/usr/include/rdkit/Geometry/Transform2D.h is in librdkit-dev 201603.5-2.
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// Copyright (C) 2003-2006 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_TRANSFORM2D_H__
#define __RD_TRANSFORM2D_H__
#include "Transform.h"
#include <Numerics/SquareMatrix.h>
namespace RDGeom {
class Point2D;
const unsigned int DIM_2D = 3;
class Transform2D : public RDNumeric::SquareMatrix<double> {
public:
//! \brief Constructor
/*!
Initialize to an identity matrix transformation
This is a 3x3 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))
*/
Transform2D() : RDNumeric::SquareMatrix<double>(DIM_2D, 0.0) {
unsigned int i, id;
for (i = 0; i < DIM_2D; i++) {
id = i * (DIM_2D + 1);
d_data[id] = 1.0;
}
}
void setToIdentity();
void TransformPoint(Point2D &pt) const;
void SetTranslation(const Point2D &pt);
/*! \brief Set the tranform so that the specified points are aligned
*
* The resulting tranformation will align pt1 with ref1, and rotation
* pt2 such that the line betweem (pt1, pt2) will align with
* with the line (ref1, ref2)
*/
void SetTransform(const Point2D &ref1, const Point2D &ref2,
const Point2D &pt1, const Point2D &pt2);
/*! \brief Set the trans form to counterclock wise rotation by the specified
*value around point
*
* ARGUMENTS:
* - pt : point about which to rotate
* - angle : the angle byt which to rotate
*/
void SetTransform(const Point2D &pt, double angle);
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::Transform2D operator*(const RDGeom::Transform2D &t1,
const RDGeom::Transform2D &t2);
#endif
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