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 <eigen3/Eigen/Core>
#include <eigen3/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 &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, 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 &centeredRefPnts, const Eigen::MatrixXd &centeredTargetPnts, const Eigen::VectorXd &quat, std::vector< double > *rmsdList, int nop, double scale)
 Calculate the RMSD. More...