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ObjCryst::Molecule::RotorGroup Struct Reference

Defines a group of atoms which can be rotated around an axis defined by two other atoms. More...

List of all members.

Public Methods
	RotorGroup (const MolAtom &at1, const MolAtom &at2)
	Constructor, with the two atoms around which the rotation shall be made.
Public Attributes
const MolAtom *	mpAtom1
	The first atom defining the rotation axis.
const MolAtom *	mpAtom2
	The second atom defining the rotation axis.
set< unsigned long >	mvRotatedAtomList
	The set of atoms that are to be rotated.

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Detailed Description

Defines a group of atoms which can be rotated around an axis defined by two other atoms.

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Constructor & Destructor Documentation

ObjCryst::Molecule::RotorGroup::RotorGroup (  const MolAtom &    at1, const MolAtom &    at2 )

Constructor, with the two atoms around which the rotation shall be made. The list of atoms to be rotated is initially empty.

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

• Molecule.h

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