atom_algorithms.h File Reference

functions on sets of atoms that implement the base Atom interface More...

#include "atom.h"
#include "atom_predicates.h"
#include "linear_algebra.h"
#include <boost/concept_check.hpp>
#include "atom_algorithms.hpp"

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Namespaces
namespace	BTK

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Detailed Description

functions on sets of atoms that implement the base Atom interface

• Example:
  • Calculation of and Alignment by:
    • Center of Mass
    • Principal Axes
    • Least Squares Deviation between two atom sets

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