surface_types.h File Reference

#include <string>
#include <vector>

Include dependency graph for surface_types.h:

This graph shows which files directly or indirectly include this file:

Namespaces
namespace	occ
namespace	occ::isosurface

Enumerations
enum class	occ::isosurface::SurfaceKind {   occ::isosurface::PromoleculeDensity , occ::isosurface::Hirshfeld , occ::isosurface::EEQ_ESP , occ::isosurface::ElectronDensity ,   occ::isosurface::ESP , occ::isosurface::SpinDensity , occ::isosurface::DeformationDensity , occ::isosurface::Orbital ,   occ::isosurface::CrystalVoid , occ::isosurface::VolumeGrid , occ::isosurface::SoftVoronoi , occ::isosurface::VDWLogSumExp ,   occ::isosurface::HSRinv , occ::isosurface::HSExp }
enum class	occ::isosurface::PropertyKind {   occ::isosurface::Dnorm , occ::isosurface::Dint_norm , occ::isosurface::Dext_norm , occ::isosurface::Dint ,   occ::isosurface::Dext , occ::isosurface::FragmentPatch , occ::isosurface::ShapeIndex , occ::isosurface::Curvedness ,   occ::isosurface::EEQ_ESP , occ::isosurface::PromoleculeDensity , occ::isosurface::ESP , occ::isosurface::ElectronDensity ,   occ::isosurface::SpinDensity , occ::isosurface::DeformationDensity , occ::isosurface::Orbital , occ::isosurface::GaussianCurvature ,   occ::isosurface::MeanCurvature , occ::isosurface::CurvatureK1 , occ::isosurface::CurvatureK2 }

Functions
constexpr const char *	occ::isosurface::property_to_string (PropertyKind prop)
constexpr const char *	occ::isosurface::surface_to_string (SurfaceKind surface)
constexpr bool	occ::isosurface::surface_requires_wavefunction (SurfaceKind kind)
constexpr bool	occ::isosurface::property_requires_wavefunction (PropertyKind kind)
constexpr bool	occ::isosurface::surface_requires_environment (SurfaceKind kind)
constexpr bool	occ::isosurface::property_requires_environment (PropertyKind kind)
SurfaceKind	occ::isosurface::surface_from_string (const std::string &)
const std::vector< SurfaceKind > &	occ::isosurface::available_surface_types ()
const std::vector< PropertyKind > &	occ::isosurface::default_properties (bool have_environment)
PropertyKind	occ::isosurface::property_from_string (const std::string &)
std::vector< PropertyKind >	occ::isosurface::surface_properties_to_compute (const std::vector< PropertyKind > &additional_properties, bool have_environment)