Crystallographic symmetry operator. More...

#include <symop.h>

Inheritance diagram for clipper::Symop:

Public Member Functions
	Symop ()
	null constructor

	Symop (const RTop<> &rt)
	constructor: RTop

	Symop (const ftype mat[4][4])
	constructor: from 4x4 matrix

String	format () const
	return formatted String representation

Public Member Functions inherited from clipper::RTop_frac
	RTop_frac ()
	null constructor

	RTop_frac (const RTop<> &o)
	constructor: copy/convert

	RTop_frac (const Mat33<> &r)
	constructor: from rotation

	RTop_frac (const String &strop)
	constructor: from string description

	RTop_frac (const Mat33<> &r, const Vec3<> &t)
	constructor: from rotation and translation

RTop_orth	rtop_orth (const Cell &cell) const
	fractional-orthogonal conversion

RTop_frac	inverse () const
	inverse operator

Public Member Functions inherited from clipper::RTop< T >
	RTop ()
	null constructor

	RTop (const Mat33< T > &r)
	constructor: from rotation

	RTop (const Mat33< T > &r, const Vec3< T > &t)
	constructor: from rotation and translation

RTop< T >	inverse () const
	inverse

bool	equals (const RTop< T > &m, const T &tol) const
	test equality with some tolerance

const Mat33< T > &	rot () const
	get rotation

const Vec3< T > &	trn () const
	get translation

Mat33< T > &	rot ()
	set rotation

Vec3< T > &	trn ()
	set translation

bool	is_null () const
	test for null operator

String	format () const
	return formatted String representation

Additional Inherited Members
Static Public Member Functions inherited from clipper::RTop_frac
static RTop_frac	identity ()
	return identity operator

static RTop_frac	null ()
	return null (uninitialised) operator

Static Public Member Functions inherited from clipper::RTop< T >
static RTop< T >	identity ()
	return identity operator

static RTop< T >	null ()
	return identity operator

Detailed Description

Crystallographic symmetry operator.

This is identical to a fractional RTop, but has its own class since not all fractional RTops are symops. For a full list of methods, see clipper::RTop and clipper::RTop_frac

Constructor & Destructor Documentation

◆ Symop() [1/2]

clipper::Symop::Symop ( const RTop<> & rt )

explicit

constructor: RTop

Construct a symmetry operator and initialise it to the supplied RTop. Translations are rounded to a basis of 48, and put on the range 0..1

Parameters

mat	The RTop to use.

◆ Symop() [2/2]

clipper::Symop::Symop ( const ftype mat[4][4] )

explicit

constructor: from 4x4 matrix

Construct a symmetry operator and initialise it to the supplied matrix. Translations are rounded to a basis of 48, and put on the range 0..1

Parameters

mat	The 4x4 matrix to use. The [i][3] elements contain the translation.

Member Function Documentation

◆ format()

String clipper::Symop::format ( ) const

return formatted String representation

Return formatted representation of the symmetry operator.

Returns: The formatted text string, e.g. -x, -y+1/2, z.

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

symop.h
symop.cpp