Chemical Data Processing Library C++ API - Version 1.1.1
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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) |
Definition of utility functions operating on CDPL::Math::VectorArray instances.