Chemical Data Processing Library C++ API - Version 1.1.1
Public Member Functions | Static Public Attributes | List of all members
CDPL::Shape::PrincipalAxesAlignmentStartGenerator Class Reference

#include <PrincipalAxesAlignmentStartGenerator.hpp>

+ Inheritance diagram for CDPL::Shape::PrincipalAxesAlignmentStartGenerator:

Public Member Functions

 PrincipalAxesAlignmentStartGenerator ()
 
unsigned int setupReference (GaussianShapeFunction &func, Math::Matrix4D &xform) const
 
unsigned int setupAligned (GaussianShapeFunction &func, Math::Matrix4D &xform) const
 
void genShapeCenterStarts (bool generate)
 
bool genShapeCenterStarts () const
 
void genColorCenterStarts (bool generate)
 
bool genColorCenterStarts () const
 
void genNonColorCenterStarts (bool generate)
 
bool genNonColorCenterStarts () const
 
void genRandomStarts (bool generate)
 
bool genRandomStarts () const
 
void genForAlignedShapeCenters (bool generate)
 
bool genForAlignedShapeCenters () const
 
void genForReferenceShapeCenters (bool generate)
 
bool genForReferenceShapeCenters () const
 
void genForLargerShapeCenters (bool generate)
 
bool genForLargerShapeCenters () const
 
void setSymmetryThreshold (double thresh)
 
double getSymmetryThreshold ()
 
void setMaxRandomTranslation (double max_trans)
 
double getMaxRandomTranslation () const
 
void setNumRandomStarts (std::size_t num_starts)
 
std::size_t getNumRandomStarts () const
 
void setRandomSeed (unsigned int seed)
 
void setReference (const GaussianShapeFunction &func, unsigned int sym_class)
 
bool generate (const GaussianShapeFunction &func, unsigned int sym_class)
 
std::size_t getNumStartTransforms () const
 
std::size_t getNumStartSubTransforms () const
 
const QuaternionTransformationgetStartTransform (std::size_t idx) const
 
- Public Member Functions inherited from CDPL::Shape::GaussianShapeAlignmentStartGenerator
virtual ~GaussianShapeAlignmentStartGenerator ()
 

Static Public Attributes

static constexpr double DEF_SYMMETRY_THRESHOLD = 0.15
 
static constexpr std::size_t DEF_NUM_RANDOM_STARTS = 4
 
static constexpr double DEF_MAX_RANDOM_TRANSLATION = 2.0
 

Constructor & Destructor Documentation

◆ PrincipalAxesAlignmentStartGenerator()

CDPL::Shape::PrincipalAxesAlignmentStartGenerator::PrincipalAxesAlignmentStartGenerator ( )

Member Function Documentation

◆ setupReference()

unsigned int CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setupReference ( GaussianShapeFunction func,
Math::Matrix4D xform 
) const
virtual

◆ setupAligned()

unsigned int CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setupAligned ( GaussianShapeFunction func,
Math::Matrix4D xform 
) const
virtual

◆ genShapeCenterStarts() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genShapeCenterStarts ( bool  generate)

◆ genShapeCenterStarts() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genShapeCenterStarts ( ) const

◆ genColorCenterStarts() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genColorCenterStarts ( bool  generate)

◆ genColorCenterStarts() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genColorCenterStarts ( ) const

◆ genNonColorCenterStarts() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genNonColorCenterStarts ( bool  generate)

◆ genNonColorCenterStarts() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genNonColorCenterStarts ( ) const

◆ genRandomStarts() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genRandomStarts ( bool  generate)

◆ genRandomStarts() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genRandomStarts ( ) const

◆ genForAlignedShapeCenters() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForAlignedShapeCenters ( bool  generate)

◆ genForAlignedShapeCenters() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForAlignedShapeCenters ( ) const

◆ genForReferenceShapeCenters() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForReferenceShapeCenters ( bool  generate)

◆ genForReferenceShapeCenters() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForReferenceShapeCenters ( ) const

◆ genForLargerShapeCenters() [1/2]

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForLargerShapeCenters ( bool  generate)

◆ genForLargerShapeCenters() [2/2]

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::genForLargerShapeCenters ( ) const

◆ setSymmetryThreshold()

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setSymmetryThreshold ( double  thresh)

◆ getSymmetryThreshold()

double CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getSymmetryThreshold ( )

◆ setMaxRandomTranslation()

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setMaxRandomTranslation ( double  max_trans)

◆ getMaxRandomTranslation()

double CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getMaxRandomTranslation ( ) const

◆ setNumRandomStarts()

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setNumRandomStarts ( std::size_t  num_starts)

◆ getNumRandomStarts()

std::size_t CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getNumRandomStarts ( ) const

◆ setRandomSeed()

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setRandomSeed ( unsigned int  seed)

◆ setReference()

void CDPL::Shape::PrincipalAxesAlignmentStartGenerator::setReference ( const GaussianShapeFunction func,
unsigned int  sym_class 
)
virtual

◆ generate()

bool CDPL::Shape::PrincipalAxesAlignmentStartGenerator::generate ( const GaussianShapeFunction func,
unsigned int  sym_class 
)
virtual

◆ getNumStartTransforms()

std::size_t CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getNumStartTransforms ( ) const
virtual

◆ getNumStartSubTransforms()

std::size_t CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getNumStartSubTransforms ( ) const
virtual

◆ getStartTransform()

const QuaternionTransformation& CDPL::Shape::PrincipalAxesAlignmentStartGenerator::getStartTransform ( std::size_t  idx) const
virtual

Member Data Documentation

◆ DEF_SYMMETRY_THRESHOLD

constexpr double CDPL::Shape::PrincipalAxesAlignmentStartGenerator::DEF_SYMMETRY_THRESHOLD = 0.15
staticconstexpr

◆ DEF_NUM_RANDOM_STARTS

constexpr std::size_t CDPL::Shape::PrincipalAxesAlignmentStartGenerator::DEF_NUM_RANDOM_STARTS = 4
staticconstexpr

◆ DEF_MAX_RANDOM_TRANSLATION

constexpr double CDPL::Shape::PrincipalAxesAlignmentStartGenerator::DEF_MAX_RANDOM_TRANSLATION = 2.0
staticconstexpr

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