Gemmi C++ API
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#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 |
Definition at line 124 of file formfact.hpp.
Definition at line 125 of file formfact.hpp.
Definition at line 128 of file formfact.hpp.
Definition at line 129 of file formfact.hpp.
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Definition at line 130 of file formfact.hpp.
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Definition at line 132 of file formfact.hpp.
Definition at line 135 of file formfact.hpp.
Definition at line 142 of file formfact.hpp.
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Definition at line 154 of file formfact.hpp.
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Definition at line 170 of file formfact.hpp.
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Definition at line 183 of file formfact.hpp.
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Definition at line 200 of file formfact.hpp.
Definition at line 126 of file formfact.hpp.
Definition at line 127 of file formfact.hpp.