Transform3D.h

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// 
//   Copyright (C) 2005-2006 Rational Discovery LLC
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
#ifndef __RD_TRANSFORM3D_H__
#define __RD_TRANSFORM3D_H__

#include "Transform.h"

#include <Numerics/SquareMatrix.h>

namespace RDGeom {
  class Point3D;
  const unsigned int DIM_3D=4;
  
  class Transform3D : public RDNumeric::SquareMatrix<double> {
  public:
    //!  Constructor
    /*!
      Initialize to an identity matrix transformation.
      This is a 4x4 matrix that includes the rotation and translation parts
      see Foley's "Introduction to Computer Graphics" for the representation
      
      Operator *= and = are provided by the parent class square matrix. 
      Operator *= needs some explanation, since the order matters. This transform gets set to
      the combination other and the current state of this transform
      If this_old and this_new are the states of this object before and after this function
      we have
              this_new(point) = this_old(other(point))
     */
     
    Transform3D() : RDNumeric::SquareMatrix<double>(DIM_3D,0.0) {
      unsigned int i, id;
      for (i = 0; i < DIM_3D; i++) {
        id = i*(DIM_3D+1);
        d_data[id] = 1.0;
      }
    }
    
    void setToIdentity();

    void TransformPoint(Point3D &pt) const;

    /*! \brief Set the translation vector
     */
    void SetTranslation(const Point3D &move);

    /*! \brief set the rotation matrix 
     *
     * The rotation matrix is set to rotation by th specified angle
     * about the specified axis
     */
    void SetRotation(double angle, AxisType axis);

    /*! \brief set the rotation matrix 
     *
     * The rotation matrix is set to rotation by th specified angle
     * about an arbitrary axis
     */
    void SetRotation(double angle, const Point3D &axis);
    void SetRotation(double cosT,double sinT,const Point3D &axis);

    //! Set the rotation matrix from a quaternion
    void SetRotationFromQuaternion(double quaternion[4]);

    //! Reflect the rotation 
    void Reflect();

  private:
    
  };
}

/*! \brief Combine two transforms and return the results as a new transform
 *
 * The order is important here, on two transforms t1 and t2
 * t3 = t1*t2 
 * The resulting transform t3 has the folliwng effect
 *  t3(point) = t1(t2(point))
 */
RDGeom::Transform3D operator* (const RDGeom::Transform3D &t1, const RDGeom::Transform3D &t2);

/*! \brief Transform a point:
 *
 */
RDGeom::Point3D operator* (const RDGeom::Transform3D &t, const RDGeom::Point3D &pt);


#endif