Vector3D.h

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/**
 *  \file IMP/algebra/Vector3D.h   \brief Simple 3D vector class.
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 *
 */

#ifndef IMPALGEBRA_VECTOR_3D_H
#define IMPALGEBRA_VECTOR_3D_H

#include <IMP/base/types.h>
#include <IMP/base/base_macros.h>
#include <IMP/base/exception.h>

#include <numeric>
//#include <cmath>

#include "VectorD.h"

IMPALGEBRA_BEGIN_NAMESPACE


/** \name 3D Vectors
    We provide a specialization of VectorD for 3-space and
    several additional functions on it.
    @{
*/

//! Returns the vector product (cross product) of two vectors.
/** \relatesalso Vector3D
 */
inline Vector3D get_vector_product(const Vector3D& p1,
                                     const Vector3D& p2) {
  return Vector3D(p1[1]*p2[2]-p1[2]*p2[1],
                  p1[2]*p2[0]-p1[0]*p2[2],
                  p1[0]*p2[1]-p1[1]*p2[0]);
}
//! Return a vector that is perpendicular to the given vector
/** Or, if you are Israeli, it is a vertical vector.
    \relatesalso Vector3D
*/
inline Vector3D get_orthogonal_vector(const Vector3D &v) {
  unsigned int maxi=0;
  if (std::abs(v[1]) > std::abs(v[0])) maxi=1;
  if (std::abs(v[2]) > std::abs(v[maxi])) maxi=2;
  if (std::abs(v[maxi]) < .0001) {
    return Vector3D(0.0,0.0,0.0);
  } else {
    Vector3D ret= get_ones_vector_d<3>();
    ret[maxi]=(-v[(maxi+1)%3]-v[(maxi+2)%3])/v[maxi];
    IMP_INTERNAL_CHECK(ret*v < .0001, "Vectors are not perpendicular");
    return ret;
  }
}

//! Returns the centroid of a set of vectors
/** \relatesalso Vector3D
 */
inline Vector3D get_centroid(const Vector3Ds &ps) {
  return std::accumulate(ps.begin(), ps.end(),
                         get_zero_vector_d<3>())/ps.size();
}

//! Return the radius of gyration of a set of points
/**
   \see IMP::atom::get_radius_of_gyration()
 */
inline double get_radius_of_gyration(const Vector3Ds &ps) {
  algebra::Vector3D centroid= get_centroid(ps);
  double rg = 0;
  for (unsigned int i = 0; i < ps.size(); i++) {
    rg += get_squared_distance(ps[i], centroid);
  }
  rg /= ps.size();
  return sqrt(rg);
}


/** @} */

IMPALGEBRA_END_NAMESPACE

#endif  /* IMPALGEBRA_VECTOR_3D_H */