ObjCryst::Quaternion Class Reference

A quaternion class, used to represent the orientation of the molecule. More...

List of all members.

Public Member Functions
	Quaternion ()
	Default constructor, yields q=(1,0,0,0)
	Quaternion (const REAL q0, const REAL q1, const REAL q2, const REAL q3, bool unit=true)
	Creates a unit quaternion from its components (normalized automatically)
Quaternion	GetConjugate () const
	Get the conjugate of this quaternion (== the inverse if unit quaternion)
Quaternion	operator* (const Quaternion &q) const
	Quaternion multiplication.
void	operator*= (const Quaternion &q)
void	XMLOutput (ostream &os, int indent=0) const
void	XMLInput (istream &is, const XMLCrystTag &tag)
void	RotateVector (REAL &v1, REAL &v2, REAL &v3) const
	Rotate vector v=(v1,v2,v3). The rotated components are directly written.
void	Normalize () const
	Re-normalize the quaternion to unity.
REAL	GetNorm () const
const REAL &	Q0 () const
const REAL &	Q1 () const
const REAL &	Q2 () const
const REAL &	Q3 () const
REAL &	Q0 ()
REAL &	Q1 ()
REAL &	Q2 ()
REAL &	Q3 ()

Static Public Member Functions
static Quaternion	RotationQuaternion (const REAL ang, const REAL v1, const REAL v2, const REAL v3)
	Create a rotation quaternion around a given vector for a given angle.

Private Attributes
REAL	mQ0
	The components of the quaternion z=(q0,v) with v=(q1,q2,q3)
REAL	mQ1
REAL	mQ2
REAL	mQ3
bool	mIsUniQuaternion

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Detailed Description

A quaternion class, used to represent the orientation of the molecule.

It may or may not be a unit quaternion.

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Member Function Documentation

void ObjCryst::Quaternion::Normalize

(

)

const

Re-normalize the quaternion to unity.

This should not be useful, except on individual component input, or after long calculations. And even if wrong, the rotation is independent of the norm of the quaternion.

This is markerd const because we use only unit quaternions

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Member Data Documentation

REAL ObjCryst::Quaternion::mQ0

mutableprivate

The components of the quaternion z=(q0,v) with v=(q1,q2,q3)

These are mutable so that the quaternion can be normalized in a const method.

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The documentation for this class was generated from the following file:

• Molecule.h