RDKit
Open-source cheminformatics and machine learning.
RDGeom::Transform3D Class Reference

#include <Transform3D.h>

Inheritance diagram for RDGeom::Transform3D:
RDNumeric::SquareMatrix< double > RDNumeric::Matrix< double >

Public Member Functions

 Transform3D ()
 Constructor. More...
 
void setToIdentity ()
 
void TransformPoint (Point3D &pt) const
 
void SetTranslation (const Point3D &move)
 Set the translation vector. More...
 
void SetRotation (double angle, AxisType axis)
 set the rotation matrix More...
 
void SetRotation (double angle, const Point3D &axis)
 set the rotation matrix More...
 
void SetRotation (double cosT, double sinT, const Point3D &axis)
 
void SetRotationFromQuaternion (double quaternion[4])
 Set the rotation matrix from a quaternion. More...
 
void Reflect ()
 Reflect the rotation. More...
 
- Public Member Functions inherited from RDNumeric::SquareMatrix< double >
 SquareMatrix ()
 brief Square matrix of size N More...
 
 SquareMatrix (unsigned int N)
 
 SquareMatrix (unsigned int N, doubleval)
 
 SquareMatrix (unsigned int N, typename Matrix< double >::DATA_SPTR data)
 
virtual SquareMatrix< double > & operator*= (doublescale)
 Multiplication by a scalar. More...
 
virtual SquareMatrix< double > & operator*= (const SquareMatrix< double > &B)
 In place matrix multiplication. More...
 
virtual SquareMatrix< double > & transposeInplace ()
 In place matrix transpose. More...
 
- Public Member Functions inherited from RDNumeric::Matrix< double >
 Matrix (unsigned int nRows, unsigned int nCols)
 Initialize with a size. More...
 
 Matrix (unsigned int nRows, unsigned int nCols, doubleval)
 Initialize with a size and default value. More...
 
 Matrix (unsigned int nRows, unsigned int nCols, DATA_SPTR data)
 Initialize from a pointer. More...
 
 Matrix (const Matrix< double > &other)
 copy constructor More...
 
virtual ~Matrix ()
 
unsigned int numRows () const
 returns the number of rows More...
 
unsigned int numCols () const
 returns the number of columns More...
 
unsigned int getDataSize () const
 
virtual double getVal (unsigned int i, unsigned int j) const
 returns a particular element of the matrix More...
 
virtual void setVal (unsigned int i, unsigned int j, doubleval)
 sets a particular element of the matrix More...
 
virtual void getRow (unsigned int i, Vector< double > &row) const
 returns a copy of a row of the matrix More...
 
virtual void getCol (unsigned int i, Vector< double > &col) const
 returns a copy of a column of the matrix More...
 
double * getData ()
 returns a pointer to our data array More...
 
const double * getData () const
 returns a const pointer to our data array More...
 
Matrix< double > & assign (const Matrix< double > &other)
 Copy operator. More...
 
virtual Matrix< double > & operator+= (const Matrix< double > &other)
 Matrix addition. More...
 
virtual Matrix< double > & operator-= (const Matrix< double > &other)
 Matrix subtraction. More...
 
virtual Matrix< double > & operator/= (doublescale)
 division by a scalar More...
 
virtual Matrix< double > & transpose (Matrix< double > &transpose) const
 copies the transpose of this Matrix into another, returns the result More...
 

Additional Inherited Members

- Public Types inherited from RDNumeric::Matrix< double >
typedef boost::shared_array< double > DATA_SPTR
 
- Protected Member Functions inherited from RDNumeric::Matrix< double >
 Matrix ()
 
- Protected Attributes inherited from RDNumeric::Matrix< double >
unsigned int d_nRows
 
unsigned int d_nCols
 
unsigned int d_dataSize
 
DATA_SPTR d_data
 

Detailed Description

Definition at line 21 of file Transform3D.h.

Constructor & Destructor Documentation

RDGeom::Transform3D::Transform3D ( )
inline

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))

Definition at line 39 of file Transform3D.h.

References RDNumeric::Matrix< double >::d_data, RDGeom::DIM_3D, RDGeom::operator*(), Reflect(), SetRotation(), SetRotationFromQuaternion(), setToIdentity(), SetTranslation(), and TransformPoint().

Member Function Documentation

void RDGeom::Transform3D::Reflect ( )

Reflect the rotation.

Referenced by Transform3D().

void RDGeom::Transform3D::SetRotation ( double  angle,
AxisType  axis 
)

set the rotation matrix

The rotation matrix is set to rotation by th specified angle about the specified axis

Referenced by RDGeom::compute14Dist3D(), and Transform3D().

void RDGeom::Transform3D::SetRotation ( double  angle,
const Point3D axis 
)

set the rotation matrix

The rotation matrix is set to rotation by th specified angle about an arbitrary axis

void RDGeom::Transform3D::SetRotation ( double  cosT,
double  sinT,
const Point3D axis 
)
void RDGeom::Transform3D::SetRotationFromQuaternion ( double  quaternion[4])

Set the rotation matrix from a quaternion.

Referenced by Transform3D().

void RDGeom::Transform3D::setToIdentity ( )

Referenced by Transform3D().

void RDGeom::Transform3D::SetTranslation ( const Point3D move)

Set the translation vector.

Referenced by Transform3D().

void RDGeom::Transform3D::TransformPoint ( Point3D pt) const

The documentation for this class was generated from the following file: