gemmi::GaussianCoef< N, WithC, Real > Struct Template Reference

#include <formfact.hpp>

Public Types
using	coef_type = Real

Public Member Functions
Real	a (int n) const
Real	b (int n) const
Real	c () const
void	set_coefs (const std::array< Real, 2 *N+WithC > &c)
Real	calculate_sf (Real stol2) const
Real	calculate_density_iso (Real r2, Real B) const
ExpSum< N+WithC, Real >	precalculate_density_iso (Real B, Real addend=0) const
Real	calculate_density_aniso (const Vec3 &r, const SMat33< float > &U) const
ExpAnisoSum< N+WithC, Real >	precalculate_density_aniso_b (const SMat33< Real > &B, Real addend=0) const
ExpAnisoSum< N+WithC, Real >	precalculate_density_aniso_u (const SMat33< float > &U, Real addend=0) const

Public Attributes
std::array< Real, 2 *N+WithC >	coefs

Static Public Attributes
static const int	ncoeffs = N

Detailed Description

template<int N, int WithC, typename Real>
struct gemmi::GaussianCoef< N, WithC, Real >

Definition at line 125 of file formfact.hpp.

Member Typedef Documentation

coef_type

template<int N, int WithC, typename Real >

using gemmi::GaussianCoef< N, WithC, Real >::coef_type = Real

Definition at line 126 of file formfact.hpp.

Member Function Documentation

a()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::a ( int  n ) const

inline

Definition at line 129 of file formfact.hpp.

b()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::b ( int  n ) const

inline

Definition at line 130 of file formfact.hpp.

c()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::c ( ) const

inline

Definition at line 131 of file formfact.hpp.

set_coefs()

template<int N, int WithC, typename Real >

void gemmi::GaussianCoef< N, WithC, Real >::set_coefs ( const std::array< Real, 2 *N+WithC > &  c )

inline

Definition at line 133 of file formfact.hpp.

calculate_sf()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::calculate_sf ( Real  stol2 ) const

inline

Definition at line 136 of file formfact.hpp.

calculate_density_iso()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::calculate_density_iso ( Real  r2, Real  B  ) const

inline

Definition at line 143 of file formfact.hpp.

precalculate_density_iso()

template<int N, int WithC, typename Real >

ExpSum< N+WithC, Real > gemmi::GaussianCoef< N, WithC, Real >::precalculate_density_iso ( Real  B, Real  addend = 0  ) const

inline

Definition at line 155 of file formfact.hpp.

calculate_density_aniso()

template<int N, int WithC, typename Real >

Real gemmi::GaussianCoef< N, WithC, Real >::calculate_density_aniso ( const Vec3 &  r, const SMat33< float > &  U  ) const

inline

Definition at line 171 of file formfact.hpp.

precalculate_density_aniso_b()

template<int N, int WithC, typename Real >

ExpAnisoSum< N+WithC, Real > gemmi::GaussianCoef< N, WithC, Real >::precalculate_density_aniso_b ( const SMat33< Real > &  B, Real  addend = 0  ) const

inline

Definition at line 184 of file formfact.hpp.

precalculate_density_aniso_u()

template<int N, int WithC, typename Real >

ExpAnisoSum< N+WithC, Real > gemmi::GaussianCoef< N, WithC, Real >::precalculate_density_aniso_u ( const SMat33< float > &  U, Real  addend = 0  ) const

inline

Definition at line 201 of file formfact.hpp.

Member Data Documentation

ncoeffs

template<int N, int WithC, typename Real >

const int gemmi::GaussianCoef< N, WithC, Real >::ncoeffs = N

static

Definition at line 127 of file formfact.hpp.

coefs

template<int N, int WithC, typename Real >

std::array<Real, 2*N+WithC> gemmi::GaussianCoef< N, WithC, Real >::coefs

Definition at line 128 of file formfact.hpp.

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

• include/gemmi/formfact.hpp