molecular::util::SphericalHarmonics Namespace Reference

Classes
struct	Sample

Functions
double	AssociatedLegendrePolynomial (int l, int m, double x)
double	Factorial (int x)
	Fast factorial function using a precomputed table. More...
double	ShRenormalisation (int l, int m)
double	SphericalHarmonic (int l, int m, double theta, double phi)
Vector3d	UnitVectorFromSphericalCoords (double theta, double phi)
template<int numBands>
std::vector< Sample< numBands > >	SetupSphericalSamples (unsigned int samplesCount=100)
	Generate samples that are uniformly distributed on a sphere. More...
template std::vector< Sample< 3 > >	SetupSphericalSamples< 3 > (unsigned int samplesCount)
template std::vector< Sample< 4 > >	SetupSphericalSamples< 4 > (unsigned int samplesCount)
template<typename T >
void	OptRotateBand1 (T dst[3], const T src[3], T m00, T m01, T m02, T m10, T m11, T m12, T m20, T m21, T m22)
template<typename T >
void	OptRotateBand2 (T dst[5], const T x[5], T m00, T m01, T m02, T m10, T m11, T m12, T m20, T m21, T m22)
template<typename T >
void	RotateOrder3 (T dst[9], const T src[9], const T mat[3][3])
	Rotate spherical harmonics coefficients by a rotation matrix. More...
template void	RotateOrder3 (double dst[9], const double src[9], const double mat[3][3])
template void	RotateOrder3 (float dst[9], const float src[9], const float mat[3][3])
void	RotateOrder3 (float dst[9], const float src[9], const Matrix3 &mat)
	Rotate spherical harmonics coefficients by a rotation matrix. More...
template<int numBands, typename PolarFunction >
Vector< numBands *numBands, double >	ProjectPolarFunction (PolarFunction func, const std::vector< Sample< numBands >> &samples)

Function Documentation

double molecular::util::SphericalHarmonics::AssociatedLegendrePolynomial	(	int	l,
		int	m,
		double	x
	)

https://en.wikipedia.org/wiki/Associated_Legendre_polynomials

double molecular::util::SphericalHarmonics::Factorial

(

int

x

)

Fast factorial function using a precomputed table.

template<typename T >

void molecular::util::SphericalHarmonics::OptRotateBand1	(	T	dst[3],
		const T	src[3],
		T	m00,
		T	m01,
		T	m02,
		T	m10,
		T	m11,
		T	m12,
		T	m20,
		T	m21,
		T	m22
	)

template<typename T >

void molecular::util::SphericalHarmonics::OptRotateBand2	(	T	dst[5],
		const T	x[5],
		T	m00,
		T	m01,
		T	m02,
		T	m10,
		T	m11,
		T	m12,
		T	m20,
		T	m21,
		T	m22
	)

template<int numBands, typename PolarFunction >

Vector<numBands * numBands, double> molecular::util::SphericalHarmonics::ProjectPolarFunction	(	PolarFunction	func,
		const std::vector< Sample< numBands >> &	samples
	)

template<typename T >

void molecular::util::SphericalHarmonics::RotateOrder3	(	T	dst[9],
		const T	src[9],
		const T	mat[3][3]
	)

Rotate spherical harmonics coefficients by a rotation matrix.

template void molecular::util::SphericalHarmonics::RotateOrder3	(	double	dst[9],
		const double	src[9],
		const double	mat[3][3]
	)

template void molecular::util::SphericalHarmonics::RotateOrder3	(	float	dst[9],
		const float	src[9],
		const float	mat[3][3]
	)

void molecular::util::SphericalHarmonics::RotateOrder3	(	float	dst[9],
		const float	src[9],
		const Matrix3 &	mat
	)

Rotate spherical harmonics coefficients by a rotation matrix.

template<int numBands>

std::vector< Sample< numBands > > molecular::util::SphericalHarmonics::SetupSphericalSamples

(

unsigned int

samplesCount

)

Generate samples that are uniformly distributed on a sphere.

template std::vector< Sample< 3 > > molecular::util::SphericalHarmonics::SetupSphericalSamples< 3 >

(

unsigned int

samplesCount

)

template std::vector< Sample< 4 > > molecular::util::SphericalHarmonics::SetupSphericalSamples< 4 >

(

unsigned int

samplesCount

)

double molecular::util::SphericalHarmonics::ShRenormalisation	(	int	l,
		int	m
	)

double molecular::util::SphericalHarmonics::SphericalHarmonic	(	int	l,
		int	m,
		double	theta,
		double	phi
	)

Vector3d molecular::util::SphericalHarmonics::UnitVectorFromSphericalCoords	(	double	theta,
		double	phi
	)