ZMatrixUtils.h File Reference

#include <RDGeneral/Invariant.h>
#include <Numerics/SquareMatrix.h>
#include <variant>
#include <unordered_set>
#include <cmath>

Go to the source code of this file.

Classes
struct	DistGeom::overloaded< Ts >
struct	DistGeom::TorsionRange
struct	DistGeom::TorsionValues

Namespaces
namespace	DistGeom

Macros
#define	M_PI   3.14159265358979323846

Typedefs
using	DistGeom::TorsionCandidates = std::variant<TorsionRange, TorsionValues>

Functions
int64_t	DistGeom::quantize (double val, double precision=TORSION_PRECISION)
TorsionCandidates	DistGeom::merge (const TorsionCandidates &lhs, const TorsionCandidates &rhs)
double	DistGeom::sample (const TorsionCandidates &torsionCand, RDKit::double_source_type &rng)
bool	DistGeom::less (const TorsionCandidates &lhs, const TorsionCandidates &rhs)
bool	DistGeom::equal (const TorsionCandidates &lhs, const TorsionCandidates &rhs)
bool	DistGeom::contains (const TorsionCandidates &torsionCand, const double value)

Macro Definition Documentation

M_PI

#define M_PI   3.14159265358979323846

Definition at line 22 of file ZMatrixUtils.h.