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Public Member Functions | List of all members
occ::isosurface::MCDeformationDensityFunctor Class Reference

#include <deformation_density.h>

Public Member Functions

 MCDeformationDensityFunctor (const occ::core::Molecule &mol, const occ::qm::Wavefunction &wfn, float sep, const occ::slater::InterpolatorParams &params={})
 
void remap_vertices (const std::vector< float > &v, std::vector< float > &dest) const
 
void batch (Eigen::Ref< const FMat3N > pos, Eigen::Ref< FVec > layer) const
 
const auto & side_length () const
 
Eigen::Vector3i cubes_per_side () const
 
void set_isovalue (float iso)
 
const auto & origin () const
 
int num_calls () const
 

Constructor & Destructor Documentation

◆ MCDeformationDensityFunctor()

occ::isosurface::MCDeformationDensityFunctor::MCDeformationDensityFunctor ( const occ::core::Molecule &  mol,
const occ::qm::Wavefunction &  wfn,
float  sep,
const occ::slater::InterpolatorParams &  params = {} 
)

Member Function Documentation

◆ batch()

void occ::isosurface::MCDeformationDensityFunctor::batch ( Eigen::Ref< const FMat3N >  pos,
Eigen::Ref< FVec >  layer 
) const
inline

◆ cubes_per_side()

Eigen::Vector3i occ::isosurface::MCDeformationDensityFunctor::cubes_per_side ( ) const
inline

◆ num_calls()

int occ::isosurface::MCDeformationDensityFunctor::num_calls ( ) const
inline

◆ origin()

const auto & occ::isosurface::MCDeformationDensityFunctor::origin ( ) const
inline

◆ remap_vertices()

void occ::isosurface::MCDeformationDensityFunctor::remap_vertices ( const std::vector< float > &  v,
std::vector< float > &  dest 
) const
inline

◆ set_isovalue()

void occ::isosurface::MCDeformationDensityFunctor::set_isovalue ( float  iso)
inline

◆ side_length()

const auto & occ::isosurface::MCDeformationDensityFunctor::side_length ( ) const
inline
The documentation for this class was generated from the following file: