xmol::TorsionAngle class
#include <xmol/TorsionAngle.h>

Contents

Reference

Public types

using ARef = proxy::AtomRef
using ASRef = proxy::smart::AtomSmartRef
using AffectedAtomsSelector = std::function<proxy::AtomSelection(ARef&, ARef&, ARef&, ARef&)>

Constructors, destructors, conversion operators

TorsionAngle(ARef a, ARef b, ARef c, ARef d)
TorsionAngle(ARef a, ARef b, ARef c, ARef d, AffectedAtomsSelector rotatedAtomsGetter)

Public functions

auto value() const -> geom::AngleValue
void set(const geom::AngleValue& value, geom::AngleValue noop_tolerance = geom::Degrees(0.01))

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