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

    • Struct structure_open_options

    • Class atom

    • Class branch

    • Class monomer

    • Class polymer

    • Class residue

    • Class structure

    • Class sugar

    • Enum EntityType

    • Enum occupancy_policy

  • Struct atom_type_info

  • Struct category_validator

  • Struct compound_atom

  • Struct compound_bond

  • Struct empty_type

  • Template Struct ff_charconv

  • Struct iless

  • Struct item_alias

  • Struct item_handle

  • Struct item_validator

  • Struct item_value

  • Struct key

  • Struct link_validator

  • 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::key_element_type

    • 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 sub_matrix

  • 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 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
    • cif::atom_type_info
      • type
      • name
      • symbol
      • weight
      • metal
      • radii

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

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

• Struct category::key_element_type
  • Nested Relationships
  • Struct Documentation
    • cif::category::key_element_type
      • name
      • value
      • may_be_null

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

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

• Struct coloured_string_t
  • Struct Documentation
    • cif::colour::detail::coloured_string_t
      • coloured_string_t()
      • operator=()
      • operator<<

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

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

• Struct empty_type
  • Struct Documentation
    • cif::empty_type

• Template Struct ff_charconv
  • Struct Documentation
    • cif::ff_charconv

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

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

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

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

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

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

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

• Struct structure_open_options
  • Struct Documentation
    • cif::mm::structure_open_options
      • skip_hydrogen
      • skip_hetatom
      • skip_water
      • occupancy_mode
      • asyms
      • min_b_factor
      • max_b_factor

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

• Class item
  • Class Documentation
    • cif::item
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • item()
      • name()
      • value()
      • value()
      • value()
      • empty()
      • is_null()
      • is_unknown()
      • length()
      • get()
      • operator<=>()

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

• Class validator
  • Class Documentation
    • cif::validator
      • validator()
      • validator()
      • ~validator()
      • validator()
      • validator()
      • operator=()
      • parse()
      • add_type_validator()
      • get_validator_for_type()
      • add_category_validator()
      • get_validator_for_category()
      • add_link_validator()
      • get_links_for_parent()
      • get_links_for_child()
      • report_error()
      • report_error()
      • report_error()
      • report_error()
      • fill_audit_conform()
      • matches_audit_conform()
      • append_audit_conform()
      • swap

• Class validator_factory
  • Class Documentation
    • cif::validator_factory
      • get()
      • get()
      • add()
      • instance()
      • check_version()

Enums

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

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

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

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

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

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

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

• Enum occupancy_policy
  • Enum Documentation
    • occupancy_policy
      • ALL
      • MAX
      • MIN
      • UNOCCUPIED

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

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

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

• Enum validation_error
  • Enum Documentation
    • validation_error
      • value_does_not_match_rx
      • value_is_not_in_enumeration_list
      • not_a_known_primitive_type
      • undefined_category
      • unknown_item
      • incorrect_item_validator
      • missing_mandatory_items
      • missing_key_items
      • item_not_allowed_in_category
      • empty_file
      • empty_datablock
      • empty_category
      • 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::determinant(const matrix4x4<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::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()

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

• 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::swap
  • Function Documentation
    • swap()

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

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

• 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::fixup_pdbx(file&)
  • Function Documentation
    • fixup_pdbx()

• Function cif::pdb::fixup_pdbx(file&, const validator&)
  • Function Documentation
    • fixup_pdbx()

• 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&, const validator&)
  • 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&, const validator&, 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(file&)
  • Function Documentation
    • reconstruct_pdbx()

• Function cif::pdb::reconstruct_pdbx(file&, const validator&)
  • 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()

• Function cif::smallest_sphere_around_points
  • Function Documentation
    • smallest_sphere_around_points()

• 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()

• 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
    • CIFPP_DEPRECATED

• Define CIFPP_DEPRECATED_EXPORT
  • Define Documentation
    • CIFPP_DEPRECATED_EXPORT

• Define CIFPP_DEPRECATED_NO_EXPORT
  • Define Documentation
    • CIFPP_DEPRECATED_NO_EXPORT

• Define CIFPP_NO_EXPORT
  • Define Documentation
    • CIFPP_NO_EXPORT

• Define STDERR_FILENO
  • Define Documentation
    • STDERR_FILENO

• Define STDOUT_FILENO
  • Define Documentation
    • STDOUT_FILENO

Typedefs

• Typedef cif::charconv
  • Typedef Documentation
    • charconv

• 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::symmetric_matrix3x3
  • Typedef Documentation
    • symmetric_matrix3x3

• Typedef cif::symmetric_matrix4x4
  • Typedef Documentation
    • symmetric_matrix4x4