList, int nop, double scale) |
| Calculate the RMSD. More... | |