transforms.hpp File Reference

Rigid-body geometric transformations for atoms and molecules. More...

#include <btk/core/algorithms/properties.hpp>
#include <btk/core/math/rotation.hpp>

Go to the source code of this file.

Namespaces
namespace	BTK
namespace	BTK::ALGORITHMS
Functions
template<typename AtomIterator>
void	translate (AtomIterator begin, AtomIterator end, BTK::MATH::BTKVector const &T)
	Translate atoms along vector T.
template<typename AtomIterator>
void	center (AtomIterator begin, AtomIterator end)
	Center a structure.
template<typename AtomIterator1, typename AtomIterator2>
void	align_centers (AtomIterator1 fixed_begin, AtomIterator1 fixed_end, AtomIterator2 mobile_begin, AtomIterator2 mobile_end)
	Align the geometric centers of two molecules.
template<typename AtomIterator>
void	rotate (AtomIterator begin, AtomIterator end, double phi, double theta, double psi, BTK::MATH::BTKVector const &fixed_point)
	Rotate atoms about a fixed point.
template<typename AtomIterator>
void	rotate (AtomIterator begin, AtomIterator end, double phi, double theta, double psi)
	Rotate atoms about their geometric center.
template<typename AtomIterator>
void	rotate (AtomIterator begin, AtomIterator end, BTK::MATH::BTKVector const &axis, double theta, BTK::MATH::BTKVector const &fixed_point)
	Rotate atoms around an axis or vector, with respect to a point.
template<typename AtomIterator>
void	rotate (AtomIterator begin, AtomIterator end, BTK::MATH::BTKVector const &axis, double theta)
	Rotate atoms around an axis or vector, with respect to their geometric center.
template<typename AtomIterator>
void	rotate (AtomIterator begin, AtomIterator end, BTK::MATH::BTKMatrix const &R)
	Rotate atoms using a rotation matrix.
template<typename AtomIterator>
void	transform (AtomIterator begin, AtomIterator end, BTK::MATH::BTKMatrix const &R, BTK::MATH::BTKVector const &T)
	Combined translate/rotate.

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Detailed Description

Rigid-body geometric transformations for atoms and molecules.

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