xmol::geom namespace

Atomic-agnostic geom procedures.

Contents

Namespaces

namespace affine
namespace literals

Classes

struct AngleValue
struct Degrees
class GeomError
struct Radians
class SpatialIndex
class UnitCell
class XYZ

Functions

auto degrees_to_radians(double degrees) -> double
auto radians_to_degrees(double radians) -> double
auto operator*(double lhs, const AngleValue& rhs) -> AngleValue
auto sin(const AngleValue& angle) -> double
auto cos(const AngleValue& angle) -> double
auto tan(const AngleValue& angle) -> double
auto fabs(const AngleValue& angle) -> AngleValue
auto dihedral_angle(const XYZ& a, const XYZ& b, const XYZ& c, const XYZ& d) -> AngleValue
auto operator""_deg(long double value) -> Degrees
auto operator""_rad(long double value) -> Radians
auto operator-(const XYZ& a, const XYZ& b) -> XYZ
auto operator+(const XYZ& a, const XYZ& b) -> XYZ
auto operator*(const XYZ& a, double t) -> XYZ
auto operator/(const XYZ& a, double t) -> XYZ
auto operator*(double t, const XYZ& a) -> XYZ
auto operator<<(std::ostream& out, const XYZ& r) -> std::ostream&
auto upper_bound(const XYZ& a, const XYZ& b) -> XYZ
auto lower_bound(const XYZ& a, const XYZ& b) -> XYZ

Function documentation

double xmol::geom::degrees_to_radians(double degrees)

double xmol::geom::radians_to_degrees(double radians)

AngleValue xmol::geom::operator*(double lhs, const AngleValue& rhs)

double xmol::geom::sin(const AngleValue& angle)

double xmol::geom::cos(const AngleValue& angle)

double xmol::geom::tan(const AngleValue& angle)

AngleValue xmol::geom::fabs(const AngleValue& angle)

AngleValue xmol::geom::dihedral_angle(const XYZ& a, const XYZ& b, const XYZ& c, const XYZ& d)

Degrees xmol::geom::operator""_deg(long double value)

Radians xmol::geom::operator""_rad(long double value)

XYZ xmol::geom::operator-(const XYZ& a, const XYZ& b)

XYZ xmol::geom::operator+(const XYZ& a, const XYZ& b)

XYZ xmol::geom::operator*(const XYZ& a, double t)

XYZ xmol::geom::operator/(const XYZ& a, double t)

XYZ xmol::geom::operator*(double t, const XYZ& a)

std::ostream& xmol::geom::operator<<(std::ostream& out, const XYZ& r)

XYZ xmol::geom::upper_bound(const XYZ& a, const XYZ& b)

XYZ xmol::geom::lower_bound(const XYZ& a, const XYZ& b)