Molmodel
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bondGeometry.h File Reference

#include "molmodel/internal/common.h"
#include "SimTKcommon.h"
#include "molmodel/internal/units.h"

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Namespaces

namespace  SimTK

Functions

Angle SimTK_MOLMODEL_EXPORT SimTK::calcDihedralAngle (const Vec3 &atomPos1, const Vec3 &atomPos2, const Vec3 &atomPos3, const Vec3 &atomPos4)
 Dihedral angle in radians in the range (-Pi, Pi].
Angle SimTK_MOLMODEL_EXPORT SimTK::calcDihedralAngle (const UnitVec3 &bond12, const UnitVec3 &bond23, const UnitVec3 &bond34)
 Dihedral angle in radians in the range (-Pi, Pi].
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