grid.hpp File Reference

#include <cassert>
#include <cstddef>
#include <complex>
#include <algorithm>
#include <memory>
#include <numeric>
#include <type_traits>
#include <vector>
#include "unitcell.hpp"
#include "symmetry.hpp"
#include "stats.hpp"
#include "fail.hpp"

Go to the source code of this file.

Classes
struct	gemmi::GridOp
struct	gemmi::GridMeta
	The base of Grid classes that does not depend on stored data type. More...
struct	gemmi::GridBase< T >
	A common subset of Grid and ReciprocalGrid. More...
struct	gemmi::GridBase< T >::Point
	grid coordinates (modulo size) and a pointer to value More...
struct	gemmi::GridBase< T >::iterator
struct	gemmi::Grid< T >
	Real-space grid. More...

Namespaces
namespace	gemmi

Enumerations
enum class	gemmi::AxisOrder : unsigned char { gemmi::Unknown , gemmi::XYZ , gemmi::ZYX }
	Order of grid axis. More...
enum class	gemmi::GridSizeRounding { gemmi::Nearest , gemmi::Up , gemmi::Down }

Functions
int	gemmi::modulo (int a, int n)
bool	gemmi::has_small_factorization (int n)
int	gemmi::round_with_small_factorization (double exact, GridSizeRounding rounding)
std::array< int, 3 >	gemmi::good_grid_size (const std::array< double, 3 > &limit, GridSizeRounding rounding, const SpaceGroup *sg)
void	gemmi::check_grid_factors (const SpaceGroup *sg, std::array< int, 3 > size)
double	gemmi::cubic_interpolation (double u, double a, double b, double c, double d)
	Catmull–Rom spline interpolation.
double	gemmi::cubic_interpolation_der (double u, double a, double b, double c, double d)
	df/du (from Wolfram Alpha)
template<typename T >
Correlation	gemmi::calculate_correlation (const GridBase< T > &a, const GridBase< T > &b)