clipper::Metric_tensor Class Reference

Metric tensor. More...

#include <cell.h>

List of all members.

Public Member Functions
	Metric_tensor ()
	null constructor
	Metric_tensor (const ftype &a, const ftype &b, const ftype &c, const ftype &alph, const ftype &beta, const ftype &gamm)
	constructor: takes parameters of normal or inverse cell
ftype	lengthsq (const Vec3<> &v) const
	apply metric to vector
ftype	lengthsq (const Vec3< int > &v) const
	apply metric to int vector
String	format () const
	return formatted String representation

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Detailed Description

Metric tensor.

The metric tensor is used to determine a distance in real or reciprocal space using fraction coordinates or Miller indices. It is symmetrical, so only the upper triangle is stored with the off-diagonal elements doubled.

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Constructor & Destructor Documentation

clipper::Metric_tensor::Metric_tensor

(

)

[inline]

null constructor

Null constructor

clipper::Metric_tensor::Metric_tensor	(	const ftype &	a,
		const ftype &	b,
		const ftype &	c,
		const ftype &	alph,
		const ftype &	beta,
		const ftype &	gamm
	)

constructor: takes parameters of normal or inverse cell

Construct and initialise a metric tensor, given a set of real or reciprocal cell parameters.

Parameters:

a	Length of a axis in Angstroms or reciprocal Angstroms.
b	Length of b axis in Angstroms or reciprocal Angstroms.
c	Length of c axis in Angstroms or reciprocal Angstroms.
alph	Angle between b and c in radians.
beta	Angle between a and c in radians.
gamm	Angle between a and b in radians.

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

• cell.h
• cell.cpp