RDKit
Open-source cheminformatics and machine learning.
Transform2D.h
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//
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// Copyright (C) 2003-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <
RDGeneral/export.h
>
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#ifndef __RD_TRANSFORM2D_H__
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#define __RD_TRANSFORM2D_H__
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#include "
Transform.h
"
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#include <
Numerics/SquareMatrix.h
>
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namespace
RDGeom
{
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class
Point2D;
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const
unsigned
int
DIM_2D
= 3;
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class
RDKIT_RDGEOMETRYLIB_EXPORT
Transform2D
:
public
RDNumeric::SquareMatrix
<double> {
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public
:
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//! \brief Constructor
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/*!
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Initialize to an identity matrix transformation
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This is a 3x3 matrix that includes the rotation and translation parts
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see Foley's "Introduction to Computer Graphics" for the representation
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Operator *= and = are provided by the parent class square matrix.
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Operator *= needs some explanation, since the order matters. This transform
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gets set to
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the combination other and the current state of this transform
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If this_old and this_new are the states of this object before and after this
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function
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we have
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this_new(point) = this_old(other(point))
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*/
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Transform2D
() :
RDNumeric
::SquareMatrix<double>(DIM_2D, 0.0) {
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unsigned
int
i, id;
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for
(i = 0; i <
DIM_2D
; i++) {
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id
= i * (DIM_2D + 1);
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d_data[id] = 1.0;
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}
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}
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void
setToIdentity();
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void
TransformPoint(
Point2D
&pt)
const
;
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void
SetTranslation(
const
Point2D
&pt);
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/*! \brief Set the tranform so that the specified points are aligned
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*
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* The resulting tranformation will align pt1 with ref1, and rotation
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* pt2 such that the line betweem (pt1, pt2) will align with
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* with the line (ref1, ref2)
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*/
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void
SetTransform(
const
Point2D
&ref1,
const
Point2D
&ref2,
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const
Point2D
&pt1,
const
Point2D
&pt2);
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/*! \brief Set the trans form to counterclock wise rotation by the specified
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*value around point
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*
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* ARGUMENTS:
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* - pt : point about which to rotate
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* - angle : the angle byt which to rotate
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*/
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void
SetTransform(
const
Point2D
&pt,
double
angle);
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private
:
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};
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}
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/*! \brief Combine two transforms and return the results as a new transform
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*
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* The order is important here, on two transforms t1 and t2
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* t3 = t1*t2
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* The resulting transform t3 has the folliwng effect
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* t3(point) = t1(t2(point))
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*/
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RDKIT_RDGEOMETRYLIB_EXPORT
RDGeom::Transform2D
operator*
(
const
RDGeom::Transform2D
&t1,
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const
RDGeom::Transform2D
&t2);
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#endif
RDKIT_RDGEOMETRYLIB_EXPORT
#define RDKIT_RDGEOMETRYLIB_EXPORT
Definition:
export.h:502
SquareMatrix.h
RDNumeric
Definition:
AlignPoints.h:18
export.h
RDGeom::Transform2D
Definition:
Transform2D.h:21
RDGeom::Transform2D::Transform2D
Transform2D()
Constructor.
Definition:
Transform2D.h:38
RDGeom::Point2D
Definition:
point.h:255
Transform.h
RDNumeric::SquareMatrix
Definition:
SquareMatrix.h:18
RDGeom::DIM_2D
const unsigned int DIM_2D
Definition:
Transform2D.h:19
RDGeom::operator*
RDKIT_RDGEOMETRYLIB_EXPORT RDGeom::Point3D operator*(const RDGeom::Point3D &p1, double v)
RDGeom
Definition:
TorsionAngleM6.h:20
Geometry
Transform2D.h
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