Index

L

libmolgrid::AtomIndexTypeMapper (C++ class) libmolgrid::AtomIndexTypeMapper::AtomIndexTypeMapper (C++ function) libmolgrid::AtomIndexTypeMapper::get_new_type (C++ function) libmolgrid::AtomIndexTypeMapper::get_type_names (C++ function) libmolgrid::AtomIndexTypeMapper::num_types (C++ function) libmolgrid::AtomIndexTypeMapper::~AtomIndexTypeMapper (C++ function) libmolgrid::AtomIndexTyper (C++ class) libmolgrid::AtomIndexTyper::AtomIndexTyper (C++ function) libmolgrid::AtomIndexTyper::get_atom_type_index (C++ function) libmolgrid::AtomIndexTyper::get_atom_type_vector (C++ function) libmolgrid::AtomIndexTyper::get_int_type (C++ function) libmolgrid::AtomIndexTyper::get_type_names (C++ function) libmolgrid::AtomIndexTyper::get_type_radii (C++ function) libmolgrid::AtomIndexTyper::is_vector_typer (C++ function) libmolgrid::AtomIndexTyper::num_types (C++ function) libmolgrid::AtomIndexTyper::set_names (C++ function) libmolgrid::AtomIndexTyper::~AtomIndexTyper (C++ function) libmolgrid::AtomTyper (C++ class) libmolgrid::AtomTyper::AtomTyper (C++ function) libmolgrid::AtomTyper::get_atom_type_index (C++ function) libmolgrid::AtomTyper::get_atom_type_vector (C++ function) libmolgrid::AtomTyper::get_int_type (C++ function) libmolgrid::AtomTyper::get_type_names (C++ function) libmolgrid::AtomTyper::is_vector_typer (C++ function) libmolgrid::AtomTyper::num_types (C++ function) libmolgrid::AtomTyper::~AtomTyper (C++ function) libmolgrid::AtomVectorTyper (C++ class) libmolgrid::AtomVectorTyper::AtomVectorTyper (C++ function) libmolgrid::AtomVectorTyper::get_atom_type_index (C++ function) libmolgrid::AtomVectorTyper::get_atom_type_vector (C++ function) libmolgrid::AtomVectorTyper::get_int_type (C++ function) libmolgrid::AtomVectorTyper::get_type_names (C++ function) libmolgrid::AtomVectorTyper::get_vector_type_radii (C++ function) libmolgrid::AtomVectorTyper::is_vector_typer (C++ function) libmolgrid::AtomVectorTyper::num_types (C++ function) libmolgrid::AtomVectorTyper::~AtomVectorTyper (C++ function) libmolgrid::BalancedExampleRefProvider (C++ class) libmolgrid::BalancedExampleRefProvider::actives (C++ member) libmolgrid::BalancedExampleRefProvider::addref (C++ function) libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider (C++ function), [1] libmolgrid::BalancedExampleRefProvider::check_batch_size (C++ function) libmolgrid::BalancedExampleRefProvider::current (C++ member) libmolgrid::BalancedExampleRefProvider::decoys (C++ member) libmolgrid::BalancedExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::BalancedExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::BalancedExampleRefProvider::has_group (C++ function) libmolgrid::BalancedExampleRefProvider::labelpos (C++ member) libmolgrid::BalancedExampleRefProvider::large_epoch_size (C++ function) libmolgrid::BalancedExampleRefProvider::next_active (C++ function) libmolgrid::BalancedExampleRefProvider::next_decoy (C++ function) libmolgrid::BalancedExampleRefProvider::nextref (C++ function) libmolgrid::BalancedExampleRefProvider::num_actives (C++ function) libmolgrid::BalancedExampleRefProvider::num_decoys (C++ function) libmolgrid::BalancedExampleRefProvider::num_labels (C++ function) libmolgrid::BalancedExampleRefProvider::populate (C++ function) libmolgrid::BalancedExampleRefProvider::reset (C++ function) libmolgrid::BalancedExampleRefProvider::setup (C++ function) libmolgrid::BalancedExampleRefProvider::size (C++ function) libmolgrid::BalancedExampleRefProvider::small_epoch_size (C++ function) libmolgrid::CallbackIndexTyper (C++ class) libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc (C++ type) libmolgrid::CallbackIndexTyper::callback (C++ member) libmolgrid::CallbackIndexTyper::CallbackIndexTyper (C++ function) libmolgrid::CallbackIndexTyper::default_radius (C++ member) libmolgrid::CallbackIndexTyper::get_atom_type_index (C++ function) libmolgrid::CallbackIndexTyper::get_atom_type_vector (C++ function) libmolgrid::CallbackIndexTyper::get_int_type (C++ function) libmolgrid::CallbackIndexTyper::get_type_names (C++ function) libmolgrid::CallbackIndexTyper::get_type_radii (C++ function) libmolgrid::CallbackIndexTyper::is_vector_typer (C++ function) libmolgrid::CallbackIndexTyper::num_types (C++ function) libmolgrid::CallbackIndexTyper::set_names (C++ function) libmolgrid::CallbackIndexTyper::type_names (C++ member) libmolgrid::CallbackVectorTyper (C++ class) libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc (C++ type) libmolgrid::CallbackVectorTyper::callback (C++ member) libmolgrid::CallbackVectorTyper::CallbackVectorTyper (C++ function) libmolgrid::CallbackVectorTyper::get_atom_type_index (C++ function) libmolgrid::CallbackVectorTyper::get_atom_type_vector (C++ function) libmolgrid::CallbackVectorTyper::get_int_type (C++ function) libmolgrid::CallbackVectorTyper::get_type_names (C++ function) libmolgrid::CallbackVectorTyper::get_vector_type_radii (C++ function) libmolgrid::CallbackVectorTyper::is_vector_typer (C++ function) libmolgrid::CallbackVectorTyper::num_types (C++ function) libmolgrid::CallbackVectorTyper::type_names (C++ member) libmolgrid::CartesianGrid (C++ class) libmolgrid::CartesianGrid::cart2grid (C++ function) libmolgrid::CartesianGrid::CartesianGrid (C++ function) libmolgrid::CartesianGrid::center (C++ function) libmolgrid::CartesianGrid::center_ (C++ member) libmolgrid::CartesianGrid::dimensions (C++ member) libmolgrid::CartesianGrid::grid (C++ function), [1] libmolgrid::CartesianGrid::grid2cart (C++ function) libmolgrid::CartesianGrid::grid_ (C++ member) libmolgrid::CartesianGrid::interpolate (C++ function) libmolgrid::CartesianGrid::origin_ (C++ member) libmolgrid::CartesianGrid::resolution (C++ function) libmolgrid::CartesianGrid::resolution_ (C++ member) libmolgrid::CartesianGrid::~CartesianGrid (C++ function) libmolgrid::CoordCache (C++ class) libmolgrid::CoordCache::addh (C++ member) libmolgrid::CoordCache::cache_map (C++ member) libmolgrid::CoordCache::CoordCache (C++ function), [1] libmolgrid::CoordCache::data_root (C++ member) libmolgrid::CoordCache::get_type_names (C++ function) libmolgrid::CoordCache::make_vector_types (C++ member) libmolgrid::CoordCache::memcache (C++ member) libmolgrid::CoordCache::MemCache (C++ type) libmolgrid::CoordCache::molcache (C++ member) libmolgrid::CoordCache::num_types (C++ function) libmolgrid::CoordCache::offsets (C++ member) libmolgrid::CoordCache::set_coords (C++ function) libmolgrid::CoordCache::typer (C++ member) libmolgrid::CoordCache::use_cache (C++ member) libmolgrid::CoordCache::~CoordCache (C++ function) libmolgrid::CoordinateSet (C++ struct) libmolgrid::CoordinateSet::center (C++ function) libmolgrid::CoordinateSet::clone (C++ function) libmolgrid::CoordinateSet::CoordinateSet (C++ function), [1], [2], [3], [4], [5], [6], [7], [8], [9], [10] libmolgrid::CoordinateSet::coords (C++ member) libmolgrid::CoordinateSet::copyInto (C++ function) libmolgrid::CoordinateSet::copyTo (C++ function), [1] libmolgrid::CoordinateSet::dump (C++ function) libmolgrid::CoordinateSet::has_indexed_types (C++ function) libmolgrid::CoordinateSet::has_vector_types (C++ function) libmolgrid::CoordinateSet::make_vector_types (C++ function) libmolgrid::CoordinateSet::max_type (C++ member) libmolgrid::CoordinateSet::mergeInto (C++ function) libmolgrid::CoordinateSet::num_types (C++ function) libmolgrid::CoordinateSet::operator== (C++ function) libmolgrid::CoordinateSet::radii (C++ member) libmolgrid::CoordinateSet::set_num_types (C++ function) libmolgrid::CoordinateSet::size (C++ function) libmolgrid::CoordinateSet::size_like (C++ function) libmolgrid::CoordinateSet::src (C++ member) libmolgrid::CoordinateSet::sum_types (C++ function), [1] libmolgrid::CoordinateSet::tocpu (C++ function) libmolgrid::CoordinateSet::togpu (C++ function) libmolgrid::CoordinateSet::type_index (C++ member) libmolgrid::CoordinateSet::type_vector (C++ member) libmolgrid::ElementIndexTyper (C++ class) libmolgrid::ElementIndexTyper::default_radius (C++ member) libmolgrid::ElementIndexTyper::ElementIndexTyper (C++ function) libmolgrid::ElementIndexTyper::get_atom_type_index (C++ function) libmolgrid::ElementIndexTyper::get_atom_type_vector (C++ function) libmolgrid::ElementIndexTyper::get_int_type (C++ function) libmolgrid::ElementIndexTyper::get_type_names (C++ function) libmolgrid::ElementIndexTyper::get_type_radii (C++ function) libmolgrid::ElementIndexTyper::is_vector_typer (C++ function) libmolgrid::ElementIndexTyper::last_elem (C++ member) libmolgrid::ElementIndexTyper::num_types (C++ function) libmolgrid::ElementIndexTyper::set_names (C++ function) libmolgrid::ElementIndexTyper::~ElementIndexTyper (C++ function) libmolgrid::Example (C++ struct) libmolgrid::Example::extract_label (C++ function) libmolgrid::Example::extract_labels (C++ function) libmolgrid::Example::group (C++ member) libmolgrid::Example::has_index_types (C++ function) libmolgrid::Example::has_vector_types (C++ function) libmolgrid::Example::labels (C++ member) libmolgrid::Example::make_vector_types (C++ function) libmolgrid::Example::merge_coordinates (C++ function), [1], [2], [3], [4] libmolgrid::Example::num_coordinates (C++ function) libmolgrid::Example::num_types (C++ function) libmolgrid::Example::operator== (C++ function) libmolgrid::Example::seqcont (C++ member) libmolgrid::Example::sets (C++ member) libmolgrid::Example::sum_types (C++ function) libmolgrid::Example::tocpu (C++ function) libmolgrid::Example::togpu (C++ function) libmolgrid::ExampleExtractor (C++ class) libmolgrid::ExampleExtractor::coord_caches (C++ member) libmolgrid::ExampleExtractor::count_types (C++ function) libmolgrid::ExampleExtractor::duplicate_poses (C++ member) libmolgrid::ExampleExtractor::ExampleExtractor (C++ function), [1], [2] libmolgrid::ExampleExtractor::extract (C++ function) libmolgrid::ExampleExtractor::get_type_names (C++ function) libmolgrid::ExampleExtractor::num_types (C++ function), [1] libmolgrid::ExampleExtractor::~ExampleExtractor (C++ function) libmolgrid::ExampleProvider (C++ class) libmolgrid::ExampleProvider::at_new_epoch (C++ function) libmolgrid::ExampleProvider::createProvider (C++ function) libmolgrid::ExampleProvider::ExampleProvider (C++ function), [1], [2], [3], [4] libmolgrid::ExampleProvider::extractor (C++ member) libmolgrid::ExampleProvider::get_extractor (C++ function) libmolgrid::ExampleProvider::get_large_epoch_num (C++ function) libmolgrid::ExampleProvider::get_provider (C++ function) libmolgrid::ExampleProvider::get_small_epoch_num (C++ function) libmolgrid::ExampleProvider::get_type_names (C++ function) libmolgrid::ExampleProvider::init_settings (C++ member) libmolgrid::ExampleProvider::large_epoch_size (C++ function) libmolgrid::ExampleProvider::last_epoch (C++ member) libmolgrid::ExampleProvider::next (C++ function), [1] libmolgrid::ExampleProvider::next_batch (C++ function), [1] libmolgrid::ExampleProvider::num_labels (C++ function) libmolgrid::ExampleProvider::num_types (C++ function) libmolgrid::ExampleProvider::populate (C++ function), [1] libmolgrid::ExampleProvider::provider (C++ member) libmolgrid::ExampleProvider::reset (C++ function) libmolgrid::ExampleProvider::settings (C++ function) libmolgrid::ExampleProvider::size (C++ function) libmolgrid::ExampleProvider::skip (C++ function) libmolgrid::ExampleProvider::small_epoch_size (C++ function) libmolgrid::ExampleProvider::~ExampleProvider (C++ function) libmolgrid::ExampleProviderSettings (C++ struct) libmolgrid::ExampleRef (C++ struct) libmolgrid::ExampleRef::ExampleRef (C++ function), [1] libmolgrid::ExampleRef::files (C++ member) libmolgrid::ExampleRef::group (C++ member) libmolgrid::ExampleRef::labels (C++ member) libmolgrid::ExampleRef::seqcont (C++ member) libmolgrid::ExampleRefProvider (C++ class) libmolgrid::ExampleRefProvider::addref (C++ function) libmolgrid::ExampleRefProvider::check_batch_size (C++ function) libmolgrid::ExampleRefProvider::ExampleRefProvider (C++ function), [1] libmolgrid::ExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::ExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::ExampleRefProvider::has_group (C++ function) libmolgrid::ExampleRefProvider::large_epoch_size (C++ function) libmolgrid::ExampleRefProvider::nextref (C++ function) libmolgrid::ExampleRefProvider::num_labels (C++ function) libmolgrid::ExampleRefProvider::populate (C++ function) libmolgrid::ExampleRefProvider::reset (C++ function) libmolgrid::ExampleRefProvider::setup (C++ function) libmolgrid::ExampleRefProvider::size (C++ function) libmolgrid::ExampleRefProvider::small_epoch_size (C++ function) libmolgrid::ExampleRefProvider::~ExampleRefProvider (C++ function) libmolgrid::FileAtomMapper (C++ class) libmolgrid::FileAtomMapper::FileAtomMapper (C++ function), [1] libmolgrid::FileAtomMapper::get_new_type (C++ function) libmolgrid::FileAtomMapper::get_type_names (C++ function) libmolgrid::FileAtomMapper::new_type_names (C++ member) libmolgrid::FileAtomMapper::num_types (C++ function) libmolgrid::FileAtomMapper::old_type_names (C++ member) libmolgrid::FileAtomMapper::old_type_to_new_type (C++ member) libmolgrid::FileAtomMapper::setup (C++ function) libmolgrid::FileAtomMapper::~FileAtomMapper (C++ function) libmolgrid::FileMappedElementTyper (C++ class) libmolgrid::FileMappedElementTyper::FileMappedElementTyper (C++ function), [1], [2], [3] libmolgrid::FileMappedElementTyper::get_atom_type_index (C++ function) libmolgrid::FileMappedElementTyper::get_atom_type_vector (C++ function) libmolgrid::FileMappedElementTyper::get_int_type (C++ function) libmolgrid::FileMappedElementTyper::get_type_names (C++ function), [1] libmolgrid::FileMappedElementTyper::get_type_radii (C++ function), [1] libmolgrid::FileMappedElementTyper::is_vector_typer (C++ function) libmolgrid::FileMappedElementTyper::num_types (C++ function), [1] libmolgrid::FileMappedElementTyper::set_names (C++ function) libmolgrid::FileMappedGninaTyper (C++ class) libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper (C++ function), [1], [2], [3] libmolgrid::FileMappedGninaTyper::get_atom_type_index (C++ function) libmolgrid::FileMappedGninaTyper::get_atom_type_vector (C++ function) libmolgrid::FileMappedGninaTyper::get_int_type (C++ function) libmolgrid::FileMappedGninaTyper::get_type_names (C++ function), [1] libmolgrid::FileMappedGninaTyper::get_type_radii (C++ function), [1] libmolgrid::FileMappedGninaTyper::is_vector_typer (C++ function) libmolgrid::FileMappedGninaTyper::num_types (C++ function), [1] libmolgrid::FileMappedGninaTyper::set_names (C++ function) libmolgrid::GninaIndexTyper (C++ class) libmolgrid::GninaIndexTyper::data (C++ member) libmolgrid::GninaIndexTyper::default_data (C++ member) libmolgrid::GninaIndexTyper::get_atom_type_index (C++ function) libmolgrid::GninaIndexTyper::get_atom_type_vector (C++ function) libmolgrid::GninaIndexTyper::get_info (C++ function) libmolgrid::GninaIndexTyper::get_int_type (C++ function) libmolgrid::GninaIndexTyper::get_type_names (C++ function) libmolgrid::GninaIndexTyper::get_type_radii (C++ function) libmolgrid::GninaIndexTyper::gnina_type_name (C++ function) libmolgrid::GninaIndexTyper::GninaIndexTyper (C++ function) libmolgrid::GninaIndexTyper::info (C++ struct), [1] libmolgrid::GninaIndexTyper::info::ad_depth (C++ member), [1] libmolgrid::GninaIndexTyper::info::ad_heteroatom (C++ member), [1] libmolgrid::GninaIndexTyper::info::ad_radius (C++ member), [1] libmolgrid::GninaIndexTyper::info::ad_solvation (C++ member), [1] libmolgrid::GninaIndexTyper::info::ad_volume (C++ member), [1] libmolgrid::GninaIndexTyper::info::adname (C++ member), [1] libmolgrid::GninaIndexTyper::info::anum (C++ member), [1] libmolgrid::GninaIndexTyper::info::covalent_radius (C++ member), [1] libmolgrid::GninaIndexTyper::info::sm (C++ member), [1] libmolgrid::GninaIndexTyper::info::smina_name (C++ member), [1] libmolgrid::GninaIndexTyper::info::xs_acceptor (C++ member), [1] libmolgrid::GninaIndexTyper::info::xs_donor (C++ member), [1] libmolgrid::GninaIndexTyper::info::xs_hydrophobe (C++ member), [1] libmolgrid::GninaIndexTyper::info::xs_radius (C++ member), [1] libmolgrid::GninaIndexTyper::is_vector_typer (C++ function) libmolgrid::GninaIndexTyper::num_types (C++ function) libmolgrid::GninaIndexTyper::set_names (C++ function) libmolgrid::GninaIndexTyper::type (C++ enum) libmolgrid::GninaIndexTyper::type::AliphaticCarbonXSHydrophobe (C++ enumerator) libmolgrid::GninaIndexTyper::type::AliphaticCarbonXSNonHydrophobe (C++ enumerator) libmolgrid::GninaIndexTyper::type::AromaticCarbonXSHydrophobe (C++ enumerator) libmolgrid::GninaIndexTyper::type::AromaticCarbonXSNonHydrophobe (C++ enumerator) libmolgrid::GninaIndexTyper::type::Boron (C++ enumerator) libmolgrid::GninaIndexTyper::type::Bromine (C++ enumerator) libmolgrid::GninaIndexTyper::type::Calcium (C++ enumerator) libmolgrid::GninaIndexTyper::type::Chlorine (C++ enumerator) libmolgrid::GninaIndexTyper::type::Fluorine (C++ enumerator) libmolgrid::GninaIndexTyper::type::GenericMetal (C++ enumerator) libmolgrid::GninaIndexTyper::type::Hydrogen (C++ enumerator) libmolgrid::GninaIndexTyper::type::Iodine (C++ enumerator) libmolgrid::GninaIndexTyper::type::Iron (C++ enumerator) libmolgrid::GninaIndexTyper::type::Magnesium (C++ enumerator) libmolgrid::GninaIndexTyper::type::Manganese (C++ enumerator) libmolgrid::GninaIndexTyper::type::Nitrogen (C++ enumerator) libmolgrid::GninaIndexTyper::type::NitrogenXSAcceptor (C++ enumerator) libmolgrid::GninaIndexTyper::type::NitrogenXSDonor (C++ enumerator) libmolgrid::GninaIndexTyper::type::NitrogenXSDonorAcceptor (C++ enumerator) libmolgrid::GninaIndexTyper::type::NumTypes (C++ enumerator) libmolgrid::GninaIndexTyper::type::Oxygen (C++ enumerator) libmolgrid::GninaIndexTyper::type::OxygenXSAcceptor (C++ enumerator) libmolgrid::GninaIndexTyper::type::OxygenXSDonor (C++ enumerator) libmolgrid::GninaIndexTyper::type::OxygenXSDonorAcceptor (C++ enumerator) libmolgrid::GninaIndexTyper::type::Phosphorus (C++ enumerator) libmolgrid::GninaIndexTyper::type::PolarHydrogen (C++ enumerator) libmolgrid::GninaIndexTyper::type::Sulfur (C++ enumerator) libmolgrid::GninaIndexTyper::type::SulfurAcceptor (C++ enumerator) libmolgrid::GninaIndexTyper::type::Zinc (C++ enumerator) libmolgrid::GninaIndexTyper::use_covalent (C++ member) libmolgrid::GninaIndexTyper::~GninaIndexTyper (C++ function) libmolgrid::GninaVectorTyper (C++ class) libmolgrid::GninaVectorTyper::get_atom_type_index (C++ function) libmolgrid::GninaVectorTyper::get_atom_type_vector (C++ function)

libmolgrid::GninaVectorTyper::get_int_type (C++ function) libmolgrid::GninaVectorTyper::get_type_names (C++ function) libmolgrid::GninaVectorTyper::get_vector_type_radii (C++ function) libmolgrid::GninaVectorTyper::GninaVectorTyper (C++ function) libmolgrid::GninaVectorTyper::is_vector_typer (C++ function) libmolgrid::GninaVectorTyper::ityper (C++ member) libmolgrid::GninaVectorTyper::num_types (C++ function) libmolgrid::GninaVectorTyper::vtype (C++ enum) libmolgrid::GninaVectorTyper::vtype::AD_depth (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::AD_heteroatom (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::AD_solvation (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::AD_volume (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Aromatic (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Boron (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Bromine (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Calcium (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Carbon (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Chlorine (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Fluorine (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::GenericAtom (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Hydrogen (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Iodine (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Iron (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Magnesium (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Manganese (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Nitrogen (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::NumTypes (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::OB_partialcharge (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Oxygen (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Phosphorus (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Sulfur (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::XS_acceptor (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::XS_donor (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::XS_hydrophobe (C++ enumerator) libmolgrid::GninaVectorTyper::vtype::Zinc (C++ enumerator) libmolgrid::GninaVectorTyper::vtype_names (C++ member) libmolgrid::GninaVectorTyper::~GninaVectorTyper (C++ function) libmolgrid::Grid (C++ class) libmolgrid::Grid::address (C++ function), [1] libmolgrid::Grid::copyFrom (C++ function) libmolgrid::Grid::copyTo (C++ function) libmolgrid::Grid::cpu_grid_t (C++ type) libmolgrid::Grid::data (C++ function) libmolgrid::Grid::dimension (C++ function) libmolgrid::Grid::dimensions (C++ function) libmolgrid::Grid::fill_zero (C++ function) libmolgrid::Grid::GPU (C++ member) libmolgrid::Grid::gpu_grid_t (C++ type) libmolgrid::Grid::Grid (C++ function), [1], [2], [3], [4] libmolgrid::Grid::managed_t (C++ type) libmolgrid::Grid::N (C++ member) libmolgrid::Grid::offset (C++ function) libmolgrid::Grid::offsets (C++ function) libmolgrid::Grid::operator() (C++ function), [1] libmolgrid::Grid::operator[] (C++ function) libmolgrid::Grid::set_buffer (C++ function) libmolgrid::Grid::size (C++ function) libmolgrid::Grid::subgrid_t (C++ type) libmolgrid::Grid::type (C++ type) libmolgrid::Grid::~Grid (C++ function) libmolgrid::GridMaker (C++ class) libmolgrid::GridMaker::accumulate_atom_gradient (C++ function) libmolgrid::GridMaker::atom_density_grad_grad (C++ function) libmolgrid::GridMaker::atom_density_grad_grad_other (C++ function) libmolgrid::GridMaker::backward (C++ function), [1], [2], [3], [4], [5], [6], [7] libmolgrid::GridMaker::backward_gradients (C++ function), [1], [2], [3] libmolgrid::GridMaker::backward_relevance (C++ function), [1], [2], [3] libmolgrid::GridMaker::calc_atom_gradient_cpu (C++ function) libmolgrid::GridMaker::calc_atom_relevance_cpu (C++ function) libmolgrid::GridMaker::calc_point (C++ function) libmolgrid::GridMaker::calc_type_gradient_cpu (C++ function) libmolgrid::GridMaker::density_grad_dist (C++ function) libmolgrid::GridMaker::forward (C++ function), [1], [2], [3], [4], [5], [6], [7], [8], [9] libmolgrid::GridMaker::get_binary (C++ function) libmolgrid::GridMaker::get_bounds_1d (C++ function) libmolgrid::GridMaker::get_dimension (C++ function) libmolgrid::GridMaker::get_first_dim (C++ function) libmolgrid::GridMaker::get_grid_dims (C++ function) libmolgrid::GridMaker::get_grid_origin (C++ function) libmolgrid::GridMaker::get_radii_type_indexed (C++ function) libmolgrid::GridMaker::get_radiusmultiple (C++ function) libmolgrid::GridMaker::get_resolution (C++ function) libmolgrid::GridMaker::GridMaker (C++ function) libmolgrid::GridMaker::initialize (C++ function) libmolgrid::GridMaker::set_binary (C++ function) libmolgrid::GridMaker::set_dimension (C++ function) libmolgrid::GridMaker::set_radii_type_indexed (C++ function) libmolgrid::GridMaker::set_resolution (C++ function) libmolgrid::GridMaker::type_grad_grad (C++ function) libmolgrid::GridMaker::~GridMaker (C++ function) libmolgrid::GroupedExampleRefProvider (C++ class) libmolgrid::GroupedExampleRefProvider::addref (C++ function) libmolgrid::GroupedExampleRefProvider::batch_size (C++ member) libmolgrid::GroupedExampleRefProvider::check_batch_size (C++ function) libmolgrid::GroupedExampleRefProvider::current_group_index (C++ member) libmolgrid::GroupedExampleRefProvider::current_groups (C++ member) libmolgrid::GroupedExampleRefProvider::current_ts (C++ member) libmolgrid::GroupedExampleRefProvider::examples (C++ member) libmolgrid::GroupedExampleRefProvider::frame_groups (C++ member) libmolgrid::GroupedExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::GroupedExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider (C++ function), [1] libmolgrid::GroupedExampleRefProvider::has_group (C++ function) libmolgrid::GroupedExampleRefProvider::large_epoch_size (C++ function) libmolgrid::GroupedExampleRefProvider::maxgroupsize (C++ member) libmolgrid::GroupedExampleRefProvider::nextref (C++ function) libmolgrid::GroupedExampleRefProvider::num_labels (C++ function) libmolgrid::GroupedExampleRefProvider::populate (C++ function) libmolgrid::GroupedExampleRefProvider::reset (C++ function) libmolgrid::GroupedExampleRefProvider::setup (C++ function) libmolgrid::GroupedExampleRefProvider::size (C++ function) libmolgrid::GroupedExampleRefProvider::small_epoch_size (C++ function) libmolgrid::ManagedGrid (C++ class) libmolgrid::ManagedGrid::base_t (C++ type) libmolgrid::ManagedGrid::clone (C++ function) libmolgrid::ManagedGrid::ManagedGrid (C++ function), [1] libmolgrid::ManagedGrid::operator[] (C++ function) libmolgrid::ManagedGrid::subgrid_t (C++ type) libmolgrid::ManagedGridBase (C++ class) libmolgrid::ManagedGridBase::copyFrom (C++ function), [1], [2] libmolgrid::ManagedGridBase::copyInto (C++ function) libmolgrid::ManagedGridBase::copyTo (C++ function), [1], [2] libmolgrid::ManagedGridBase::cpu (C++ function), [1] libmolgrid::ManagedGridBase::cpu_grid_t (C++ type) libmolgrid::ManagedGridBase::data (C++ function), [1] libmolgrid::ManagedGridBase::dimension (C++ function) libmolgrid::ManagedGridBase::dimensions (C++ function) libmolgrid::ManagedGridBase::fill_zero (C++ function) libmolgrid::ManagedGridBase::gpu (C++ function), [1] libmolgrid::ManagedGridBase::gpu_grid_t (C++ type) libmolgrid::ManagedGridBase::N (C++ member) libmolgrid::ManagedGridBase::offset (C++ function) libmolgrid::ManagedGridBase::offsets (C++ function) libmolgrid::ManagedGridBase::oncpu (C++ function) libmolgrid::ManagedGridBase::ongpu (C++ function) libmolgrid::ManagedGridBase::operator cpu_grid_t (C++ function) libmolgrid::ManagedGridBase::operator cpu_grid_t& (C++ function) libmolgrid::ManagedGridBase::operator gpu_grid_t (C++ function) libmolgrid::ManagedGridBase::operator gpu_grid_t& (C++ function) libmolgrid::ManagedGridBase::operator() (C++ function), [1] libmolgrid::ManagedGridBase::operator== (C++ function) libmolgrid::ManagedGridBase::resized (C++ function) libmolgrid::ManagedGridBase::size (C++ function) libmolgrid::ManagedGridBase::tocpu (C++ function) libmolgrid::ManagedGridBase::togpu (C++ function) libmolgrid::ManagedGridBase::type (C++ type) libmolgrid::MappedAtomIndexTyper (C++ class) libmolgrid::MappedAtomIndexTyper::get_atom_type_index (C++ function) libmolgrid::MappedAtomIndexTyper::get_atom_type_vector (C++ function) libmolgrid::MappedAtomIndexTyper::get_int_type (C++ function) libmolgrid::MappedAtomIndexTyper::get_type_names (C++ function) libmolgrid::MappedAtomIndexTyper::get_type_radii (C++ function) libmolgrid::MappedAtomIndexTyper::is_vector_typer (C++ function) libmolgrid::MappedAtomIndexTyper::MappedAtomIndexTyper (C++ function) libmolgrid::MappedAtomIndexTyper::num_types (C++ function) libmolgrid::MappedAtomIndexTyper::set_names (C++ function) libmolgrid::MappedAtomIndexTyper::~MappedAtomIndexTyper (C++ function) libmolgrid::mgrid_buffer_data (C++ struct) libmolgrid::mgrid_buffer_data::gpu_ptr (C++ member) libmolgrid::mgrid_buffer_data::sent_to_gpu (C++ member) libmolgrid::NullIndexTyper (C++ class) libmolgrid::NullIndexTyper::get_atom_type_index (C++ function) libmolgrid::NullIndexTyper::get_atom_type_vector (C++ function) libmolgrid::NullIndexTyper::get_int_type (C++ function) libmolgrid::NullIndexTyper::get_type_names (C++ function) libmolgrid::NullIndexTyper::get_type_radii (C++ function) libmolgrid::NullIndexTyper::is_vector_typer (C++ function) libmolgrid::NullIndexTyper::NullIndexTyper (C++ function) libmolgrid::NullIndexTyper::num_types (C++ function) libmolgrid::NullIndexTyper::set_names (C++ function) libmolgrid::NullIndexTyper::~NullIndexTyper (C++ function) libmolgrid::Quaternion (C++ class) libmolgrid::Quaternion::conj (C++ function) libmolgrid::Quaternion::fl (C++ type) libmolgrid::Quaternion::inverse (C++ function) libmolgrid::Quaternion::norm (C++ function) libmolgrid::Quaternion::operator* (C++ function) libmolgrid::Quaternion::operator*= (C++ function), [1] libmolgrid::Quaternion::operator/ (C++ function), [1] libmolgrid::Quaternion::operator/= (C++ function), [1] libmolgrid::Quaternion::operator== (C++ function) libmolgrid::Quaternion::Quaternion (C++ function), [1] libmolgrid::Quaternion::R_component_1 (C++ function) libmolgrid::Quaternion::R_component_2 (C++ function) libmolgrid::Quaternion::R_component_3 (C++ function) libmolgrid::Quaternion::R_component_4 (C++ function) libmolgrid::Quaternion::real (C++ function) libmolgrid::Quaternion::rotate (C++ function) libmolgrid::Quaternion::transform (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider (C++ class) libmolgrid::ReceptorStratifiedExampleRefProvider::addref (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::check_batch_size (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::currenti (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::currentk (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::examples (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::has_group (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::large_epoch_size (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::nextref (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::num_labels (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::param (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::populate (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::randomize (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider (C++ function), [1] libmolgrid::ReceptorStratifiedExampleRefProvider::recmap (C++ member) libmolgrid::ReceptorStratifiedExampleRefProvider::reset (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::setup (C++ function), [1], [2] libmolgrid::ReceptorStratifiedExampleRefProvider::size (C++ function) libmolgrid::ReceptorStratifiedExampleRefProvider::small_epoch_size (C++ function) libmolgrid::SamplingExampleRefProvider (C++ class) libmolgrid::SamplingExampleRefProvider::addref (C++ function) libmolgrid::SamplingExampleRefProvider::check_batch_size (C++ function) libmolgrid::SamplingExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::SamplingExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::SamplingExampleRefProvider::has_group (C++ function) libmolgrid::SamplingExampleRefProvider::large_epoch_size (C++ function) libmolgrid::SamplingExampleRefProvider::nextref (C++ function) libmolgrid::SamplingExampleRefProvider::num_labels (C++ function) libmolgrid::SamplingExampleRefProvider::p1 (C++ member) libmolgrid::SamplingExampleRefProvider::p2 (C++ member) libmolgrid::SamplingExampleRefProvider::populate (C++ function) libmolgrid::SamplingExampleRefProvider::R (C++ member) libmolgrid::SamplingExampleRefProvider::reset (C++ function) libmolgrid::SamplingExampleRefProvider::sample_rate (C++ member) libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider (C++ function), [1] libmolgrid::SamplingExampleRefProvider::setup (C++ function) libmolgrid::SamplingExampleRefProvider::size (C++ function) libmolgrid::SamplingExampleRefProvider::small_epoch_size (C++ function) libmolgrid::StringCache (C++ class) libmolgrid::StringCache::get (C++ function) libmolgrid::StringCache::strings (C++ member) libmolgrid::SubsetAtomMapper (C++ class) libmolgrid::SubsetAtomMapper::default_type (C++ member) libmolgrid::SubsetAtomMapper::get_new_type (C++ function) libmolgrid::SubsetAtomMapper::get_type_names (C++ function) libmolgrid::SubsetAtomMapper::new_type_names (C++ member) libmolgrid::SubsetAtomMapper::num_new_types (C++ member) libmolgrid::SubsetAtomMapper::num_types (C++ function) libmolgrid::SubsetAtomMapper::old2new (C++ member) libmolgrid::SubsetAtomMapper::SubsetAtomMapper (C++ function), [1] libmolgrid::SubsettedElementTyper (C++ class) libmolgrid::SubsettedElementTyper::get_atom_type_index (C++ function) libmolgrid::SubsettedElementTyper::get_atom_type_vector (C++ function) libmolgrid::SubsettedElementTyper::get_int_type (C++ function) libmolgrid::SubsettedElementTyper::get_type_names (C++ function), [1] libmolgrid::SubsettedElementTyper::get_type_radii (C++ function), [1] libmolgrid::SubsettedElementTyper::is_vector_typer (C++ function) libmolgrid::SubsettedElementTyper::num_types (C++ function), [1] libmolgrid::SubsettedElementTyper::set_names (C++ function) libmolgrid::SubsettedElementTyper::SubsettedElementTyper (C++ function), [1], [2], [3] libmolgrid::SubsettedGninaTyper (C++ class) libmolgrid::SubsettedGninaTyper::get_atom_type_index (C++ function) libmolgrid::SubsettedGninaTyper::get_atom_type_vector (C++ function) libmolgrid::SubsettedGninaTyper::get_int_type (C++ function) libmolgrid::SubsettedGninaTyper::get_type_names (C++ function), [1] libmolgrid::SubsettedGninaTyper::get_type_radii (C++ function), [1] libmolgrid::SubsettedGninaTyper::is_vector_typer (C++ function) libmolgrid::SubsettedGninaTyper::num_types (C++ function), [1] libmolgrid::SubsettedGninaTyper::set_names (C++ function) libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper (C++ function), [1], [2], [3] libmolgrid::Transform (C++ class) libmolgrid::Transform::backward (C++ function), [1] libmolgrid::Transform::center (C++ member) libmolgrid::Transform::checkGrids (C++ function) libmolgrid::Transform::forward (C++ function), [1], [2], [3] libmolgrid::Transform::get_quaternion (C++ function) libmolgrid::Transform::get_rotation_center (C++ function) libmolgrid::Transform::get_translation (C++ function) libmolgrid::Transform::is_identity (C++ function) libmolgrid::Transform::Q (C++ member) libmolgrid::Transform::set_quaternion (C++ function) libmolgrid::Transform::set_rotation_center (C++ function) libmolgrid::Transform::set_translation (C++ function) libmolgrid::Transform::Transform (C++ function), [1], [2] libmolgrid::Transform::translate (C++ member) libmolgrid::UniformExampleRefProvider (C++ class) libmolgrid::UniformExampleRefProvider::addref (C++ function) libmolgrid::UniformExampleRefProvider::all (C++ member) libmolgrid::UniformExampleRefProvider::check_batch_size (C++ function) libmolgrid::UniformExampleRefProvider::current (C++ member) libmolgrid::UniformExampleRefProvider::current_copy (C++ member) libmolgrid::UniformExampleRefProvider::epoch (C++ member) libmolgrid::UniformExampleRefProvider::get_large_epoch_num (C++ function) libmolgrid::UniformExampleRefProvider::get_small_epoch_num (C++ function) libmolgrid::UniformExampleRefProvider::has_group (C++ function) libmolgrid::UniformExampleRefProvider::large_epoch_size (C++ function) libmolgrid::UniformExampleRefProvider::ncopies (C++ member) libmolgrid::UniformExampleRefProvider::nextref (C++ function) libmolgrid::UniformExampleRefProvider::nlabels (C++ member) libmolgrid::UniformExampleRefProvider::num_labels (C++ function) libmolgrid::UniformExampleRefProvider::operator[] (C++ function) libmolgrid::UniformExampleRefProvider::populate (C++ function) libmolgrid::UniformExampleRefProvider::randomize (C++ member) libmolgrid::UniformExampleRefProvider::reset (C++ function) libmolgrid::UniformExampleRefProvider::setup (C++ function) libmolgrid::UniformExampleRefProvider::size (C++ function) libmolgrid::UniformExampleRefProvider::small_epoch_size (C++ function) libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider (C++ function), [1] libmolgrid::ValueStratifiedExampleRefProfider (C++ class) libmolgrid::ValueStratifiedExampleRefProfider::addref (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::bin (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::check_batch_size (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::currenti (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::examples (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::get_large_epoch_num (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::get_small_epoch_num (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::has_group (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::large_epoch_size (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::max (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::min (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::nextref (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::num_labels (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::populate (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::reset (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::setup (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::size (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::small_epoch_size (C++ function) libmolgrid::ValueStratifiedExampleRefProfider::step (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::use_abs (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::valpos (C++ member) libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider (C++ function), [1]