1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
|
//
// 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.
//
#include <RDGeneral/export.h>
#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 RDKIT_RDGEOMETRYLIB_EXPORT 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))
*/
RDKIT_RDGEOMETRYLIB_EXPORT RDGeom::Transform3D operator*(const RDGeom::Transform3D &t1,
const RDGeom::Transform3D &t2);
/*! \brief Transform a point:
*
*/
RDKIT_RDGEOMETRYLIB_EXPORT RDGeom::Point3D operator*(const RDGeom::Transform3D &t,
const RDGeom::Point3D &pt);
#endif
|
