Index

A

add_data_directory (C++ function) add_file_resource (C++ function) align_points (C++ function) all (C++ function) angle (C++ function) any (C++ member) atom_type (C++ enum) atom_type::Ac (C++ enumerator) atom_type::Ag (C++ enumerator) atom_type::Al (C++ enumerator) atom_type::Am (C++ enumerator) atom_type::Ar (C++ enumerator) atom_type::As (C++ enumerator) atom_type::At (C++ enumerator) atom_type::Au (C++ enumerator) atom_type::B (C++ enumerator) atom_type::Ba (C++ enumerator) atom_type::Be (C++ enumerator) atom_type::Bh (C++ enumerator) atom_type::Bi (C++ enumerator) atom_type::Bk (C++ enumerator) atom_type::Br (C++ enumerator) atom_type::C (C++ enumerator) atom_type::Ca (C++ enumerator) atom_type::Cd (C++ enumerator) atom_type::Ce (C++ enumerator) atom_type::Cf (C++ enumerator) atom_type::Cl (C++ enumerator) atom_type::Cm (C++ enumerator) atom_type::Cn (C++ enumerator) atom_type::Co (C++ enumerator) atom_type::Cr (C++ enumerator) atom_type::Cs (C++ enumerator) atom_type::Cu (C++ enumerator) atom_type::D (C++ enumerator) atom_type::Db (C++ enumerator) atom_type::Ds (C++ enumerator) atom_type::Dy (C++ enumerator) atom_type::Er (C++ enumerator) atom_type::Es (C++ enumerator) atom_type::Eu (C++ enumerator) atom_type::F (C++ enumerator) atom_type::Fe (C++ enumerator) atom_type::Fl (C++ enumerator) atom_type::Fm (C++ enumerator) atom_type::Fr (C++ enumerator) atom_type::Ga (C++ enumerator) atom_type::Gd (C++ enumerator) atom_type::Ge (C++ enumerator) atom_type::H (C++ enumerator) atom_type::He (C++ enumerator) atom_type::Hf (C++ enumerator) atom_type::Hg (C++ enumerator) atom_type::Ho (C++ enumerator) atom_type::Hs (C++ enumerator) atom_type::I (C++ enumerator) atom_type::In (C++ enumerator) atom_type::Ir (C++ enumerator) atom_type::K (C++ enumerator) atom_type::Kr (C++ enumerator) atom_type::La (C++ enumerator) atom_type::Li (C++ enumerator) atom_type::Lr (C++ enumerator) atom_type::Lu (C++ enumerator) atom_type::Lv (C++ enumerator) atom_type::Mc (C++ enumerator) atom_type::Md (C++ enumerator) atom_type::Mg (C++ enumerator) atom_type::Mn (C++ enumerator) atom_type::Mo (C++ enumerator) atom_type::Mt (C++ enumerator) atom_type::N (C++ enumerator) atom_type::Na (C++ enumerator) atom_type::Nb (C++ enumerator) atom_type::Nd (C++ enumerator)

atom_type::Ne (C++ enumerator) atom_type::Nh (C++ enumerator) atom_type::Ni (C++ enumerator) atom_type::Nn (C++ enumerator) atom_type::No (C++ enumerator) atom_type::Np (C++ enumerator) atom_type::O (C++ enumerator) atom_type::Og (C++ enumerator) atom_type::Os (C++ enumerator) atom_type::P (C++ enumerator) atom_type::Pa (C++ enumerator) atom_type::Pb (C++ enumerator) atom_type::Pd (C++ enumerator) atom_type::Pm (C++ enumerator) atom_type::Po (C++ enumerator) atom_type::Pr (C++ enumerator) atom_type::Pt (C++ enumerator) atom_type::Pu (C++ enumerator) atom_type::Ra (C++ enumerator) atom_type::Rb (C++ enumerator) atom_type::Re (C++ enumerator) atom_type::Rf (C++ enumerator) atom_type::Rg (C++ enumerator) atom_type::Rh (C++ enumerator) atom_type::Rn (C++ enumerator) atom_type::Ru (C++ enumerator) atom_type::S (C++ enumerator) atom_type::Sb (C++ enumerator) atom_type::Sc (C++ enumerator) atom_type::Se (C++ enumerator) atom_type::Sg (C++ enumerator) atom_type::Si (C++ enumerator) atom_type::Sm (C++ enumerator) atom_type::Sn (C++ enumerator) atom_type::Sr (C++ enumerator) atom_type::Ta (C++ enumerator) atom_type::Tb (C++ enumerator) atom_type::Tc (C++ enumerator) atom_type::Te (C++ enumerator) atom_type::Th (C++ enumerator) atom_type::Ti (C++ enumerator) atom_type::Tl (C++ enumerator) atom_type::Tm (C++ enumerator) atom_type::Ts (C++ enumerator) atom_type::U (C++ enumerator) atom_type::V (C++ enumerator) atom_type::W (C++ enumerator) atom_type::Xe (C++ enumerator) atom_type::Y (C++ enumerator) atom_type::Yb (C++ enumerator) atom_type::Zn (C++ enumerator) atom_type::Zr (C++ enumerator) atom_type_info (C++ struct) atom_type_info::metal (C++ member) atom_type_info::name (C++ member) atom_type_info::radii (C++ member) atom_type_info::symbol (C++ member) atom_type_info::type (C++ member) atom_type_info::weight (C++ member) atom_type_traits (C++ class) atom_type_traits::atom_type_traits (C++ function), [1] atom_type_traits::crystal_ionic_radius (C++ function) atom_type_traits::effective_ionic_radius (C++ function) atom_type_traits::elsf (C++ function) atom_type_traits::has_sf (C++ function) atom_type_traits::ionic_radius (C++ function) atom_type_traits::is_element (C++ function) atom_type_traits::is_metal (C++ function), [1] atom_type_traits::kWKSFVal (C++ member) atom_type_traits::name (C++ function) atom_type_traits::radius (C++ function) atom_type_traits::SFData (C++ struct), [1] atom_type_traits::symbol (C++ function) atom_type_traits::type (C++ function) atom_type_traits::weight (C++ function) atom_type_traits::wksf (C++ function)

B

bond_type (C++ enum) bond_type::arom (C++ enumerator) bond_type::delo (C++ enumerator) bond_type::doub (C++ enumerator) bond_type::pi (C++ enumerator)

bond_type::poly (C++ enumerator) bond_type::quad (C++ enumerator) bond_type::sing (C++ enumerator) bond_type::trip (C++ enumerator) bond_type_to_string (C++ function)

C

category (C++ class) category::add_column (C++ function) category::add_item (C++ function) category::back (C++ function), [1] category::begin (C++ function), [1] category::category (C++ function), [1], [2], [3] category::cbegin (C++ function) category::cend (C++ function) category::clear (C++ function) category::contains (C++ function) category::count (C++ function) category::emplace (C++ function), [1] category::empty (C++ function) category::end (C++ function), [1] category::erase (C++ function), [1], [2], [3] category::exists (C++ function) category::find (C++ function), [1], [2], [3], [4], [5], [6], [7] category::find1 (C++ function), [1], [2], [3], [4], [5], [6], [7], [8] category::find_first (C++ function), [1], [2], [3], [4], [5], [6], [7] category::find_max (C++ function), [1] category::find_min (C++ function), [1] category::front (C++ function), [1] category::get_cat_validator (C++ function) category::get_children (C++ function) category::get_column_ix (C++ function) category::get_column_name (C++ function) category::get_columns (C++ function) category::get_item_ix (C++ function) category::get_item_name (C++ function) category::get_item_order (C++ function) category::get_items (C++ function) category::get_linked (C++ function) category::get_parents (C++ function) category::get_tag_order (C++ function) category::get_unique_id (C++ function), [1] category::get_unique_value (C++ function) category::get_validator (C++ function) category::has_children (C++ function) category::has_column (C++ function) category::has_item (C++ function) category::has_parents (C++ function) category::is_valid (C++ function) category::item_entry (C++ struct) category::item_entry::item_entry (C++ function) category::item_entry::m_name (C++ member) category::item_entry::m_validator (C++ member) category::key_field_indices (C++ function) category::key_fields (C++ function) category::key_item_indices (C++ function) category::key_items (C++ function) category::key_type (C++ type) category::link (C++ struct) category::link::link (C++ function) category::link::linked (C++ member) category::link::v (C++ member) category::max_size (C++ function) category::name (C++ function) category::operator!= (C++ function) category::operator<< (C++ function) category::operator= (C++ function) category::operator== (C++ function) category::operator[] (C++ function), [1] category::remove_column (C++ function) category::remove_item (C++ function) category::rename_column (C++ function) category::rename_item (C++ function) category::reorder_by_index (C++ function) category::rows (C++ function), [1] category::set_validator (C++ function) category::size (C++ function) category::sort (C++ function) category::swap (C++ function) category::update_links (C++ function) category::update_value (C++ function), [1], [2], [3] category::validate_links (C++ function) category::value_provider_type (C++ type) category::write (C++ function), [1] category::~category (C++ function) category_validator (C++ struct) category_validator::add_item_validator (C++ function) category_validator::get_validator_for_aliased_item (C++ function) category_validator::get_validator_for_item (C++ function) category_validator::m_groups (C++ member) category_validator::m_item_validators (C++ member) category_validator::m_keys (C++ member) category_validator::m_mandatory_items (C++ member) category_validator::m_name (C++ member) category_validator::operator< (C++ function) cell (C++ class) cell::cell (C++ function), [1] cell::get_a (C++ function) cell::get_alpha (C++ function) cell::get_b (C++ function) cell::get_beta (C++ function) cell::get_c (C++ function) cell::get_fractional_matrix (C++ function) cell::get_gamma (C++ function) cell::get_orthogonal_matrix (C++ function) cell::get_volume (C++ function) center_points (C++ function) centroid (C++ function) chars_format (C++ enum) chars_format::fixed (C++ enumerator) chars_format::general (C++ enumerator) chars_format::scientific (C++ enumerator) cif_id_for_number (C++ function) CIFPP_DEPRECATED (C macro) CIFPP_DEPRECATED_EXPORT (C macro) CIFPP_DEPRECATED_NO_EXPORT (C macro)

CIFPP_NO_EXPORT (C macro) colour::colour_type (C++ enum) colour::colour_type::black (C++ enumerator) colour::colour_type::blue (C++ enumerator) colour::colour_type::cyan (C++ enumerator) colour::colour_type::green (C++ enumerator) colour::colour_type::magenta (C++ enumerator) colour::colour_type::none (C++ enumerator) colour::colour_type::red (C++ enumerator) colour::colour_type::white (C++ enumerator) colour::colour_type::yellow (C++ enumerator) colour::detail::coloured_string_t (C++ struct) colour::detail::coloured_string_t::coloured_string_t (C++ function) colour::detail::coloured_string_t::operator<< (C++ function) colour::detail::coloured_string_t::operator= (C++ function) colour::style_type (C++ enum) colour::style_type::blink (C++ enumerator) colour::style_type::bold (C++ enumerator) colour::style_type::inverse (C++ enumerator) colour::style_type::regular (C++ enumerator) colour::style_type::underlined (C++ enumerator) compound (C++ class) compound::atoms (C++ function) compound::atoms_bonded (C++ function) compound::bond_length (C++ function) compound::bonds (C++ function) compound::formal_charge (C++ function) compound::formula (C++ function) compound::formula_weight (C++ function) compound::get_atom_by_atom_id (C++ function) compound::id (C++ function) compound::is_base (C++ function) compound::is_peptide (C++ function) compound::is_water (C++ function) compound::name (C++ function) compound::one_letter_code (C++ function) compound::parent_id (C++ function) compound::type (C++ function) compound_atom (C++ struct) compound_atom::aromatic (C++ member) compound_atom::charge (C++ member) compound_atom::get_location (C++ function) compound_atom::id (C++ member) compound_atom::leaving_atom (C++ member) compound_atom::stereo_config (C++ member) compound_atom::type_symbol (C++ member) compound_atom::x (C++ member) compound_atom::y (C++ member) compound_atom::z (C++ member) compound_bond (C++ struct) compound_bond::aromatic (C++ member) compound_bond::atom_id (C++ member) compound_bond::stereo_config (C++ member) compound_bond::type (C++ member) compound_factory (C++ class) compound_factory::clear (C++ function) compound_factory::create (C++ function) compound_factory::init (C++ function) compound_factory::instance (C++ function) compound_factory::is_base (C++ function) compound_factory::is_known_base (C++ function) compound_factory::is_known_peptide (C++ function) compound_factory::is_monomer (C++ function) compound_factory::is_peptide (C++ function) compound_factory::is_std_base (C++ function) compound_factory::is_std_monomer (C++ function) compound_factory::is_std_peptide (C++ function) compound_factory::is_water (C++ function) compound_factory::pop_dictionary (C++ function) compound_factory::push_dictionary (C++ function), [1] compound_factory::report_missing_compound (C++ function) compound_factory::set_default_dictionary (C++ function) compound_factory::~compound_factory (C++ function) compound_source (C++ class) compound_source::compound_source (C++ function) compound_source::~compound_source (C++ function) condition (C++ class) condition::condition (C++ function), [1], [2], [3] condition::empty (C++ function) condition::operator bool (C++ function) condition::operator&& (C++ function) condition::operator() (C++ function) condition::operator<< (C++ function) condition::operator= (C++ function), [1] condition::operator|| (C++ function) condition::prepare (C++ function) condition::single (C++ function) condition::swap (C++ function) condition::~condition (C++ function) conditional_iterator_proxy (C++ class) conditional_iterator_proxy::begin (C++ function) conditional_iterator_proxy::category (C++ function) conditional_iterator_proxy::empty (C++ function) conditional_iterator_proxy::end (C++ function) conditional_iterator_proxy::front (C++ function) conditional_iterator_proxy::operator bool (C++ function) conditional_iterator_proxy::size (C++ function) conditional_iterator_proxy::swap (C++ function) construct_for_dihedral_angle (C++ function) construct_from_angle_axis (C++ function) contains (C++ function) cosinus_angle (C++ function) cross_product (C++ function) crystal (C++ class) crystal::closest_symmetry_copy (C++ function) crystal::crystal (C++ function), [1] crystal::get_cell (C++ function) crystal::get_spacegroup (C++ function) crystal::inverse_symmetry_copy (C++ function) crystal::symmetry_copy (C++ function)

D

datablock (C++ class) datablock::datablock (C++ function), [1] datablock::emplace (C++ function) datablock::get (C++ function), [1] datablock::get_item_order (C++ function) datablock::get_tag_order (C++ function) datablock::get_validator (C++ function) datablock::is_valid (C++ function), [1] datablock::name (C++ function) datablock::operator<< (C++ function) datablock::operator== (C++ function) datablock::operator[] (C++ function), [1] datablock::set_name (C++ function) datablock::set_validator (C++ function)

datablock::swap_ (C++ function) datablock::validate_links (C++ function) datablock::write (C++ function), [1] DDL_PrimitiveType (C++ enum) DDL_PrimitiveType::Char (C++ enumerator) DDL_PrimitiveType::Numb (C++ enumerator) DDL_PrimitiveType::UChar (C++ enumerator) determinant (C++ function), [1] dihedral_angle (C++ function) distance (C++ function) distance_point_to_line (C++ function) distance_squared (C++ function) dot_product (C++ function) duplicate_key_error (C++ class) duplicate_key_error::duplicate_key_error (C++ function)

E

empty_type (C++ struct)

ends_with (C++ function) extend_dictionary (C++ function)

F

file (C++ class) file::contains (C++ function) file::emplace (C++ function) file::file (C++ function), [1], [2], [3] file::front (C++ function), [1] file::get_validator (C++ function) file::is_valid (C++ function), [1] file::load (C++ function), [1] file::load_dictionary (C++ function), [1] file::operator<< (C++ function) file::operator[] (C++ function), [1]

file::save (C++ function), [1] file::set_validator (C++ function) file::validate_links (C++ function) fill_out_streambuf (C++ class) fill_out_streambuf::fill_out_streambuf (C++ function) fill_out_streambuf::get_line_count (C++ function) fill_out_streambuf::get_upstream (C++ function) fill_out_streambuf::overflow (C++ function) format (C++ function) fractional (C++ function) from_chars (C++ function) from_chars_function (C++ type)

G

get_category_fields (C++ function) get_category_items (C++ function) get_item_ix (C++ function) get_space_group_number (C++ function), [1], [2] get_terminal_width (C++ function) get_version_nr (C++ function) gzio::basic_ifstream (C++ class) gzio::basic_ifstream::basic_ifstream (C++ function), [1], [2], [3] gzio::basic_ifstream::close (C++ function) gzio::basic_ifstream::is_open (C++ function) gzio::basic_ifstream::open (C++ function), [1], [2] gzio::basic_ifstream::operator= (C++ function) gzio::basic_ifstream::swap (C++ function) gzio::basic_igzip_streambuf (C++ class) gzio::basic_igzip_streambuf::basic_igzip_streambuf (C++ function) gzio::basic_igzip_streambuf::close (C++ function) gzio::basic_igzip_streambuf::init (C++ function) gzio::basic_istream (C++ class) gzio::basic_istream::basic_istream (C++ function), [1], [2] gzio::basic_istream::init_z (C++ function) gzio::basic_istream::m_gziobuf (C++ member) gzio::basic_istream::operator= (C++ function) gzio::basic_ofstream (C++ class)

gzio::basic_ofstream::basic_ofstream (C++ function), [1], [2], [3] gzio::basic_ofstream::close (C++ function) gzio::basic_ofstream::is_open (C++ function) gzio::basic_ofstream::open (C++ function), [1], [2] gzio::basic_ofstream::operator= (C++ function) gzio::basic_ofstream::swap (C++ function) gzio::basic_ogzip_streambuf (C++ class) gzio::basic_ogzip_streambuf::close (C++ function) gzio::basic_ogzip_streambuf::init (C++ function) gzio::basic_ogzip_streambuf::operator= (C++ function) gzio::basic_ogzip_streambuf::~basic_ogzip_streambuf (C++ function) gzio::basic_ostream (C++ class) gzio::basic_ostream::basic_ostream (C++ function), [1] gzio::basic_ostream::init_z (C++ function) gzio::basic_ostream::m_gziobuf (C++ member) gzio::basic_ostream::operator= (C++ function) gzio::basic_streambuf (C++ class) gzio::basic_streambuf::m_upstream (C++ member) gzio::basic_streambuf::set_upstream (C++ function) gzio::ifstream (C++ type) gzio::istream (C++ type) gzio::kDefaultBufferSize (C++ member) gzio::ofstream (C++ type)

I

icompare (C++ function), [1] icontains (C++ function) identity_matrix (C++ class) identity_matrix::dim_m (C++ function) identity_matrix::dim_n (C++ function) identity_matrix::identity_matrix (C++ function) identity_matrix::operator() (C++ function) identity_matrix::value_type (C++ type) iequals (C++ function), [1] iless (C++ struct) iless::operator() (C++ function) inverse (C++ function), [1] ionic_radius_type (C++ enum) ionic_radius_type::crystal (C++ enumerator) ionic_radius_type::effective (C++ enumerator) is_item_type_uchar (C++ function) iset (C++ type) item (C++ class) item::empty (C++ function) item::get (C++ function) item::is_null (C++ function) item::is_unknown (C++ function) item::item (C++ function), [1], [2], [3], [4], [5], [6], [7], [8], [9], [10] item::length (C++ function) item::name (C++ function) item::value (C++ function), [1], [2] item_alias (C++ struct) item_alias::item_alias (C++ function), [1] item_alias::m_dict (C++ member) item_alias::m_name (C++ member) item_alias::m_vers (C++ member) item_alias::operator= (C++ function) item_handle (C++ struct) item_handle::as (C++ function) item_handle::compare (C++ function) item_handle::empty (C++ function) item_handle::is_null (C++ function) item_handle::is_unknown (C++ function) item_handle::item_handle (C++ function) item_handle::operator bool (C++ function)

item_handle::operator!= (C++ function) item_handle::operator= (C++ function), [1], [2] item_handle::operator== (C++ function) item_handle::os (C++ function) item_handle::swap (C++ function), [1] item_handle::text (C++ function) item_handle::value_or (C++ function) item_validator (C++ struct) item_validator::m_aliases (C++ member) item_validator::m_category (C++ member) item_validator::m_default (C++ member) item_validator::m_enums (C++ member) item_validator::m_item_name (C++ member) item_validator::m_mandatory (C++ member) item_validator::m_type (C++ member) item_validator::operator() (C++ function) item_validator::operator< (C++ function) item_validator::operator== (C++ function) item_validator::validate_value (C++ function) item_value (C++ struct) item_value::[anonymous] (C++ member) item_value::item_value (C++ function) item_value::kBufferSize (C++ member) item_value::m_data (C++ member) item_value::m_length (C++ member) item_value::m_local_data (C++ member) item_value::m_storage (C++ member) item_value::operator bool (C++ function) item_value::text (C++ function) iterator_impl (C++ class) iterator_impl::N (C++ member) iterator_impl<Category, T> (C++ class) iterator_impl<Category> (C++ class) iterator_proxy (C++ class) iterator_proxy::begin (C++ function) iterator_proxy::category (C++ function) iterator_proxy::empty (C++ function) iterator_proxy::end (C++ function) iterator_proxy::operator bool (C++ function) iterator_proxy::size (C++ function) iterator_proxy::swap (C++ function)

J

join (C++ function), [1]

K

key (C++ struct) key::key (C++ function), [1], [2], [3] key::m_item_name (C++ member)

key::operator= (C++ function) kNA (C++ member) kPI (C++ member) kRadiusTypeCount (C++ member)

L

link_validator (C++ struct) link_validator::m_child_category (C++ member) link_validator::m_child_keys (C++ member) link_validator::m_link_group_id (C++ member) link_validator::m_link_group_label (C++ member) link_validator::m_parent_category (C++ member)

link_validator::m_parent_keys (C++ member) list_data_directories (C++ function) list_file_resources (C++ function) literals::operator""_key (C++ function) literals::operator""_symop (C++ function) load_resource (C++ function)

M

make_error_code (C++ function) make_error_condition (C++ function) map_to_primitive_type (C++ function), [1] matrix (C++ class) matrix3x3 (C++ type) matrix4x4 (C++ type) matrix::dim_m (C++ function) matrix::dim_n (C++ function) matrix::matrix (C++ function), [1] matrix::operator() (C++ function), [1] matrix::value_type (C++ type) matrix_cofactors (C++ class) matrix_cofactors::dim_m (C++ function) matrix_cofactors::dim_n (C++ function) matrix_cofactors::matrix_cofactors (C++ function) matrix_cofactors::operator() (C++ function) matrix_expression (C++ class) matrix_expression::dim_m (C++ function) matrix_expression::dim_n (C++ function) matrix_expression::empty (C++ function) matrix_expression::operator() (C++ function), [1] matrix_expression::operator<< (C++ function) matrix_expression::swap_col (C++ function) matrix_expression::swap_row (C++ function) matrix_fixed (C++ class) matrix_fixed::dim_m (C++ function) matrix_fixed::dim_n (C++ function) matrix_fixed::fill (C++ function) matrix_fixed::kSize (C++ member) matrix_fixed::matrix_fixed (C++ function), [1], [2] matrix_fixed::operator() (C++ function), [1] matrix_fixed::value_type (C++ type) matrix_matrix_multiplication (C++ class) matrix_matrix_multiplication::dim_m (C++ function) matrix_matrix_multiplication::dim_n (C++ function) matrix_matrix_multiplication::matrix_matrix_multiplication (C++ function) matrix_matrix_multiplication::operator() (C++ function) matrix_scalar_multiplication (C++ class) matrix_scalar_multiplication::dim_m (C++ function) matrix_scalar_multiplication::dim_n (C++ function) matrix_scalar_multiplication::matrix_scalar_multiplication (C++ function) matrix_scalar_multiplication::operator() (C++ function) matrix_scalar_multiplication::value_type (C++ type) matrix_subtraction (C++ class) matrix_subtraction::dim_m (C++ function) matrix_subtraction::dim_n (C++ function) matrix_subtraction::matrix_subtraction (C++ function) matrix_subtraction::operator() (C++ function) missing_key_error (C++ class) missing_key_error::get_key (C++ function) missing_key_error::missing_key_error (C++ function) mm::atom (C++ class) mm::atom::atom (C++ function), [1], [2], [3], [4] mm::atom::compare (C++ function) mm::atom::get_auth_alt_id (C++ function) mm::atom::get_auth_asym_id (C++ function) mm::atom::get_auth_atom_id (C++ function) mm::atom::get_auth_comp_id (C++ function) mm::atom::get_auth_seq_id (C++ function) mm::atom::get_charge (C++ function) mm::atom::get_label_alt_id (C++ function) mm::atom::get_label_asym_id (C++ function) mm::atom::get_label_atom_id (C++ function) mm::atom::get_label_comp_id (C++ function) mm::atom::get_label_entity_id (C++ function) mm::atom::get_label_seq_id (C++ function) mm::atom::get_location (C++ function) mm::atom::get_occupancy (C++ function) mm::atom::get_pdb_ins_code (C++ function) mm::atom::get_property (C++ function) mm::atom::get_property_float (C++ function) mm::atom::get_property_int (C++ function) mm::atom::get_row (C++ function) mm::atom::get_row_aniso (C++ function) mm::atom::get_type (C++ function) mm::atom::id (C++ function) mm::atom::is_alternate (C++ function) mm::atom::is_back_bone (C++ function) mm::atom::is_symmetry_copy (C++ function) mm::atom::is_water (C++ function) mm::atom::operator bool (C++ function) mm::atom::operator!= (C++ function) mm::atom::operator< (C++ function) mm::atom::operator<< (C++ function) mm::atom::operator= (C++ function) mm::atom::operator== (C++ function) mm::atom::pdb_id (C++ function) mm::atom::rotate (C++ function), [1] mm::atom::set_location (C++ function) mm::atom::set_property (C++ function), [1] mm::atom::swap (C++ function) mm::atom::symmetry (C++ function) mm::atom::translate (C++ function) mm::atom::translate_and_rotate (C++ function) mm::atom::translate_rotate_and_translate (C++ function) mm::branch (C++ class) mm::branch::branch (C++ function), [1] mm::branch::construct_sugar (C++ function), [1] mm::branch::get_asym_id (C++ function) mm::branch::get_entity_id (C++ function) mm::branch::get_structure (C++ function), [1] mm::branch::get_sugar_by_num (C++ function), [1] mm::branch::link_atoms (C++ function) mm::branch::name (C++ function) mm::branch::operator= (C++ function) mm::branch::weight (C++ function) mm::distance (C++ function) mm::distance_squared (C++ function) mm::EntityType (C++ enum) mm::EntityType::Branched (C++ enumerator) mm::EntityType::Macrolide (C++ enumerator) mm::EntityType::NonPolymer (C++ enumerator) mm::EntityType::Polymer (C++ enumerator) mm::EntityType::Water (C++ enumerator) mm::monomer (C++ class) mm::monomer::alpha (C++ function)

mm::monomer::are_bonded (C++ function) mm::monomer::C (C++ function) mm::monomer::CAlpha (C++ function) mm::monomer::chi (C++ function) mm::monomer::chiral_volume (C++ function) mm::monomer::create_new_atom (C++ function) mm::monomer::H (C++ function) mm::monomer::has_alpha (C++ function) mm::monomer::has_alternate_backbone_atoms (C++ function) mm::monomer::has_kappa (C++ function) mm::monomer::is_bonded_to (C++ function) mm::monomer::is_cis (C++ function), [1] mm::monomer::is_complete (C++ function) mm::monomer::is_first_in_chain (C++ function) mm::monomer::is_last_in_chain (C++ function) mm::monomer::kappa (C++ function) mm::monomer::monomer (C++ function), [1], [2] mm::monomer::N (C++ function) mm::monomer::nr_of_chis (C++ function) mm::monomer::O (C++ function) mm::monomer::omega (C++ function), [1] mm::monomer::operator= (C++ function), [1] mm::monomer::operator== (C++ function) mm::monomer::phi (C++ function) mm::monomer::psi (C++ function) mm::monomer::tco (C++ function) mm::operator& (C++ function) mm::polymer (C++ class) mm::polymer::get_asym_id (C++ function) mm::polymer::get_auth_asym_id (C++ function) mm::polymer::get_entity_id (C++ function) mm::polymer::get_structure (C++ function) mm::polymer::operator= (C++ function) mm::polymer::polymer (C++ function), [1] mm::residue (C++ class) mm::residue::add_atom (C++ function) mm::residue::atoms (C++ function), [1] mm::residue::center_and_radius (C++ function) mm::residue::create_new_atom (C++ function) mm::residue::entity_type (C++ function) mm::residue::get_alternate_ids (C++ function) mm::residue::get_asym_id (C++ function) mm::residue::get_atom_by_atom_id (C++ function) mm::residue::get_atom_ids (C++ function) mm::residue::get_atoms_by_id (C++ function) mm::residue::get_auth_asym_id (C++ function) mm::residue::get_auth_seq_id (C++ function) mm::residue::get_compound_id (C++ function) mm::residue::get_entity_id (C++ function) mm::residue::get_pdb_ins_code (C++ function) mm::residue::get_seq_id (C++ function) mm::residue::get_structure (C++ function) mm::residue::has_alternate_atoms (C++ function) mm::residue::has_alternate_atoms_for (C++ function) mm::residue::is_entity (C++ function) mm::residue::is_water (C++ function) mm::residue::operator<< (C++ function) mm::residue::operator== (C++ function) mm::residue::residue (C++ function), [1] mm::residue::set_compound_id (C++ function) mm::residue::unique_atoms (C++ function) mm::structure (C++ class) mm::structure::atoms (C++ function) mm::structure::branches (C++ function), [1] mm::structure::change_residue (C++ function) mm::structure::cleanup_empty_categories (C++ function) mm::structure::create_branch (C++ function) mm::structure::create_non_poly (C++ function), [1] mm::structure::create_non_poly_entity (C++ function) mm::structure::create_residue (C++ function) mm::structure::create_water (C++ function) mm::structure::emplace_atom (C++ function), [1] mm::structure::get_atom_by_id (C++ function) mm::structure::get_atom_by_label (C++ function) mm::structure::get_atom_by_position (C++ function) mm::structure::get_atom_by_position_and_type (C++ function) mm::structure::get_branch_by_asym_id (C++ function), [1] mm::structure::get_category (C++ function) mm::structure::get_datablock (C++ function) mm::structure::get_entity_type_for_asym_id (C++ function) mm::structure::get_entity_type_for_entity_id (C++ function) mm::structure::get_model_nr (C++ function) mm::structure::get_polymer_by_asym_id (C++ function), [1] mm::structure::get_residue (C++ function), [1], [2], [3], [4], [5], [6], [7] mm::structure::has_atom_id (C++ function) mm::structure::move_atom (C++ function) mm::structure::non_polymers (C++ function) mm::structure::operator= (C++ function) mm::structure::polymers (C++ function), [1] mm::structure::remove_atom (C++ function) mm::structure::remove_branch (C++ function) mm::structure::remove_residue (C++ function), [1] mm::structure::reorder_atoms (C++ function) mm::structure::rotate (C++ function) mm::structure::structure (C++ function), [1], [2] mm::structure::swap_atoms (C++ function) mm::structure::translate (C++ function) mm::structure::translate_and_rotate (C++ function) mm::structure::translate_rotate_and_translate (C++ function) mm::structure::validate_atoms (C++ function) mm::structure::~structure (C++ function) mm::StructureOpenOptions (C++ enum) mm::StructureOpenOptions::SkipHydrogen (C++ enumerator) mm::sugar (C++ class) mm::sugar::add_atom (C++ function) mm::sugar::get_link (C++ function) mm::sugar::get_link_nr (C++ function) mm::sugar::name (C++ function) mm::sugar::num (C++ function) mm::sugar::set_link (C++ function) mm::sugar::sugar (C++ function) mm::swap (C++ function) multiple_results_error (C++ class) multiple_results_error::multiple_results_error (C++ function) my_charconv (C++ struct) my_charconv::from_chars (C++ function) my_charconv::to_chars (C++ function)

N

nudge (C++ function)

null (C++ member)

O

operator and (C++ function) operator not (C++ function) operator or (C++ function) operator!= (C++ function), [1], [2], [3] operator* (C++ function), [1], [2] operator- (C++ function)

operator< (C++ function), [1] operator<= (C++ function), [1] operator== (C++ function), [1], [2], [3], [4], [5], [6] operator> (C++ function), [1] operator>= (C++ function), [1] orthogonal (C++ function)

P

parse_bond_type_from_string (C++ function) parse_dictionary (C++ function) parse_error (C++ class) parse_error::parse_error (C++ function) parse_stereo_config_from_string (C++ function) parser (C++ class) parser::parser (C++ function) pdb::get_AUTHOR_line (C++ function) pdb::get_COMPND_line (C++ function) pdb::get_HEADER_line (C++ function) pdb::get_SOURCE_line (C++ function) pdb::is_valid_pdbx_file (C++ function), [1], [2] pdb::read (C++ function), [1] pdb::read_pdb_file (C++ function) pdb::reconstruct_pdbx (C++ function) pdb::write (C++ function), [1], [2], [3] point (C++ type) point_type (C++ struct) point_type::get_x (C++ function), [1] point_type::get_y (C++ function), [1] point_type::get_z (C++ function), [1] point_type::length (C++ function) point_type::length_sq (C++ function) point_type::m_x (C++ member)

point_type::m_y (C++ member) point_type::m_z (C++ member) point_type::normalize (C++ function) point_type::operator clipper::Coord_orth (C++ function) point_type::operator!= (C++ function) point_type::operator*= (C++ function) point_type::operator+= (C++ function), [1] point_type::operator-= (C++ function), [1] point_type::operator/= (C++ function) point_type::operator<< (C++ function) point_type::operator= (C++ function), [1] point_type::operator== (C++ function) point_type::point_type (C++ function), [1], [2], [3], [4] point_type::rotate (C++ function), [1] point_type::set_x (C++ function) point_type::set_y (C++ function) point_type::set_z (C++ function) point_type::value_type (C++ type) progress_bar (C++ class) progress_bar::consumed (C++ function) progress_bar::message (C++ function) progress_bar::progress (C++ function) progress_bar::progress_bar (C++ function) progress_bar::~progress_bar (C++ function)

Q

quaternion (C++ type) quaternion_to_angle_axis (C++ function) quaternion_type (C++ class) quaternion_type::get_a (C++ function) quaternion_type::get_b (C++ function) quaternion_type::get_c (C++ function) quaternion_type::get_d (C++ function) quaternion_type::operator bool (C++ function) quaternion_type::operator!= (C++ function) quaternion_type::operator*= (C++ function), [1], [2]

quaternion_type::operator+= (C++ function), [1], [2] quaternion_type::operator-= (C++ function), [1], [2] quaternion_type::operator/= (C++ function), [1], [2] quaternion_type::operator= (C++ function), [1], [2], [3] quaternion_type::operator== (C++ function) quaternion_type::quaternion_type (C++ function), [1], [2], [3], [4] quaternion_type::real (C++ function) quaternion_type::swap (C++ function) quaternion_type::unreal (C++ function) quaternion_type::value_type (C++ type)

R

radius_type (C++ enum) radius_type::calculated (C++ enumerator) radius_type::covalent_empirical (C++ enumerator) radius_type::double_bond (C++ enumerator) radius_type::empirical (C++ enumerator) radius_type::single_bond (C++ enumerator) radius_type::triple_bond (C++ enumerator) radius_type::type_count (C++ enumerator) radius_type::van_der_waals (C++ enumerator) replace_all (C++ function) RMSd (C++ function) row (C++ class) row::get (C++ function), [1] row::row (C++ function)

row_handle (C++ class) row_handle::assign (C++ function), [1], [2] row_handle::empty (C++ function) row_handle::get (C++ function), [1], [2], [3] row_handle::get_category (C++ function) row_handle::operator bool (C++ function) row_handle::operator!= (C++ function) row_handle::operator== (C++ function) row_handle::operator[] (C++ function), [1], [2], [3] row_handle::row_handle (C++ function) row_initializer (C++ class) row_initializer::row_initializer (C++ function), [1], [2] row_initializer::set_value (C++ function), [1] row_initializer::set_value_if_empty (C++ function), [1]

S

sac_parser (C++ class) sac_parser::CharTraitsMask (C++ enum) sac_parser::CharTraitsMask::kAnyPrintMask (C++ enumerator) sac_parser::CharTraitsMask::kNonBlankMask (C++ enumerator) sac_parser::CharTraitsMask::kOrdinaryMask (C++ enumerator) sac_parser::CharTraitsMask::kTextLeadMask (C++ enumerator) sac_parser::index_datablocks (C++ function) sac_parser::is_any_print (C++ function) sac_parser::is_non_blank (C++ function) sac_parser::is_ordinary (C++ function) sac_parser::is_space (C++ function) sac_parser::is_text_lead (C++ function) sac_parser::is_unquoted_string (C++ function) sac_parser::is_white (C++ function) sac_parser::parse_file (C++ function) sac_parser::parse_single_datablock (C++ function), [1] selected_charconv (C++ type) space_group (C++ struct) space_group::Hall (C++ member) space_group::name (C++ member) space_group::nr (C++ member) space_group::xHM (C++ member) space_group_name (C++ enum) space_group_name::full (C++ enumerator) space_group_name::Hall (C++ enumerator) space_group_name::xHM (C++ enumerator) spacegroup (C++ class) spacegroup::get_name (C++ function) spacegroup::get_nr (C++ function) spacegroup::inverse (C++ function) spacegroup::operator() (C++ function) spacegroup::spacegroup (C++ function), [1], [2], [3] spherical (C++ function) spherical_dots (C++ class) spherical_dots::array_type (C++ type) spherical_dots::begin (C++ function) spherical_dots::end (C++ function) spherical_dots::instance (C++ function) spherical_dots::iterator (C++ type) spherical_dots::operator[] (C++ function) spherical_dots::P (C++ member) spherical_dots::size (C++ function) spherical_dots::spherical_dots (C++ function) spherical_dots::W (C++ member)

spherical_dots::weight (C++ function) split (C++ function) split_item_name (C++ function) split_tag_name (C++ function) starts_with (C++ function) STDERR_FILENO (C macro) STDOUT_FILENO (C macro) stereo_config_type (C++ enum) stereo_config_type::N (C++ enumerator) stereo_config_type::R (C++ enumerator) stereo_config_type::S (C++ enumerator) sym_op (C++ struct) sym_op::is_identity (C++ function) sym_op::operator bool (C++ function) sym_op::operator!= (C++ function) sym_op::operator== (C++ function) sym_op::string (C++ function) sym_op::sym_op (C++ function), [1] symmetric_matrix (C++ class) symmetric_matrix3x3 (C++ type) symmetric_matrix4x4 (C++ type) symmetric_matrix::dim_m (C++ function) symmetric_matrix::dim_n (C++ function) symmetric_matrix::operator() (C++ function), [1] symmetric_matrix::symmetric_matrix (C++ function) symmetric_matrix::value_type (C++ type) symmetric_matrix_fixed (C++ class) symmetric_matrix_fixed::dim_m (C++ function) symmetric_matrix_fixed::dim_n (C++ function) symmetric_matrix_fixed::operator() (C++ function), [1] symmetric_matrix_fixed::symmetric_matrix_fixed (C++ function) symmetric_matrix_fixed::value_type (C++ type) symop_data (C++ struct) symop_data::data (C++ function) symop_data::operator< (C++ function) symop_data::operator== (C++ function) symop_data::symop_data (C++ function) symop_data::unpack3 (C++ function) symop_data::unpack7 (C++ function) symop_datablock (C++ struct) symop_datablock::rotational_number (C++ function) symop_datablock::spacegroup (C++ function) symop_datablock::symop (C++ function) symop_datablock::symop_datablock (C++ function)

T

tie (C++ function) to_chars (C++ function), [1] to_lower (C++ function) to_lower_copy (C++ function) to_string (C++ function) to_upper (C++ function) tolower (C++ function) transformation (C++ class) transformation::inverse (C++ function) transformation::operator() (C++ function) transformation::operator* (C++ function) transformation::operator- (C++ function) transformation::transformation (C++ function), [1] trim (C++ function)

trim_copy (C++ function) trim_left (C++ function) trim_left_copy (C++ function) trim_right (C++ function) trim_right_copy (C++ function) type_validator (C++ struct) type_validator::compare (C++ function) type_validator::m_name (C++ member) type_validator::m_primitive_type (C++ member) type_validator::m_rx (C++ member) type_validator::operator< (C++ function) type_validator::operator= (C++ function), [1] type_validator::type_validator (C++ function), [1], [2], [3] type_validator::~type_validator (C++ function)

V

validation_category (C++ function) validation_category_impl (C++ class) validation_category_impl::equivalent (C++ function) validation_category_impl::message (C++ function) validation_category_impl::name (C++ function) validation_error (C++ enum) validation_error::empty_category (C++ enumerator) validation_error::empty_datablock (C++ enumerator) validation_error::empty_file (C++ enumerator) validation_error::incorrect_item_validator (C++ enumerator) validation_error::item_not_allowed_in_category (C++ enumerator) validation_error::missing_key_items (C++ enumerator) validation_error::missing_mandatory_items (C++ enumerator) validation_error::not_a_known_primitive_type (C++ enumerator) validation_error::not_valid_pdbx (C++ enumerator) validation_error::undefined_category (C++ enumerator) validation_error::unknown_item (C++ enumerator) validation_error::value_does_not_match_rx (C++ enumerator) validation_error::value_is_not_in_enumeration_list (C++ enumerator) validation_exception (C++ class)

validation_exception::validation_exception (C++ function), [1], [2], [3], [4], [5] validator (C++ class) validator::add_category_validator (C++ function) validator::add_link_validator (C++ function) validator::add_type_validator (C++ function) validator::get_links_for_child (C++ function) validator::get_links_for_parent (C++ function) validator::get_validator_for_category (C++ function) validator::get_validator_for_type (C++ function) validator::name (C++ function) validator::operator= (C++ function), [1] validator::report_error (C++ function), [1], [2], [3] validator::set_name (C++ function) validator::set_version (C++ function) validator::validator (C++ function), [1], [2] validator::version (C++ function) validator::~validator (C++ function) validator_factory (C++ class) validator_factory::construct_validator (C++ function) validator_factory::instance (C++ function) validator_factory::operator[] (C++ function)

W

word_wrap (C++ function)