matrix3x3.h File Reference

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

Go to the source code of this file.

Classes
class	matrix3x3

Namespaces
	OpenBabel

Macros
#define	RAD_TO_DEG   (180.0/M_PI)
#define	DEG_TO_RAD   (M_PI/180.0)

Functions
vector3	center_coords (double *, int)

Detailed Description

Handle 3D Rotation matrix.

Macro Definition Documentation

RAD_TO_DEG

#define RAD_TO_DEG   (180.0/M_PI)

Referenced by OpenBabel::CalcTorsionAngle(), OBBuilder::Connect(), OBBuilder::GetNewBondVector(), OBMol::SetTorsion(), OBRotamerList::Setup(), OpenBabel::vectorAngle(), OBForceField::VectorAngle(), OBForceField::VectorAngleDerivative(), OBForceField::VectorOOP(), OBForceField::VectorOOPDerivative(), OBForceField::VectorTorsion(), and OBForceField::VectorTorsionDerivative().

DEG_TO_RAD

#define DEG_TO_RAD   (M_PI/180.0)

Referenced by OBBuilder::Connect(), OBBuilder::CorrectStereoBonds(), OBForceField::DistanceGeometry(), matrix3x3::FillOrth(), OBFFConstraints::GetConstraintEnergy(), OBBuilder::GetNewBondVector(), OBRotorRules::GetRotorIncrements(), OpenBabel::InternalToCartesian(), OBRotorRules::ParseLine(), matrix3x3::RotAboutAxisByAngle(), OpenBabel::SetRotorToAngle(), matrix3x3::SetupRotMat(), and OBForceField::VectorTorsionDerivative().