properties.hpp File Reference

Methods that compute interesting properties of molecules. More...

#include <iterator>
#include <btk/core/math/btk_vector.hpp>
#include <btk/core/math/btk_matrix.hpp>
#include <btk/core/math/linear_algebra.hpp>

Go to the source code of this file.

Namespaces
namespace	BTK
namespace	BTK::ALGORITHMS
Functions
Molecular geometric properties
Methods for computing geometric properties of atomic structures. These are iterator-based methods for computing geometric properties of atomic structures, such as principal axes and geometric centers. They will work with any iterator that is a model of the AtomIterator concept.
template<typename AtomIterator>
BTK::MATH::BTKVector	geometric_center (AtomIterator begin, AtomIterator end)
	Compute the geometric center of a range of atoms.

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Detailed Description

Methods that compute interesting properties of molecules.

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