API Reference

Page Hierarchy

• Deprecated List

Class Hierarchy

• Namespace cif

  • Namespace cif::colour

    • Namespace cif::colour::detail

      • Struct coloured_string_t

    • Enum colour_type

    • Enum style_type

  • Namespace cif::gzio

    • Template Class basic_ifstream

    • Template Class basic_igzip_streambuf

    • Template Class basic_istream

    • Template Class basic_ofstream

    • Template Class basic_ogzip_streambuf

    • Template Class basic_ostream

    • Template Class basic_streambuf

  • Namespace cif::mm

    • Class atom

    • Class branch

    • Class monomer

    • Class polymer

    • Class residue

    • Class structure

    • Class sugar

    • Enum EntityType

    • Enum StructureOpenOptions

  • Struct atom_type_info

  • Struct category_validator

  • Struct compound_atom

  • Struct compound_bond

  • Struct empty_type

  • Struct iless

  • Struct item_alias

  • Struct item_handle

  • Struct item_validator

  • Struct item_value

  • Struct key

  • Struct link_validator

  • Template Struct my_charconv

  • Template Struct point_type

  • Struct space_group

  • Struct sym_op

  • Struct symop_data

  • Struct symop_datablock

  • Struct type_validator

  • Class atom_type_traits

    • Struct atom_type_traits::SFData

  • Class category

    • Struct category::item_entry

    • Struct category::link

  • Class cell

  • Class compound

  • Class compound_factory

  • Class compound_source

  • Class condition

  • Template Class conditional_iterator_proxy

  • Class crystal

  • Class datablock

  • Class duplicate_key_error

  • Class file

  • Class fill_out_streambuf

  • Template Class identity_matrix

  • Class item

  • Template Class iterator_impl

  • Template Class iterator_impl< Category >

  • Template Class iterator_impl< Category, T >

  • Template Class iterator_proxy

  • Template Class matrix

  • Template Class matrix_cofactors

  • Template Class matrix_expression

  • Template Class matrix_fixed

  • Template Class matrix_matrix_multiplication

  • Template Class matrix_scalar_multiplication

  • Template Class matrix_subtraction

  • Class missing_key_error

  • Class multiple_results_error

  • Class parse_error

  • Class parser

  • Class progress_bar

  • Template Class quaternion_type

  • Class row

  • Class row_handle

  • Class row_initializer

  • Class sac_parser

  • Class spacegroup

  • Template Class spherical_dots

  • Template Class symmetric_matrix

  • Template Class symmetric_matrix_fixed

  • Class transformation

  • Class validation_category_impl

  • Class validation_exception

  • Class validator

  • Class validator_factory

  • Enum atom_type

  • Enum bond_type

  • Enum chars_format

  • Enum DDL_PrimitiveType

  • Enum ionic_radius_type

  • Enum radius_type

  • Enum space_group_name

  • Enum stereo_config_type

  • Enum validation_error

File Hierarchy

• Directory cif++

  • Directory pdb

    • File cif2pdb.hpp

    • File io.hpp

    • File pdb2cif.hpp

    • File tls.hpp

  • File atom_type.hpp

  • File category.hpp

  • File compound.hpp

  • File condition.hpp

  • File datablock.hpp

  • File dictionary_parser.hpp

  • File exports.hpp

  • File file.hpp

  • File format.hpp

  • File forward_decl.hpp

  • File gzio.hpp

  • File item.hpp

  • File iterator.hpp

  • File matrix.hpp

  • File model.hpp

  • File parser.hpp

  • File pdb.hpp

  • File point.hpp

  • File row.hpp

  • File symmetry.hpp

  • File text.hpp

  • File utilities.hpp

  • File validate.hpp

• File cif++.hpp

Full API

Namespaces

• Namespace cif
  • Namespaces
  • Classes
  • Enums
  • Functions
  • Typedefs
  • Variables

• Namespace cif::colour
  • Namespaces
  • Enums

• Namespace cif::colour::detail
  • Classes

• Namespace cif::detail

• Namespace cif::gzio
  • Classes
  • Typedefs
  • Variables

• Namespace cif::literals
  • Functions

• Namespace cif::mm
  • Classes
  • Enums
  • Functions

• Namespace cif::pdb
  • Functions

Classes and Structs

• Struct atom_type_info
  • Struct Documentation
    • atom_type_info
      • atom_type_info::type
      • atom_type_info::name
      • atom_type_info::symbol
      • atom_type_info::weight
      • atom_type_info::metal
      • atom_type_info::radii

• Struct atom_type_traits::SFData
  • Nested Relationships
  • Struct Documentation
    • SFData

• Struct category::item_entry
  • Nested Relationships
  • Struct Documentation
    • item_entry
      • item_entry::item_entry()
      • item_entry::m_name
      • item_entry::m_validator

• Struct category::link
  • Nested Relationships
  • Struct Documentation
    • link
      • link::link()
      • link::linked
      • link::v

• Struct category_validator
  • Struct Documentation
    • category_validator
      • category_validator::operator<()
      • category_validator::add_item_validator()
      • category_validator::get_validator_for_item()
      • category_validator::get_validator_for_aliased_item()
      • category_validator::m_name
      • category_validator::m_keys
      • category_validator::m_groups
      • category_validator::m_mandatory_items
      • category_validator::m_item_validators

• Struct coloured_string_t
  • Struct Documentation
    • coloured_string_t
      • coloured_string_t::coloured_string_t()
      • coloured_string_t::operator=()
      • coloured_string_t::operator<<()

• Struct compound_atom
  • Struct Documentation
    • compound_atom
      • compound_atom::get_location()
      • compound_atom::id
      • compound_atom::type_symbol
      • compound_atom::charge
      • compound_atom::aromatic
      • compound_atom::leaving_atom
      • compound_atom::stereo_config
      • compound_atom::x
      • compound_atom::y
      • compound_atom::z

• Struct compound_bond
  • Struct Documentation
    • compound_bond
      • compound_bond::atom_id
      • compound_bond::type
      • compound_bond::aromatic
      • compound_bond::stereo_config

• Struct empty_type
  • Struct Documentation
    • empty_type

• Struct iless
  • Struct Documentation
    • iless
      • iless::operator()()

• Struct item_alias
  • Struct Documentation
    • item_alias
      • item_alias::item_alias()
      • item_alias::item_alias()
      • item_alias::operator=()
      • item_alias::m_name
      • item_alias::m_dict
      • item_alias::m_vers

• Struct item_handle
  • Struct Documentation
    • item_handle
      • item_handle::operator=()
      • item_handle::operator=()
      • item_handle::operator=()
      • item_handle::os()
      • item_handle::swap()
      • item_handle::as()
      • item_handle::value_or()
      • item_handle::compare()
      • item_handle::operator==()
      • item_handle::operator!=()
      • item_handle::empty()
      • item_handle::operator bool()
      • item_handle::is_null()
      • item_handle::is_unknown()
      • item_handle::text()
      • item_handle::item_handle()
      • item_handle::swap()

• Struct item_validator
  • Struct Documentation
    • item_validator
      • item_validator::operator<()
      • item_validator::operator==()
      • item_validator::operator()()
      • item_validator::validate_value()
      • item_validator::m_item_name
      • item_validator::m_mandatory
      • item_validator::m_type
      • item_validator::m_enums
      • item_validator::m_default
      • item_validator::m_category
      • item_validator::m_aliases

• Struct item_value
  • Struct Documentation
    • item_value
      • item_value::item_value()
      • item_value::operator bool()
      • item_value::text()
      • item_value::m_length
      • item_value::m_local_data
      • item_value::m_data
      • item_value::m_storage
      • item_value::kBufferSize

• Struct key
  • Struct Documentation
    • key
      • key::key()
      • key::key()
      • key::key()
      • key::key()
      • key::operator=()
      • key::m_item_name

• Struct link_validator
  • Struct Documentation
    • link_validator
      • link_validator::m_link_group_id
      • link_validator::m_parent_category
      • link_validator::m_parent_keys
      • link_validator::m_child_category
      • link_validator::m_child_keys
      • link_validator::m_link_group_label

• Template Struct my_charconv
  • Struct Documentation
    • my_charconv
      • my_charconv::from_chars()
      • my_charconv::to_chars()

• Template Struct point_type
  • Struct Documentation
    • point_type
      • point_type::value_type
      • point_type::point_type()
      • point_type::point_type()
      • point_type::point_type()
      • point_type::point_type()
      • point_type::point_type()
      • point_type::operator=()
      • point_type::operator=()
      • point_type::get_x()
      • point_type::get_x()
      • point_type::set_x()
      • point_type::get_y()
      • point_type::get_y()
      • point_type::set_y()
      • point_type::get_z()
      • point_type::get_z()
      • point_type::set_z()
      • point_type::operator+=()
      • point_type::operator+=()
      • point_type::operator-=()
      • point_type::operator-=()
      • point_type::operator*=()
      • point_type::operator/=()
      • point_type::normalize()
      • point_type::rotate()
      • point_type::rotate()
      • point_type::operator clipper::Coord_orth()
      • point_type::operator==()
      • point_type::operator!=()
      • point_type::length_sq()
      • point_type::length()
      • point_type::m_x
      • point_type::m_y
      • point_type::m_z
      • point_type::operator+()
      • point_type::operator-()
      • point_type::operator-()
      • point_type::operator*()
      • point_type::operator*()
      • point_type::operator/()
      • point_type::operator<<()

• Struct space_group
  • Struct Documentation
    • space_group
      • space_group::name
      • space_group::xHM
      • space_group::Hall
      • space_group::nr

• Struct sym_op
  • Struct Documentation
    • sym_op
      • sym_op::sym_op()
      • sym_op::sym_op()
      • sym_op::is_identity()
      • sym_op::operator bool()
      • sym_op::string()
      • sym_op::operator==()
      • sym_op::operator!=()

• Struct symop_data
  • Struct Documentation
    • symop_data
      • symop_data::symop_data()
      • symop_data::operator==()
      • symop_data::operator<()
      • symop_data::unpack3()
      • symop_data::unpack7()
      • symop_data::data()

• Struct symop_datablock
  • Struct Documentation
    • symop_datablock
      • symop_datablock::symop_datablock()
      • symop_datablock::spacegroup()
      • symop_datablock::symop()
      • symop_datablock::rotational_number()

• Struct type_validator
  • Struct Documentation
    • type_validator
      • type_validator::type_validator()
      • type_validator::type_validator()
      • type_validator::type_validator()
      • type_validator::type_validator()
      • type_validator::operator=()
      • type_validator::operator=()
      • type_validator::~type_validator()
      • type_validator::operator<()
      • type_validator::compare()
      • type_validator::m_name
      • type_validator::m_primitive_type
      • type_validator::m_rx

• Class atom_type_traits
  • Nested Relationships
    • Nested Types
  • Class Documentation
    • atom_type_traits
      • atom_type_traits::atom_type_traits()
      • atom_type_traits::atom_type_traits()
      • atom_type_traits::type()
      • atom_type_traits::name()
      • atom_type_traits::symbol()
      • atom_type_traits::weight()
      • atom_type_traits::is_metal()
      • atom_type_traits::radius()
      • atom_type_traits::crystal_ionic_radius()
      • atom_type_traits::effective_ionic_radius()
      • atom_type_traits::ionic_radius()
      • atom_type_traits::wksf()
      • atom_type_traits::elsf()
      • atom_type_traits::has_sf()
      • atom_type_traits::is_element()
      • atom_type_traits::is_metal()
      • atom_type_traits::kWKSFVal
      • atom_type_traits::SFData

• Class category
  • Nested Relationships
    • Nested Types
  • Class Documentation
    • category
      • category::key_type
      • category::value_provider_type
      • category::category()
      • category::category()
      • category::category()
      • category::category()
      • category::operator=()
      • category::~category()
      • category::name()
      • category::key_fields()
      • category::key_items()
      • category::key_field_indices()
      • category::key_item_indices()
      • category::set_validator()
      • category::update_links()
      • category::get_validator()
      • category::get_cat_validator()
      • category::is_valid()
      • category::validate_links()
      • category::operator==()
      • category::operator!=()
      • category::front()
      • category::front()
      • category::back()
      • category::back()
      • category::begin()
      • category::end()
      • category::begin()
      • category::end()
      • category::cbegin()
      • category::cend()
      • category::size()
      • category::max_size()
      • category::empty()
      • category::operator[]()
      • category::operator[]()
      • category::rows()
      • category::rows()
      • category::find()
      • category::find()
      • category::find()
      • category::find()
      • category::find()
      • category::find()
      • category::find()
      • category::find()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find1()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_first()
      • category::find_max()
      • category::find_max()
      • category::find_min()
      • category::find_min()
      • category::exists()
      • category::contains()
      • category::count()
      • category::has_children()
      • category::has_parents()
      • category::get_children()
      • category::get_parents()
      • category::get_linked()
      • category::erase()
      • category::erase()
      • category::erase()
      • category::erase()
      • category::emplace()
      • category::emplace()
      • category::clear()
      • category::get_unique_id()
      • category::get_unique_id()
      • category::get_unique_value()
      • category::update_value()
      • category::update_value()
      • category::update_value()
      • category::update_value()
      • category::get_column_ix()
      • category::get_column_name()
      • category::add_column()
      • category::remove_column()
      • category::rename_column()
      • category::has_column()
      • category::get_columns()
      • category::get_item_ix()
      • category::get_item_name()
      • category::add_item()
      • category::remove_item()
      • category::rename_item()
      • category::has_item()
      • category::get_items()
      • category::sort()
      • category::reorder_by_index()
      • category::get_tag_order()
      • category::get_item_order()
      • category::write()
      • category::write()
      • category::swap()
      • category::operator<<()

• Class cell
  • Class Documentation
    • cell
      • cell::cell()
      • cell::cell()
      • cell::get_a()
      • cell::get_b()
      • cell::get_c()
      • cell::get_alpha()
      • cell::get_beta()
      • cell::get_gamma()
      • cell::get_volume()
      • cell::get_orthogonal_matrix()
      • cell::get_fractional_matrix()

• Class compound
  • Class Documentation
    • compound
      • compound::id()
      • compound::name()
      • compound::type()
      • compound::formula()
      • compound::formula_weight()
      • compound::formal_charge()
      • compound::atoms()
      • compound::bonds()
      • compound::get_atom_by_atom_id()
      • compound::atoms_bonded()
      • compound::bond_length()
      • compound::is_water()
      • compound::is_peptide()
      • compound::is_base()
      • compound::one_letter_code()
      • compound::parent_id()

• Class compound_factory
  • Class Documentation
    • compound_factory
      • compound_factory::set_default_dictionary()
      • compound_factory::push_dictionary()
      • compound_factory::push_dictionary()
      • compound_factory::pop_dictionary()
      • compound_factory::is_known_peptide()
      • compound_factory::is_known_base()
      • compound_factory::is_peptide()
      • compound_factory::is_base()
      • compound_factory::is_std_peptide()
      • compound_factory::is_std_base()
      • compound_factory::is_monomer()
      • compound_factory::is_std_monomer()
      • compound_factory::is_water()
      • compound_factory::create()
      • compound_factory::~compound_factory()
      • compound_factory::report_missing_compound()
      • compound_factory::init()
      • compound_factory::instance()
      • compound_factory::clear()

• Class compound_source
  • Class Documentation
    • compound_source
      • compound_source::compound_source()
      • compound_source::~compound_source()

• Class condition
  • Class Documentation
    • condition
      • condition::condition()
      • condition::condition()
      • condition::condition()
      • condition::condition()
      • condition::operator=()
      • condition::operator=()
      • condition::~condition()
      • condition::prepare()
      • condition::operator()()
      • condition::operator bool()
      • condition::empty()
      • condition::single()
      • condition::swap()
      • condition::operator||()
      • condition::operator&&()
      • condition::operator<<()

• Template Class conditional_iterator_proxy
  • Class Documentation
    • conditional_iterator_proxy
      • conditional_iterator_proxy::begin()
      • conditional_iterator_proxy::end()
      • conditional_iterator_proxy::empty()
      • conditional_iterator_proxy::operator bool()
      • conditional_iterator_proxy::size()
      • conditional_iterator_proxy::front()
      • conditional_iterator_proxy::category()
      • conditional_iterator_proxy::swap()

• Class crystal
  • Class Documentation
    • crystal
      • crystal::crystal()
      • crystal::crystal()
      • crystal::get_cell()
      • crystal::get_spacegroup()
      • crystal::symmetry_copy()
      • crystal::inverse_symmetry_copy()
      • crystal::closest_symmetry_copy()

• Class datablock
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • datablock
      • datablock::datablock()
      • datablock::datablock()
      • datablock::name()
      • datablock::set_name()
      • datablock::set_validator()
      • datablock::get_validator()
      • datablock::is_valid()
      • datablock::is_valid()
      • datablock::validate_links()
      • datablock::operator[]()
      • datablock::operator[]()
      • datablock::get()
      • datablock::get()
      • datablock::emplace()
      • datablock::get_tag_order()
      • datablock::get_item_order()
      • datablock::write()
      • datablock::write()
      • datablock::operator==()
      • datablock::swap_()
      • datablock::operator<<()

• Class duplicate_key_error
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • duplicate_key_error
      • duplicate_key_error::duplicate_key_error()

• Class file
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • file
      • file::file()
      • file::file()
      • file::file()
      • file::file()
      • file::set_validator()
      • file::get_validator()
      • file::is_valid()
      • file::is_valid()
      • file::validate_links()
      • file::load_dictionary()
      • file::load_dictionary()
      • file::contains()
      • file::front()
      • file::front()
      • file::operator[]()
      • file::operator[]()
      • file::emplace()
      • file::load()
      • file::load()
      • file::save()
      • file::save()
      • file::operator<<()

• Class fill_out_streambuf
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • fill_out_streambuf
      • fill_out_streambuf::fill_out_streambuf()
      • fill_out_streambuf::overflow()
      • fill_out_streambuf::get_upstream()
      • fill_out_streambuf::get_line_count()

• Template Class basic_ifstream
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • basic_ifstream
      • basic_ifstream::basic_ifstream()
      • basic_ifstream::basic_ifstream()
      • basic_ifstream::basic_ifstream()
      • basic_ifstream::basic_ifstream()
      • basic_ifstream::operator=()
      • basic_ifstream::open()
      • basic_ifstream::open()
      • basic_ifstream::open()
      • basic_ifstream::is_open()
      • basic_ifstream::close()
      • basic_ifstream::swap()

• Template Class basic_igzip_streambuf
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • basic_igzip_streambuf
      • basic_igzip_streambuf::basic_igzip_streambuf()
      • basic_igzip_streambuf::close()
      • basic_igzip_streambuf::init()

• Template Class basic_istream
  • Inheritance Relationships
    • Base Type
    • Derived Type
  • Class Documentation
    • basic_istream
      • basic_istream::basic_istream()
      • basic_istream::operator=()
      • basic_istream::basic_istream()
      • basic_istream::basic_istream()
      • basic_istream::init_z()
      • basic_istream::m_gziobuf

• Template Class basic_ofstream
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • basic_ofstream
      • basic_ofstream::basic_ofstream()
      • basic_ofstream::basic_ofstream()
      • basic_ofstream::basic_ofstream()
      • basic_ofstream::basic_ofstream()
      • basic_ofstream::operator=()
      • basic_ofstream::open()
      • basic_ofstream::open()
      • basic_ofstream::open()
      • basic_ofstream::is_open()
      • basic_ofstream::close()
      • basic_ofstream::swap()

• Template Class basic_ogzip_streambuf
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • basic_ogzip_streambuf
      • basic_ogzip_streambuf::operator=()
      • basic_ogzip_streambuf::~basic_ogzip_streambuf()
      • basic_ogzip_streambuf::close()
      • basic_ogzip_streambuf::init()

• Template Class basic_ostream
  • Inheritance Relationships
    • Base Type
    • Derived Type
  • Class Documentation
    • basic_ostream
      • basic_ostream::basic_ostream()
      • basic_ostream::operator=()
      • basic_ostream::basic_ostream()
      • basic_ostream::init_z()
      • basic_ostream::m_gziobuf

• Template Class basic_streambuf
  • Inheritance Relationships
    • Base Type
    • Derived Types
  • Class Documentation
    • basic_streambuf
      • basic_streambuf::set_upstream()
      • basic_streambuf::m_upstream

• Template Class identity_matrix
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • identity_matrix
      • identity_matrix::value_type
      • identity_matrix::identity_matrix()
      • identity_matrix::dim_m()
      • identity_matrix::dim_n()
      • identity_matrix::operator()()

• Class item
  • Class Documentation
    • item
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::item()
      • item::name()
      • item::value()
      • item::value()
      • item::value()
      • item::empty()
      • item::is_null()
      • item::is_unknown()
      • item::length()
      • item::get()

• Template Class iterator_impl
  • Class Documentation
    • iterator_impl
      • iterator_impl::N

• Template Class iterator_impl< Category >
  • Class Documentation
    • iterator_impl

• Template Class iterator_impl< Category, T >
  • Class Documentation
    • iterator_impl

• Template Class iterator_proxy
  • Class Documentation
    • iterator_proxy
      • iterator_proxy::begin()
      • iterator_proxy::end()
      • iterator_proxy::empty()
      • iterator_proxy::operator bool()
      • iterator_proxy::size()
      • iterator_proxy::category()
      • iterator_proxy::swap()

• Template Class matrix
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix
      • matrix::value_type
      • matrix::matrix()
      • matrix::matrix()
      • matrix::dim_m()
      • matrix::dim_n()
      • matrix::operator()()
      • matrix::operator()()

• Template Class matrix_cofactors
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix_cofactors
      • matrix_cofactors::matrix_cofactors()
      • matrix_cofactors::dim_m()
      • matrix_cofactors::dim_n()
      • matrix_cofactors::operator()()

• Template Class matrix_expression
  • Inheritance Relationships
    • Derived Types
  • Class Documentation
    • matrix_expression
      • matrix_expression::dim_m()
      • matrix_expression::dim_n()
      • matrix_expression::empty()
      • matrix_expression::operator()()
      • matrix_expression::operator()()
      • matrix_expression::swap_row()
      • matrix_expression::swap_col()
      • matrix_expression::operator<<()

• Template Class matrix_fixed
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix_fixed
      • matrix_fixed::value_type
      • matrix_fixed::matrix_fixed()
      • matrix_fixed::matrix_fixed()
      • matrix_fixed::matrix_fixed()
      • matrix_fixed::fill()
      • matrix_fixed::dim_m()
      • matrix_fixed::dim_n()
      • matrix_fixed::operator()()
      • matrix_fixed::operator()()
      • matrix_fixed::kSize

• Template Class matrix_matrix_multiplication
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix_matrix_multiplication
      • matrix_matrix_multiplication::matrix_matrix_multiplication()
      • matrix_matrix_multiplication::dim_m()
      • matrix_matrix_multiplication::dim_n()
      • matrix_matrix_multiplication::operator()()

• Template Class matrix_scalar_multiplication
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix_scalar_multiplication
      • matrix_scalar_multiplication::value_type
      • matrix_scalar_multiplication::matrix_scalar_multiplication()
      • matrix_scalar_multiplication::dim_m()
      • matrix_scalar_multiplication::dim_n()
      • matrix_scalar_multiplication::operator()()

• Template Class matrix_subtraction
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • matrix_subtraction
      • matrix_subtraction::matrix_subtraction()
      • matrix_subtraction::dim_m()
      • matrix_subtraction::dim_n()
      • matrix_subtraction::operator()()

• Class missing_key_error
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • missing_key_error
      • missing_key_error::missing_key_error()
      • missing_key_error::get_key()

• Class atom
  • Class Documentation
    • atom
      • atom::atom()
      • atom::atom()
      • atom::atom()
      • atom::atom()
      • atom::atom()
      • atom::operator bool()
      • atom::operator=()
      • atom::get_property()
      • atom::get_property_int()
      • atom::get_property_float()
      • atom::set_property()
      • atom::set_property()
      • atom::id()
      • atom::get_type()
      • atom::get_location()
      • atom::set_location()
      • atom::translate()
      • atom::rotate()
      • atom::rotate()
      • atom::translate_and_rotate()
      • atom::translate_rotate_and_translate()
      • atom::get_row()
      • atom::get_row_aniso()
      • atom::is_symmetry_copy()
      • atom::symmetry()
      • atom::is_water()
      • atom::get_charge()
      • atom::get_occupancy()
      • atom::get_label_asym_id()
      • atom::get_label_seq_id()
      • atom::get_label_atom_id()
      • atom::get_label_alt_id()
      • atom::get_label_comp_id()
      • atom::get_label_entity_id()
      • atom::get_auth_asym_id()
      • atom::get_auth_seq_id()
      • atom::get_auth_atom_id()
      • atom::get_auth_alt_id()
      • atom::get_auth_comp_id()
      • atom::get_pdb_ins_code()
      • atom::is_alternate()
      • atom::pdb_id()
      • atom::operator==()
      • atom::operator!=()
      • atom::is_back_bone()
      • atom::swap()
      • atom::compare()
      • atom::operator<()
      • atom::operator<<()

• Class branch
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • branch
      • branch::branch()
      • branch::branch()
      • branch::operator=()
      • branch::link_atoms()
      • branch::name()
      • branch::weight()
      • branch::get_asym_id()
      • branch::get_entity_id()
      • branch::get_structure()
      • branch::get_structure()
      • branch::get_sugar_by_num()
      • branch::get_sugar_by_num()
      • branch::construct_sugar()
      • branch::construct_sugar()

• Class monomer
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • monomer
      • monomer::monomer()
      • monomer::operator=()
      • monomer::monomer()
      • monomer::operator=()
      • monomer::monomer()
      • monomer::is_first_in_chain()
      • monomer::is_last_in_chain()
      • monomer::has_alpha()
      • monomer::has_kappa()
      • monomer::phi()
      • monomer::psi()
      • monomer::alpha()
      • monomer::kappa()
      • monomer::tco()
      • monomer::omega()
      • monomer::nr_of_chis()
      • monomer::chi()
      • monomer::is_cis()
      • monomer::is_complete()
      • monomer::has_alternate_backbone_atoms()
      • monomer::CAlpha()
      • monomer::C()
      • monomer::N()
      • monomer::O()
      • monomer::H()
      • monomer::is_bonded_to()
      • monomer::chiral_volume()
      • monomer::operator==()
      • monomer::create_new_atom()
      • monomer::are_bonded()
      • monomer::is_cis()
      • monomer::omega()

• Class polymer
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • polymer
      • polymer::polymer()
      • polymer::polymer()
      • polymer::operator=()
      • polymer::get_structure()
      • polymer::get_asym_id()
      • polymer::get_auth_asym_id()
      • polymer::get_entity_id()

• Class residue
  • Inheritance Relationships
    • Derived Types
  • Class Documentation
    • residue
      • residue::residue()
      • residue::residue()
      • residue::get_entity_id()
      • residue::entity_type()
      • residue::get_asym_id()
      • residue::get_seq_id()
      • residue::get_auth_asym_id()
      • residue::get_auth_seq_id()
      • residue::get_pdb_ins_code()
      • residue::get_compound_id()
      • residue::set_compound_id()
      • residue::get_structure()
      • residue::atoms()
      • residue::atoms()
      • residue::add_atom()
      • residue::unique_atoms()
      • residue::get_atom_by_atom_id()
      • residue::get_atoms_by_id()
      • residue::is_entity()
      • residue::is_water()
      • residue::has_alternate_atoms()
      • residue::has_alternate_atoms_for()
      • residue::get_alternate_ids()
      • residue::get_atom_ids()
      • residue::center_and_radius()
      • residue::operator==()
      • residue::create_new_atom()
      • residue::operator<<()

• Class structure
  • Class Documentation
    • structure
      • structure::structure()
      • structure::structure()
      • structure::structure()
      • structure::operator=()
      • structure::~structure()
      • structure::get_model_nr()
      • structure::atoms()
      • structure::get_entity_type_for_entity_id()
      • structure::get_entity_type_for_asym_id()
      • structure::polymers()
      • structure::polymers()
      • structure::get_polymer_by_asym_id()
      • structure::get_polymer_by_asym_id()
      • structure::branches()
      • structure::branches()
      • structure::get_branch_by_asym_id()
      • structure::get_branch_by_asym_id()
      • structure::non_polymers()
      • structure::has_atom_id()
      • structure::get_atom_by_id()
      • structure::get_atom_by_label()
      • structure::get_atom_by_position()
      • structure::get_atom_by_position_and_type()
      • structure::create_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::get_residue()
      • structure::remove_atom()
      • structure::swap_atoms()
      • structure::move_atom()
      • structure::change_residue()
      • structure::remove_residue()
      • structure::create_non_poly_entity()
      • structure::create_non_poly()
      • structure::create_non_poly()
      • structure::create_water()
      • structure::create_branch()
      • structure::remove_branch()
      • structure::remove_residue()
      • structure::translate()
      • structure::rotate()
      • structure::translate_and_rotate()
      • structure::translate_rotate_and_translate()
      • structure::cleanup_empty_categories()
      • structure::get_category()
      • structure::get_datablock()
      • structure::validate_atoms()
      • structure::emplace_atom()
      • structure::emplace_atom()
      • structure::reorder_atoms()

• Class sugar
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • sugar
      • sugar::sugar()
      • sugar::num()
      • sugar::name()
      • sugar::get_link()
      • sugar::set_link()
      • sugar::get_link_nr()
      • sugar::add_atom()

• Class multiple_results_error
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • multiple_results_error
      • multiple_results_error::multiple_results_error()

• Class parse_error
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • parse_error
      • parse_error::parse_error()

• Class parser
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • parser
      • parser::parser()

• Class progress_bar
  • Class Documentation
    • progress_bar
      • progress_bar::progress_bar()
      • progress_bar::~progress_bar()
      • progress_bar::consumed()
      • progress_bar::progress()
      • progress_bar::message()

• Template Class quaternion_type
  • Class Documentation
    • quaternion_type
      • quaternion_type::value_type
      • quaternion_type::quaternion_type()
      • quaternion_type::quaternion_type()
      • quaternion_type::quaternion_type()
      • quaternion_type::quaternion_type()
      • quaternion_type::quaternion_type()
      • quaternion_type::real()
      • quaternion_type::unreal()
      • quaternion_type::swap()
      • quaternion_type::operator=()
      • quaternion_type::operator=()
      • quaternion_type::operator=()
      • quaternion_type::operator=()
      • quaternion_type::operator+=()
      • quaternion_type::operator+=()
      • quaternion_type::operator+=()
      • quaternion_type::operator-=()
      • quaternion_type::operator-=()
      • quaternion_type::operator-=()
      • quaternion_type::operator*=()
      • quaternion_type::operator*=()
      • quaternion_type::operator*=()
      • quaternion_type::operator/=()
      • quaternion_type::operator/=()
      • quaternion_type::operator/=()
      • quaternion_type::get_a()
      • quaternion_type::get_b()
      • quaternion_type::get_c()
      • quaternion_type::get_d()
      • quaternion_type::operator==()
      • quaternion_type::operator!=()
      • quaternion_type::operator bool()
      • quaternion_type::operator*()
      • quaternion_type::normalize()
      • quaternion_type::conj()

• Class row
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • row
      • row::row()
      • row::get()
      • row::get()

• Class row_handle
  • Class Documentation
    • row_handle
      • row_handle::row_handle()
      • row_handle::get_category()
      • row_handle::empty()
      • row_handle::operator bool()
      • row_handle::operator[]()
      • row_handle::operator[]()
      • row_handle::operator[]()
      • row_handle::operator[]()
      • row_handle::get()
      • row_handle::get()
      • row_handle::get()
      • row_handle::get()
      • row_handle::assign()
      • row_handle::assign()
      • row_handle::assign()
      • row_handle::operator==()
      • row_handle::operator!=()

• Class row_initializer
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • row_initializer
      • row_initializer::row_initializer()
      • row_initializer::row_initializer()
      • row_initializer::row_initializer()
      • row_initializer::set_value()
      • row_initializer::set_value()
      • row_initializer::set_value_if_empty()
      • row_initializer::set_value_if_empty()

• Class sac_parser
  • Inheritance Relationships
    • Derived Type
  • Class Documentation
    • sac_parser
      • sac_parser::CharTraitsMask
        • sac_parser::CharTraitsMask::kOrdinaryMask
        • sac_parser::CharTraitsMask::kNonBlankMask
        • sac_parser::CharTraitsMask::kTextLeadMask
        • sac_parser::CharTraitsMask::kAnyPrintMask
      • sac_parser::parse_single_datablock()
      • sac_parser::index_datablocks()
      • sac_parser::parse_single_datablock()
      • sac_parser::parse_file()
      • sac_parser::is_space()
      • sac_parser::is_white()
      • sac_parser::is_ordinary()
      • sac_parser::is_non_blank()
      • sac_parser::is_text_lead()
      • sac_parser::is_any_print()
      • sac_parser::is_unquoted_string()

• Class spacegroup
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • spacegroup
      • spacegroup::spacegroup()
      • spacegroup::spacegroup()
      • spacegroup::spacegroup()
      • spacegroup::spacegroup()
      • spacegroup::get_nr()
      • spacegroup::get_name()
      • spacegroup::operator()()
      • spacegroup::inverse()

• Template Class spherical_dots
  • Class Documentation
    • spherical_dots
      • spherical_dots::array_type
      • spherical_dots::iterator
      • spherical_dots::size()
      • spherical_dots::operator[]()
      • spherical_dots::begin()
      • spherical_dots::end()
      • spherical_dots::weight()
      • spherical_dots::spherical_dots()
      • spherical_dots::instance()
      • spherical_dots::P
      • spherical_dots::W

• Template Class symmetric_matrix
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • symmetric_matrix
      • symmetric_matrix::value_type
      • symmetric_matrix::symmetric_matrix()
      • symmetric_matrix::dim_m()
      • symmetric_matrix::dim_n()
      • symmetric_matrix::operator()()
      • symmetric_matrix::operator()()

• Template Class symmetric_matrix_fixed
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • symmetric_matrix_fixed
      • symmetric_matrix_fixed::value_type
      • symmetric_matrix_fixed::symmetric_matrix_fixed()
      • symmetric_matrix_fixed::dim_m()
      • symmetric_matrix_fixed::dim_n()
      • symmetric_matrix_fixed::operator()()
      • symmetric_matrix_fixed::operator()()

• Class transformation
  • Class Documentation
    • transformation
      • transformation::transformation()
      • transformation::transformation()
      • transformation::operator()()
      • transformation::operator-()
      • transformation::operator*()
      • transformation::inverse()

• Class validation_category_impl
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • validation_category_impl
      • validation_category_impl::name()
      • validation_category_impl::message()
      • validation_category_impl::equivalent()

• Class validation_exception
  • Inheritance Relationships
    • Base Type
  • Class Documentation
    • validation_exception
      • validation_exception::validation_exception()
      • validation_exception::validation_exception()
      • validation_exception::validation_exception()
      • validation_exception::validation_exception()
      • validation_exception::validation_exception()
      • validation_exception::validation_exception()

• Class validator
  • Class Documentation
    • validator
      • validator::validator()
      • validator::~validator()
      • validator::validator()
      • validator::operator=()
      • validator::validator()
      • validator::operator=()
      • validator::add_type_validator()
      • validator::get_validator_for_type()
      • validator::add_category_validator()
      • validator::get_validator_for_category()
      • validator::add_link_validator()
      • validator::get_links_for_parent()
      • validator::get_links_for_child()
      • validator::report_error()
      • validator::report_error()
      • validator::report_error()
      • validator::report_error()
      • validator::name()
      • validator::set_name()
      • validator::version()
      • validator::set_version()

• Class validator_factory
  • Class Documentation
    • validator_factory
      • validator_factory::operator[]()
      • validator_factory::construct_validator()
      • validator_factory::instance()

Enums

• Enum atom_type
  • Enum Documentation
    • atom_type
      • atom_type::Nn
      • atom_type::H
      • atom_type::He
      • atom_type::Li
      • atom_type::Be
      • atom_type::B
      • atom_type::C
      • atom_type::N
      • atom_type::O
      • atom_type::F
      • atom_type::Ne
      • atom_type::Na
      • atom_type::Mg
      • atom_type::Al
      • atom_type::Si
      • atom_type::P
      • atom_type::S
      • atom_type::Cl
      • atom_type::Ar
      • atom_type::K
      • atom_type::Ca
      • atom_type::Sc
      • atom_type::Ti
      • atom_type::V
      • atom_type::Cr
      • atom_type::Mn
      • atom_type::Fe
      • atom_type::Co
      • atom_type::Ni
      • atom_type::Cu
      • atom_type::Zn
      • atom_type::Ga
      • atom_type::Ge
      • atom_type::As
      • atom_type::Se
      • atom_type::Br
      • atom_type::Kr
      • atom_type::Rb
      • atom_type::Sr
      • atom_type::Y
      • atom_type::Zr
      • atom_type::Nb
      • atom_type::Mo
      • atom_type::Tc
      • atom_type::Ru
      • atom_type::Rh
      • atom_type::Pd
      • atom_type::Ag
      • atom_type::Cd
      • atom_type::In
      • atom_type::Sn
      • atom_type::Sb
      • atom_type::Te
      • atom_type::I
      • atom_type::Xe
      • atom_type::Cs
      • atom_type::Ba
      • atom_type::La
      • atom_type::Hf
      • atom_type::Ta
      • atom_type::W
      • atom_type::Re
      • atom_type::Os
      • atom_type::Ir
      • atom_type::Pt
      • atom_type::Au
      • atom_type::Hg
      • atom_type::Tl
      • atom_type::Pb
      • atom_type::Bi
      • atom_type::Po
      • atom_type::At
      • atom_type::Rn
      • atom_type::Fr
      • atom_type::Ra
      • atom_type::Ac
      • atom_type::Rf
      • atom_type::Db
      • atom_type::Sg
      • atom_type::Bh
      • atom_type::Hs
      • atom_type::Mt
      • atom_type::Ds
      • atom_type::Rg
      • atom_type::Cn
      • atom_type::Nh
      • atom_type::Fl
      • atom_type::Mc
      • atom_type::Lv
      • atom_type::Ts
      • atom_type::Og
      • atom_type::Ce
      • atom_type::Pr
      • atom_type::Nd
      • atom_type::Pm
      • atom_type::Sm
      • atom_type::Eu
      • atom_type::Gd
      • atom_type::Tb
      • atom_type::Dy
      • atom_type::Ho
      • atom_type::Er
      • atom_type::Tm
      • atom_type::Yb
      • atom_type::Lu
      • atom_type::Th
      • atom_type::Pa
      • atom_type::U
      • atom_type::Np
      • atom_type::Pu
      • atom_type::Am
      • atom_type::Cm
      • atom_type::Bk
      • atom_type::Cf
      • atom_type::Es
      • atom_type::Fm
      • atom_type::Md
      • atom_type::No
      • atom_type::Lr
      • atom_type::D

• Enum bond_type
  • Enum Documentation
    • bond_type
      • bond_type::sing
      • bond_type::doub
      • bond_type::trip
      • bond_type::quad
      • bond_type::arom
      • bond_type::poly
      • bond_type::delo
      • bond_type::pi

• Enum chars_format
  • Enum Documentation
    • chars_format
      • chars_format::scientific
      • chars_format::fixed
      • chars_format::general

• Enum colour_type
  • Enum Documentation
    • colour_type
      • colour_type::black
      • colour_type::red
      • colour_type::green
      • colour_type::yellow
      • colour_type::blue
      • colour_type::magenta
      • colour_type::cyan
      • colour_type::white
      • colour_type::none

• Enum style_type
  • Enum Documentation
    • style_type
      • style_type::bold
      • style_type::underlined
      • style_type::blink
      • style_type::inverse
      • style_type::regular

• Enum DDL_PrimitiveType
  • Enum Documentation
    • DDL_PrimitiveType
      • DDL_PrimitiveType::Char
      • DDL_PrimitiveType::UChar
      • DDL_PrimitiveType::Numb

• Enum ionic_radius_type
  • Enum Documentation
    • ionic_radius_type
      • ionic_radius_type::effective
      • ionic_radius_type::crystal

• Enum EntityType
  • Enum Documentation
    • EntityType
      • EntityType::Polymer
      • EntityType::NonPolymer
      • EntityType::Macrolide
      • EntityType::Water
      • EntityType::Branched

• Enum StructureOpenOptions
  • Enum Documentation
    • StructureOpenOptions
      • StructureOpenOptions::SkipHydrogen

• Enum radius_type
  • Enum Documentation
    • radius_type
      • radius_type::calculated
      • radius_type::empirical
      • radius_type::covalent_empirical
      • radius_type::single_bond
      • radius_type::double_bond
      • radius_type::triple_bond
      • radius_type::van_der_waals
      • radius_type::type_count

• Enum space_group_name
  • Enum Documentation
    • space_group_name
      • space_group_name::full
      • space_group_name::xHM
      • space_group_name::Hall

• Enum stereo_config_type
  • Enum Documentation
    • stereo_config_type
      • stereo_config_type::N
      • stereo_config_type::R
      • stereo_config_type::S

• Enum validation_error
  • Enum Documentation
    • validation_error
      • validation_error::value_does_not_match_rx
      • validation_error::value_is_not_in_enumeration_list
      • validation_error::not_a_known_primitive_type
      • validation_error::undefined_category
      • validation_error::unknown_item
      • validation_error::incorrect_item_validator
      • validation_error::missing_mandatory_items
      • validation_error::missing_key_items
      • validation_error::item_not_allowed_in_category
      • validation_error::empty_file
      • validation_error::empty_datablock
      • validation_error::empty_category
      • validation_error::not_valid_pdbx

Functions

• Function cif::add_data_directory
  • Function Documentation
    • add_data_directory()

• Function cif::add_file_resource
  • Function Documentation
    • add_file_resource()

• Function cif::align_points
  • Function Documentation
    • align_points()

• Function cif::all
  • Function Documentation
    • all()

• Template Function cif::angle
  • Function Documentation
    • angle()

• Function cif::bond_type_to_string
  • Function Documentation
    • bond_type_to_string()

• Function cif::center_points
  • Function Documentation
    • center_points()

• Function cif::centroid
  • Function Documentation
    • centroid()

• Function cif::cif_id_for_number
  • Function Documentation
    • cif_id_for_number()

• Template Function cif::coloured
  • Function Documentation
    • coloured()

• Function cif::construct_for_dihedral_angle
  • Function Documentation
    • construct_for_dihedral_angle()

• Function cif::construct_from_angle_axis
  • Function Documentation
    • construct_from_angle_axis()

• Function cif::contains
  • Function Documentation
    • contains()

• Template Function cif::cosinus_angle
  • Function Documentation
    • cosinus_angle()

• Template Function cif::cross_product
  • Function Documentation
    • cross_product()

• Template Function cif::determinant(const M&)
  • Function Documentation
    • determinant()

• Template Function cif::determinant(const matrix3x3<F>&)
  • Function Documentation
    • determinant()

• Template Function cif::dihedral_angle
  • Function Documentation
    • dihedral_angle()

• Template Function cif::distance
  • Function Documentation
    • distance()

• Template Function cif::distance_point_to_line
  • Function Documentation
    • distance_point_to_line()

• Template Function cif::distance_squared
  • Function Documentation
    • distance_squared()

• Template Function cif::dot_product
  • Function Documentation
    • dot_product()

• Function cif::ends_with
  • Function Documentation
    • ends_with()

• Function cif::extend_dictionary
  • Function Documentation
    • extend_dictionary()

• Template Function cif::format
  • Function Documentation
    • format()

• Function cif::fractional
  • Function Documentation
    • fractional()

• Template Function cif::from_chars
  • Function Documentation
    • from_chars()

• Function cif::get_category_fields
  • Function Documentation
    • get_category_fields()

• Function cif::get_category_items
  • Function Documentation
    • get_category_items()

• Function cif::get_item_ix
  • Function Documentation
    • get_item_ix()

• Function cif::get_space_group_number(const datablock&)
  • Function Documentation
    • get_space_group_number()

• Function cif::get_space_group_number(std::string_view)
  • Function Documentation
    • get_space_group_number()

• Function cif::get_space_group_number(std::string_view, space_group_name)
  • Function Documentation
    • get_space_group_number()

• Function cif::get_terminal_width
  • Function Documentation
    • get_terminal_width()

• Function cif::get_version_nr
  • Function Documentation
    • get_version_nr()

• Function cif::icompare(std::string_view, std::string_view)
  • Function Documentation
    • icompare()

• Function cif::icompare(const char *, const char *)
  • Function Documentation
    • icompare()

• Function cif::icontains
  • Function Documentation
    • icontains()

• Function cif::iequals(std::string_view, std::string_view)
  • Function Documentation
    • iequals()

• Function cif::iequals(const char *, const char *)
  • Function Documentation
    • iequals()

• Template Function cif::inverse(const M&)
  • Function Documentation
    • inverse()

• Template Function cif::inverse(const matrix3x3<F>&)
  • Function Documentation
    • inverse()

• Function cif::is_item_type_uchar
  • Function Documentation
    • is_item_type_uchar()

• Template Function cif::join(IterType, IterType, std::string_view)
  • Function Documentation
    • join()

• Template Function cif::join(const V&, std::string_view)
  • Function Documentation
    • join()

• Function cif::list_data_directories
  • Function Documentation
    • list_data_directories()

• Function cif::list_file_resources
  • Function Documentation
    • list_file_resources()

• Function cif::literals::operator””_key
  • Function Documentation
    • operator""_key()

• Function cif::literals::operator””_symop
  • Function Documentation
    • operator""_symop()

• Function cif::load_resource
  • Function Documentation
    • load_resource()

• Function cif::make_error_code
  • Function Documentation
    • make_error_code()

• Function cif::make_error_condition
  • Function Documentation
    • make_error_condition()

• Function cif::map_to_primitive_type(std::string_view)
  • Function Documentation
    • map_to_primitive_type()

• Function cif::map_to_primitive_type(std::string_view, std::error_code&)
  • Function Documentation
    • map_to_primitive_type()

• Function cif::mm::distance
  • Function Documentation
    • distance()

• Function cif::mm::distance_squared
  • Function Documentation
    • distance_squared()

• Function cif::mm::operator&
  • Function Documentation
    • operator&()

• Function cif::mm::swap
  • Function Documentation
    • swap()

• Function cif::nudge
  • Function Documentation
    • nudge()

• Function cif::operator and
  • Function Documentation
    • operator and()

• Function cif::operator not
  • Function Documentation
    • operator not()

• Function cif::operator or
  • Function Documentation
    • operator or()

• Template Function cif::operator!=(const key&, const T&)
  • Function Documentation
    • operator!=()

• Function cif::operator!=(const key&, std::string_view)
  • Function Documentation
    • operator!=()

• Function cif::operator!=(const key&, const empty_type&)
  • Function Documentation
    • operator!=()

• Template Function cif::operator!=(const key&, const std::optional<T>&)
  • Function Documentation
    • operator!=()

• Template Function cif::operator*(const matrix_expression<M1>&, T)
  • Function Documentation
    • operator*()

• Template Function cif::operator*(const matrix_expression<M1>&, const matrix_expression<M2>&)
  • Function Documentation
    • operator*()

• Function cif::operator*(const matrix3x3<float>&, const point&)
  • Function Documentation
    • operator*()

• Template Function cif::operator-
  • Function Documentation
    • operator-()

• Template Function cif::operator<(const key&, const T&)
  • Function Documentation
    • operator<()

• Function cif::operator<(const key&, std::string_view)
  • Function Documentation
    • operator<()

• Template Function cif::operator<=(const key&, const T&)
  • Function Documentation
    • operator<=()

• Function cif::operator<=(const key&, std::string_view)
  • Function Documentation
    • operator<=()

• Template Function cif::operator==(const key&, const T&)
  • Function Documentation
    • operator==()

• Function cif::operator==(const key&, std::string_view)
  • Function Documentation
    • operator==()

• Template Function cif::operator==(const key&, T)
  • Function Documentation
    • operator==()

• Function cif::operator==(const key&, const std::regex&)
  • Function Documentation
    • operator==()

• Function cif::operator==(const key&, const empty_type&)
  • Function Documentation
    • operator==()

• Template Function cif::operator==(const key&, const std::optional<T>&)
  • Function Documentation
    • operator==()

• Template Function cif::operator==(const any_type&, const T&)
  • Function Documentation
    • operator==()

• Function cif::operator==(const any_type&, const std::regex&)
  • Function Documentation
    • operator==()

• Template Function cif::operator>(const key&, const T&)
  • Function Documentation
    • operator>()

• Function cif::operator>(const key&, std::string_view)
  • Function Documentation
    • operator>()

• Template Function cif::operator>=(const key&, const T&)
  • Function Documentation
    • operator>=()

• Function cif::operator>=(const key&, std::string_view)
  • Function Documentation
    • operator>=()

• Function cif::orthogonal
  • Function Documentation
    • orthogonal()

• Function cif::parse_bond_type_from_string
  • Function Documentation
    • parse_bond_type_from_string()

• Function cif::parse_dictionary
  • Function Documentation
    • parse_dictionary()

• Function cif::parse_stereo_config_from_string
  • Function Documentation
    • parse_stereo_config_from_string()

• Function cif::pdb::get_AUTHOR_line
  • Function Documentation
    • get_AUTHOR_line()

• Function cif::pdb::get_COMPND_line
  • Function Documentation
    • get_COMPND_line()

• Function cif::pdb::get_HEADER_line
  • Function Documentation
    • get_HEADER_line()

• Function cif::pdb::get_SOURCE_line
  • Function Documentation
    • get_SOURCE_line()

• Function cif::pdb::is_valid_pdbx_file(const file&, std::string_view)
  • Function Documentation
    • is_valid_pdbx_file()

• Function cif::pdb::is_valid_pdbx_file(const file&, std::error_code&)
  • Function Documentation
    • is_valid_pdbx_file()

• Function cif::pdb::is_valid_pdbx_file(const file&, std::string_view, std::error_code&)
  • Function Documentation
    • is_valid_pdbx_file()

• Function cif::pdb::read(const std::filesystem::path&)
  • Function Documentation
    • read()

• Function cif::pdb::read(std::istream&)
  • Function Documentation
    • read()

• Function cif::pdb::read_pdb_file
  • Function Documentation
    • read_pdb_file()

• Function cif::pdb::reconstruct_pdbx
  • Function Documentation
    • reconstruct_pdbx()

• Function cif::pdb::write(std::ostream&, const datablock&)
  • Function Documentation
    • write()

• Function cif::pdb::write(std::ostream&, const file&)
  • Function Documentation
    • write()

• Function cif::pdb::write(const std::filesystem::path&, const datablock&)
  • Function Documentation
    • write()

• Function cif::pdb::write(const std::filesystem::path&, const file&)
  • Function Documentation
    • write()

• Function cif::quaternion_to_angle_axis
  • Function Documentation
    • quaternion_to_angle_axis()

• Function cif::replace_all
  • Function Documentation
    • replace_all()

• Function cif::RMSd
  • Function Documentation
    • RMSd()

• Template Function cif::spherical
  • Function Documentation
    • spherical()

• Template Function cif::split
  • Function Documentation
    • split()

• Function cif::split_item_name
  • Function Documentation
    • split_item_name()

• Function cif::split_tag_name
  • Function Documentation
    • split_tag_name()

• Function cif::starts_with
  • Function Documentation
    • starts_with()

• Template Function cif::tie
  • Function Documentation
    • tie()

• Template Function cif::to_chars(char *, char *, FloatType&, chars_format)
  • Function Documentation
    • to_chars()

• Template Function cif::to_chars(char *, char *, FloatType&, chars_format, int)
  • Function Documentation
    • to_chars()

• Function cif::to_lower
  • Function Documentation
    • to_lower()

• Function cif::to_lower_copy
  • Function Documentation
    • to_lower_copy()

• Function cif::to_string
  • Function Documentation
    • to_string()

• Function cif::to_upper
  • Function Documentation
    • to_upper()

• Function cif::tolower
  • Function Documentation
    • tolower()

• Function cif::trim
  • Function Documentation
    • trim()

• Function cif::trim_copy
  • Function Documentation
    • trim_copy()

• Function cif::trim_left
  • Function Documentation
    • trim_left()

• Function cif::trim_left_copy
  • Function Documentation
    • trim_left_copy()

• Function cif::trim_right
  • Function Documentation
    • trim_right()

• Function cif::trim_right_copy
  • Function Documentation
    • trim_right_copy()

• Function cif::validation_category
  • Function Documentation
    • validation_category()

• Function cif::word_wrap
  • Function Documentation
    • word_wrap()

Variables

• Variable cif::any
  • Variable Documentation
    • any

• Variable cif::gzio::kDefaultBufferSize
  • Variable Documentation
    • kDefaultBufferSize

• Variable cif::kCharToLowerMap
  • Variable Documentation

• Variable cif::kKnownAtoms
  • Variable Documentation

• Variable cif::kNA
  • Variable Documentation
    • kNA

• Variable cif::kNrOfSpaceGroups
  • Variable Documentation

• Variable cif::kPI
  • Variable Documentation
    • kPI

• Variable cif::kRadiusTypeCount
  • Variable Documentation
    • kRadiusTypeCount

• Variable cif::kSpaceGroups
  • Variable Documentation

• Variable cif::kSymopNrTable
  • Variable Documentation

• Variable cif::kSymopNrTableSize
  • Variable Documentation

• Variable cif::null
  • Variable Documentation
    • null

• Variable cif::VERBOSE
  • Variable Documentation

Defines

• Define CIFPP_DEPRECATED
  • Define Documentation

• Define CIFPP_DEPRECATED_EXPORT
  • Define Documentation

• Define CIFPP_DEPRECATED_NO_EXPORT
  • Define Documentation

• Define CIFPP_NO_EXPORT
  • Define Documentation

• Define STDERR_FILENO
  • Define Documentation

• Define STDOUT_FILENO
  • Define Documentation

Typedefs

• Typedef cif::from_chars_function
  • Typedef Documentation
    • from_chars_function

• Typedef cif::gzio::ifstream
  • Typedef Documentation
    • ifstream

• Typedef cif::gzio::istream
  • Typedef Documentation
    • istream

• Typedef cif::gzio::ofstream
  • Typedef Documentation
    • ofstream

• Typedef cif::iset
  • Typedef Documentation
    • iset

• Typedef cif::matrix3x3
  • Typedef Documentation
    • matrix3x3

• Typedef cif::matrix4x4
  • Typedef Documentation
    • matrix4x4

• Typedef cif::point
  • Typedef Documentation
    • point

• Typedef cif::quaternion
  • Typedef Documentation
    • quaternion

• Typedef cif::selected_charconv
  • Typedef Documentation
    • selected_charconv

• Typedef cif::symmetric_matrix3x3
  • Typedef Documentation
    • symmetric_matrix3x3

• Typedef cif::symmetric_matrix4x4
  • Typedef Documentation
    • symmetric_matrix4x4