Open Babel: matrix3x3.h File Reference

Classes | Namespaces | Defines | Functions

# matrix3x3.h File Reference

Handle 3D Rotation matrix. More...

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

Go to the source code of this file.

## Classes
class | matrix3x3
| Represents a real 3x3 matrix. More...
## Namespaces
namespace | OpenBabel
## Defines
#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.

## Define Documentation

#define RAD_TO_DEG (180.0/M_PI)

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

All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines