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RDKit
Open-source cheminformatics and machine learning.
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#include <Transform3D.h>
Public Member Functions | |
| Transform3D () | |
| Constructor. | |
| void | setToIdentity () |
| void | TransformPoint (Point3D &pt) const |
| void | SetTranslation (const Point3D &move) |
| Set the translation vector. | |
| void | SetRotation (double angle, AxisType axis) |
| set the rotation matrix | |
| void | SetRotation (double angle, const Point3D &axis) |
| set the rotation matrix | |
| void | SetRotation (double cosT, double sinT, const Point3D &axis) |
| void | SetRotationFromQuaternion (const double quaternion[4]) |
| Set the rotation matrix from a quaternion. | |
| void | Reflect () |
| Reflect the rotation. | |
Public Member Functions inherited from RDNumeric::SquareMatrix< double > | |
| SquareMatrix () | |
| brief Square matrix of size N | |
| SquareMatrix (unsigned int N) | |
| SquareMatrix (unsigned int N, double val) | |
| SquareMatrix (unsigned int N, typename Matrix< double >::DATA_SPTR data) | |
| SquareMatrix< double > & | operator*= (double scale) override |
| Multiplication by a scalar. | |
| virtual SquareMatrix< double > & | operator*= (const SquareMatrix< double > &B) |
| In place matrix multiplication. | |
| virtual SquareMatrix< double > & | transposeInplace () |
| In place matrix transpose. | |
| SquareMatrix () | |
| brief Square matrix of size N | |
| SquareMatrix (unsigned int N) | |
| SquareMatrix (unsigned int N, double val) | |
| SquareMatrix (unsigned int N, typename Matrix< double >::DATA_SPTR data) | |
| SquareMatrix< double > & | operator*= (double scale) override |
| Multiplication by a scalar. | |
| virtual SquareMatrix< double > & | operator*= (const SquareMatrix< double > &B) |
| In place matrix multiplication. | |
| virtual SquareMatrix< double > & | transposeInplace () |
| In place matrix transpose. | |
Public Member Functions inherited from RDNumeric::Matrix< double > | |
| Matrix (unsigned int nRows, unsigned int nCols) | |
| Initialize with a size. | |
| Matrix (unsigned int nRows, unsigned int nCols, double val) | |
| Initialize with a size and default value. | |
| Matrix (unsigned int nRows, unsigned int nCols, DATA_SPTR data) | |
| Initialize from a pointer. | |
| Matrix (const Matrix< double > &other) | |
| copy constructor | |
| virtual | ~Matrix () |
| unsigned int | numRows () const |
| returns the number of rows | |
| unsigned int | numCols () const |
| returns the number of columns | |
| unsigned int | getDataSize () const |
| virtual double | getVal (unsigned int i, unsigned int j) const |
| returns a particular element of the matrix | |
| virtual void | setVal (unsigned int i, unsigned int j, double val) |
| sets a particular element of the matrix | |
| virtual double | getValUnchecked (unsigned int i, unsigned int j) const |
| returns a particular element of the matrix | |
| virtual void | setValUnchecked (unsigned int i, unsigned int j, double val) |
| sets a particular element of the matrix | |
| virtual void | getRow (unsigned int i, Vector< double > &row) const |
| returns a copy of a row of the matrix | |
| virtual void | getCol (unsigned int i, Vector< double > &col) const |
| returns a copy of a column of the matrix | |
| double * | getData () |
| returns a pointer to our data array | |
| const double * | getData () const |
| returns a const pointer to our data array | |
| Matrix< double > & | assign (const Matrix< double > &other) |
| Copy operator. | |
| virtual Matrix< double > & | operator+= (const Matrix< double > &other) |
| Matrix addition. | |
| virtual Matrix< double > & | operator-= (const Matrix< double > &other) |
| Matrix subtraction. | |
| virtual Matrix< double > & | operator/= (double scale) |
| division by a scalar | |
| virtual Matrix< double > & | transpose (Matrix< double > &transpose) const |
| copies the transpose of this Matrix into another, returns the result | |
| Matrix (unsigned int nRows, unsigned int nCols) | |
| Initialize with a size. | |
| Matrix (unsigned int nRows, unsigned int nCols, double val) | |
| Initialize with a size and default value. | |
| Matrix (unsigned int nRows, unsigned int nCols, DATA_SPTR data) | |
| Initialize from a pointer. | |
| Matrix (const Matrix< double > &other) | |
| copy constructor | |
| virtual | ~Matrix () |
| unsigned int | numRows () const |
| returns the number of rows | |
| unsigned int | numCols () const |
| returns the number of columns | |
| unsigned int | getDataSize () const |
| virtual double | getVal (unsigned int i, unsigned int j) const |
| returns a particular element of the matrix | |
| virtual void | setVal (unsigned int i, unsigned int j, double val) |
| sets a particular element of the matrix | |
| virtual double | getValUnchecked (unsigned int i, unsigned int j) const |
| returns a particular element of the matrix | |
| virtual void | setValUnchecked (unsigned int i, unsigned int j, double val) |
| sets a particular element of the matrix | |
| virtual void | getRow (unsigned int i, Vector< double > &row) const |
| returns a copy of a row of the matrix | |
| virtual void | getCol (unsigned int i, Vector< double > &col) const |
| returns a copy of a column of the matrix | |
| double * | getData () |
| returns a pointer to our data array | |
| const double * | getData () const |
| returns a const pointer to our data array | |
| Matrix< double > & | assign (const Matrix< double > &other) |
| Copy operator. | |
| virtual Matrix< double > & | operator+= (const Matrix< double > &other) |
| Matrix addition. | |
| virtual Matrix< double > & | operator-= (const Matrix< double > &other) |
| Matrix subtraction. | |
| virtual Matrix< double > & | operator/= (double scale) |
| division by a scalar | |
| virtual Matrix< double > & | transpose (Matrix< double > &transpose) const |
| copies the transpose of this Matrix into another, returns the result | |
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 () | |
| Matrix () | |
Protected Attributes inherited from RDNumeric::Matrix< double > | |
| unsigned int | d_nRows |
| unsigned int | d_nCols |
| unsigned int | d_dataSize |
| DATA_SPTR | d_data |
| unsigned int | d_nRows |
| unsigned int | d_nCols |
| unsigned int | d_dataSize |
| DATA_SPTR | d_data |
Definition at line 22 of file Transform3D.h.
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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 41 of file Transform3D.h.
References RDNumeric::Matrix< double >::d_data, RDGeom::DIM_3D, and RDNumeric::SquareMatrix< double >::SquareMatrix().
| void RDGeom::Transform3D::Reflect | ( | ) |
Reflect the rotation.
| void RDGeom::Transform3D::SetRotation | ( | double | angle, |
| AxisType | axis ) |
set the rotation matrix
The rotation matrix is set to rotation by the specified angle about the specified axis
Referenced by RDGeom::compute14Dist3D().
| void RDGeom::Transform3D::SetRotation | ( | double | angle, |
| const Point3D & | axis ) |
set the rotation matrix
The rotation matrix is set to rotation by the specified angle about an arbitrary axis. Note: if the axis is not a unit vector scaling will also occur. This can be ensured by a call to Point3D::normalize() prior to calling this method
| void RDGeom::Transform3D::SetRotation | ( | double | cosT, |
| double | sinT, | ||
| const Point3D & | axis ) |
| void RDGeom::Transform3D::SetRotationFromQuaternion | ( | const double | quaternion[4] | ) |
Set the rotation matrix from a quaternion.
| void RDGeom::Transform3D::setToIdentity | ( | ) |
| void RDGeom::Transform3D::SetTranslation | ( | const Point3D & | move | ) |
Set the translation vector.
| void RDGeom::Transform3D::TransformPoint | ( | Point3D & | pt | ) | const |
Referenced by RDGeom::compute14Dist3D().