core::scoring::electron_density::SplineInterp Namespace Reference

Functions
void	put_line (double *data, int dim, int x1, int x2, double line[], int dims[])
void	get_line (double *data, int dim, int x1, int x2, double line[], int dims[])
static double	InitialCausalCoefficient (double c[], long DataLength, double z, double Tolerance)
static double	InitialAntiCausalCoefficient (double c[], long DataLength, double z, double Tolerance)
void	ConvertToInterpolationCoefficients (double c[], long DataLength, double z[], long NbPoles, double Tolerance)
int	compute_coefficients (double *data, int dims[3], int degree)
int	grad3 (double grad[3], double *Bcoeff, int dims[3], double X[3], int degree)
double	interp3 (double *Bcoeff, int dims[3], double X[3], int degree)

Function Documentation

int core::scoring::electron_density::SplineInterp::compute_coefficients	(	double *	data,
		int	dims[3],
		int	degree
	)

Definition at line 204 of file SplineInterp.cc.

References ConvertToInterpolationCoefficients(), get_line(), protocols::features::L, and put_line().

Referenced by core::scoring::electron_density::spline_coeffs(), and core::scoring::electron_density_atomwise::ElectronDensityAtomwise::spline_coeffs().

void core::scoring::electron_density::SplineInterp::ConvertToInterpolationCoefficients	(	double	c[],
		long	DataLength,
		double	z[],
		long	NbPoles,
		double	Tolerance
	)

Definition at line 161 of file SplineInterp.cc.

References InitialAntiCausalCoefficient(), InitialCausalCoefficient(), and protocols::features::L.

Referenced by compute_coefficients().

void core::scoring::electron_density::SplineInterp::get_line	(	double *	data,
		int	dim,
		int	x1,
		int	x2,
		double	line[],
		int	dims[]
	)

Definition at line 56 of file SplineInterp.cc.

Referenced by compute_coefficients().

int core::scoring::electron_density::SplineInterp::grad3	(	double	grad[3],
		double *	Bcoeff,
		int	dims[3],
		double	X[3],
		int	degree
	)

Definition at line 283 of file SplineInterp.cc.

References protocols::features::L, and core::scoring::hbonds::t().

static double core::scoring::electron_density::SplineInterp::InitialAntiCausalCoefficient ( double  c[], long  DataLength, double  z, double  Tolerance  )

static

Definition at line 119 of file SplineInterp.cc.

References protocols::features::L.

Referenced by ConvertToInterpolationCoefficients().

static double core::scoring::electron_density::SplineInterp::InitialCausalCoefficient ( double  c[], long  DataLength, double  z, double  Tolerance  )

static

Definition at line 78 of file SplineInterp.cc.

References protocols::features::L.

Referenced by ConvertToInterpolationCoefficients().

double core::scoring::electron_density::SplineInterp::interp3	(	double *	Bcoeff,
		int	dims[3],
		double	X[3],
		int	degree
	)

Definition at line 401 of file SplineInterp.cc.

References protocols::features::L, and core::scoring::hbonds::t().

Referenced by core::scoring::MembranePotential::evaluate_cbeta(), core::scoring::electron_density::interp_spline(), and core::scoring::electron_density_atomwise::ElectronDensityAtomwise::spline_interpolation().

void core::scoring::electron_density::SplineInterp::put_line	(	double *	data,
		int	dim,
		int	x1,
		int	x2,
		double	line[],
		int	dims[]
	)

Definition at line 34 of file SplineInterp.cc.

Referenced by compute_coefficients().