ObjCryst::ZPolyhedron Class Reference

ZPolyhedron: a Scatterer to describe polyhedras such as octahedron, tetrahedron, square plane, etc... More...

Inheritance diagram for ObjCryst::ZPolyhedron:

[legend]Collaboration diagram for ObjCryst::ZPolyhedron:

[legend]List of all members.

Public Member Functions
	ZPolyhedron (const RegularPolyhedraType type, Crystal &cryst, const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *centralAtomPow, const ScatteringPower *periphAtomPow, const REAL centralPeriphDist, const REAL ligandPopu=1, const REAL phi=0., const REAL chi=0., const REAL psi=0.)
	ZPolyhedron constructor.
	ZPolyhedron (const ZPolyhedron &)
	Copy Constructor.
virtual ZPolyhedron *	CreateCopy () const
Private Attributes
RegularPolyhedraType	mPolyhedraType

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Detailed Description

ZPolyhedron: a Scatterer to describe polyhedras such as octahedron, tetrahedron, square plane, etc...

These are ZScatterer objects, so that even if they are initialized with constraints, these can be removed to make any configuration. ####################################################################

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Constructor & Destructor Documentation

ObjCryst::ZPolyhedron::ZPolyhedron (  const RegularPolyhedraType  type, Crystal &  cryst, const REAL  x, const REAL  y, const REAL  z, const string &  name, const ScatteringPower *  centralAtomPow, const ScatteringPower *  periphAtomPow, const REAL  centralPeriphDist, const REAL  ligandPopu = 1, const REAL  phi = 0., const REAL  chi = 0., const REAL  psi = 0. )

ZPolyhedron constructor. Parameters: type  : OCTAHEDRON, TETRAHEDRON,... cryst  : a crystal is necessary to transform the orthornormal coordinates (in which the relative atom positions are computed) to fractional ones. x,y,z  : fractional coordinates of the center of the polyhedra name  : name of the Polyhedra ('WO6','TaSe4_a', 'Tetra01'...). The name can have any format but spaces should be avoided, since it will generate problems when reading the names from a file. And there must not be identical name for two scatterers in a given crystal object. periphAtomPow,centralAtomPow:  the ScatteringPower corresponding to the central and peripheral atoms, respectively. centralPeriphDist:  the distance, in angstroems, from the central to the peripheral atoms ligandPopu  : the relative population of ligand atoms, equal to 1/n if ligand atoms are shared by n polyhedra. If you are using the 'Dynamical Polpulation Correction', then keep this parameter to 1. phi,chi,psi:  initial angles for this polyhedron

ObjCryst::ZPolyhedron::ZPolyhedron (  const ZPolyhedron &   )

Copy Constructor.

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Member Function Documentation

virtual ZPolyhedron* ObjCryst::ZPolyhedron::CreateCopy (   )  const [virtual]

For internal use only. so-called Virtual copy constructor, needed to make copies of arrays of Scatterers Reimplemented from ObjCryst::ZScatterer.

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Member Data Documentation

RegularPolyhedraType ObjCryst::ZPolyhedron::mPolyhedraType [private]

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

• ZScatterer.h

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