matrix3x3.h File Reference

Handle 3D Rotation matrix. More...

#include <ostream>
#include <openbabel/math/vector3.h>
#include <openbabel/oberror.h>

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Namespaces
namespace	OpenBabel
Classes
class	matrix3x3
	Represents a real 3x3 matrix. More...
Defines
#define	RAD_TO_DEG   (180.0/M_PI)
#define	DEG_TO_RAD   (M_PI/180.0)
Functions
vector3	center_coords (double *, int)

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Detailed Description

Handle 3D Rotation matrix.

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Define Documentation

#define RAD_TO_DEG   (180.0/M_PI)

Referenced by OBRotamerList::Setup(), OpenBabel::vectorAngle(), OBForceField::VectorAngle(), OBForceField::VectorAngleDerivative(), OBForceField::VectorOOP(), OBForceField::VectorOOPDerivative(), OBForceField::VectorTorsion(), and OBForceField::VectorTorsionDerivative().

#define DEG_TO_RAD   (M_PI/180.0)

Referenced by OBForceField::DistanceGeometry(), matrix3x3::FillOrth(), OBFFConstraints::GetConstraintEnergy(), OBUnitCell::GetFractionalMatrix(), OBBuilder::GetNewBondVector(), OBRotorRules::GetRotorIncrements(), OpenBabel::InternalToCartesian(), OBRotorRules::ParseLine(), OBRotor::RemoveSymTorsionValues(), OBRotorList::RemoveSymVals(), matrix3x3::RotAboutAxisByAngle(), OpenBabel::SetRotorToAngle(), matrix3x3::SetupRotMat(), and OBForceField::VectorTorsionDerivative().