xmol/algo/alignment.h file

Contents

Namespaces

namespace xmol
Reworked original xmol.
namespace xmol::algo

Functions

auto calc_alignment(proxy::CoordSpan& reference, proxy::CoordSpan& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::CoordSpan& reference, proxy::CoordSelection& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::CoordSelection& reference, proxy::CoordSpan& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::CoordSelection& reference, proxy::CoordSelection& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::AtomSpan& reference, proxy::AtomSpan& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::AtomSpan& reference, proxy::AtomSelection& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::AtomSelection& reference, proxy::AtomSpan& variable) -> geom::affine::Transformation3d
auto calc_alignment(proxy::AtomSelection& reference, proxy::AtomSelection& variable) -> geom::affine::Transformation3d
auto calc_rmsd(proxy::CoordSpan& reference, proxy::CoordSpan& variable) -> double
auto calc_rmsd(proxy::CoordSpan& reference, proxy::CoordSelection& variable) -> double
auto calc_rmsd(proxy::CoordSelection& reference, proxy::CoordSpan& variable) -> double
auto calc_rmsd(proxy::CoordSelection& reference, proxy::CoordSelection& variable) -> double
auto calc_weighted_rmsd(proxy::AtomSpan& reference, proxy::AtomSpan& variable) -> double
auto calc_weighted_rmsd(proxy::AtomSpan& reference, proxy::AtomSelection& variable) -> double
auto calc_weighted_rmsd(proxy::AtomSelection& reference, proxy::AtomSpan& variable) -> double
auto calc_weighted_rmsd(proxy::AtomSelection& reference, proxy::AtomSelection& variable) -> double
auto calc_inertia_tensor(proxy::CoordSelection& reference) -> Eigen::Matrix3d
auto calc_inertia_tensor(proxy::CoordSpan& reference) -> Eigen::Matrix3d
auto calc_inertia_tensor(proxy::CoordSelection& reference, const future::Span<double>& mass) -> Eigen::Matrix3d
auto calc_inertia_tensor(proxy::CoordSpan& reference, const future::Span<double>& mass) -> Eigen::Matrix3d
auto calc_inertia_tensor(proxy::AtomSelection& reference) -> Eigen::Matrix3d
auto calc_inertia_tensor(proxy::AtomSpan& reference) -> Eigen::Matrix3d