#include <gemmi/rhogrid.hpp>
template<typename Table, typename Real>
gemmi::DensityCalculator struct

Contents

Public functions

void add_atom_density_to_grid(const Atom& atom)
void add_model_density_to_grid(const Model& model)
void put_model_density_on_grid(const Model& model)
void set_grid_cell_and_spacegroup(const Structure& st)
auto reciprocal_space_multiplier(double inv_d2) -> double

Public variables

Grid<Real> grid
double d_min
double rate
double blur
float r_cut
std::vector<float> fprimes