alignment-impl.h file
Contents
- Reference
Namespaces
- namespace xmol
- Reworked original xmol.
- namespace xmol::algo
Functions
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template<typename MatrixA, typename MatrixB>auto calc_alignment_precentered_impl(const MatrixA& X, const MatrixB& Y) -> geom::affine::Rotation3d
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template<typename MatrixA, typename MatrixB>auto calc_alignment_impl(const MatrixA& X, const MatrixB& Y) -> geom::affine::Transformation3d
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template<typename MatrixA, typename MatrixB, typename MassVector>auto calc_alignment_weighted_impl(const MatrixA& X, const MatrixB& Y, const MassVector& weight) -> geom::affine::Transformation3d
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template<typename MatrixA, typename MatrixB>auto calc_rmsd_impl(const MatrixA& reference, const MatrixB& variable) -> double
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template<typename MatrixA>auto calc_inertia_tensor_impl(const MatrixA& coords) -> Eigen::Matrix3d
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template<typename CoordMatrix, typename MassMatrix>auto calc_inertia_tensor_impl(const CoordMatrix& coords, const MassMatrix& mass) -> Eigen::Matrix3d
Function documentation
template<typename MatrixA, typename MatrixB>
geom::affine::Rotation3d calc_alignment_precentered_impl(const MatrixA& X,
const MatrixB& Y)
| Template parameters | |
|---|---|
| MatrixA | reference coordinates, Eigen [N*3] matrix or equivalent expression |
| MatrixB | coordinates to align, Eigen [N*3] matrix or equivalent expression |
Calculate rotational alignment on precentered coordinate matrices
template<typename MatrixA, typename MatrixB>
geom::affine::Transformation3d calc_alignment_impl(const MatrixA& X,
const MatrixB& Y)
| Template parameters | |
|---|---|
| MatrixA | reference coordinates, Eigen [N*3] matrix or equivalent expression |
| MatrixB | coordinates to align, Eigen [N*3] matrix or equivalent expression |
Calculate alignment of coordinate matrices