VectorArrayFunctions.hpp File Reference

Definition of utility functions operating on CDPL::Math::VectorArray instances. More...

#include <cstddef>
#include <cmath>
#include "CDPL/Math/VectorArray.hpp"
#include "CDPL/Math/Matrix.hpp"

Go to the source code of this file.

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Math
	Contains classes and functions related to mathematics.

Functions
template<typename T , std::size_t Dim, typename T1 >
void	CDPL::Math::transform (VectorArray< CVector< T, Dim > > &va, const CMatrix< T1, Dim, Dim > &xform)
	Transforms each \( N \)-dimensional vector in the array with the \( N \)-dimensional square matrix xform. More...
template<typename T , std::size_t Dim, typename T1 >
void	CDPL::Math::transform (VectorArray< CVector< T, Dim > > &va, const CMatrix< T1, Dim+1, Dim+1 > &xform)
	Transforms each \( N \)-dimensional vector in the array with the \( N+1 \)-dimensional square matrix xform. More...
template<typename T , std::size_t Dim, typename T1 >
bool	CDPL::Math::calcCentroid (const VectorArray< CVector< T, Dim > > &va, CVector< T1, Dim > &ctr)
	Calculates the centroid of the array elements. More...
template<typename T , std::size_t Dim>
T	CDPL::Math::calcRMSD (const VectorArray< CVector< T, Dim > > &va1, const VectorArray< CVector< T, Dim > > &va2)
template<typename T , std::size_t Dim, typename T1 >
T	CDPL::Math::calcRMSD (const VectorArray< CVector< T, Dim > > &va1, const VectorArray< CVector< T, Dim > > &va2, const CMatrix< T1, Dim+1, Dim+1 > &va1_xform)

Detailed Description

Definition of utility functions operating on CDPL::Math::VectorArray instances.