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Classes and Structs
- Struct item_handle
- Struct Documentation
cif::item_handleitem_handle()operator=()value()value()is_inapplicable()is_missing()is_null()is_string()is_number_int()is_number_float()is_number()type()get()as()str()sv()value_or()compare()compare()operator==()operator!=()empty()text_()item_handle()item_handle()item_handle()operator=()swapoperator<<
- Struct Documentation
- Template Struct point_type
- Struct Documentation
cif::point_typevalue_typepoint_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 std::tuple< const value_type &, const value_type &, const value_type & >()operator std::tuple< value_type &, value_type &, value_type & >()operator==()operator!=()length_sq()length()m_xm_ym_zoperator+operator-operator-operator*operator*operator/operator<<
- Struct Documentation
- Class category
- Nested Relationships
- Class Documentation
cif::categoryoutput_formatkey_typevalue_provider_typecategory()category()category()category()category()operator=()~category()name()name()is_dirty()set_dirty()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()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()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_item_ix()get_item_name()add_item()remove_item()drop_empty_items()rename_item()has_item()get_items()get_item_count()sort()reorder_by_index()get_item_order()write()write()write()swapoperator<<cif::category::key_element_type
- Class compound_factory
- Class Documentation
cif::compound_factorycompound_factory()operator=()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()kAAMapkBaseMap
- Class Documentation
- Class item_value
- Class Documentation
cif::item_valueitem_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()item_value()operator=()is_inapplicable()is_missing()is_null()is_string()is_number_int()is_number_float()is_number()type()empty()get()get()get()get()str()sv()operator<=>()operator==()compare()cast_to_int()cast_to_float()cast_to_string()swapoperator<<
- Class Documentation
- Class atom
- Class Documentation
cif::mm::atomatom()atom()atom()atom()operator=()atom()atom()operator bool()get_property_value()get_property()get_property_float()get_property_int()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 Documentation
- Class monomer
- Inheritance Relationships
- Class Documentation
cif::mm::monomermonomer()monomer()monomer()operator=()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()swap
- Class residue
- Inheritance Relationships
- Class Documentation
cif::mm::residueresidue()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::structurestructure()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 Documentation
- Template Class quaternion_type
- Class Documentation
cif::quaternion_typevalue_typequaternion_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*normalizeconjoperator<<
- Class Documentation
- Class validator
- Class Documentation
cif::validatorvalidator()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()report_error()report_error()fill_audit_conform()matches_audit_conform()append_audit_conform()swap
- Class Documentation
Enums
- Enum atom_type
- Enum Documentation
atom_typeNnHHeLiBeBCNOFNeNaMgAlSiPSClArKCaScTiVCrMnFeCoNiCuZnGaGeAsSeBrKrRbSrYZrNbMoTcRuRhPdAgCdInSnSbTeIXeCsBaLaHfTaWReOsIrPtAuHgTlPbBiPoAtRnFrRaAcRfDbSgBhHsMtDsRgCnNhFlMcLvTsOgCePrNdPmSmEuGdTbDyHoErTmYbLuThPaUNpPuAmCmBkCfEsFmMdNoLrD
- Enum Documentation
- Enum validation_error
- Enum Documentation
validation_errorvalue_does_not_match_rxvalue_is_not_in_enumeration_listvalue_is_not_a_numbervalue_is_not_a_char_stringnot_a_known_primitive_typeundefined_categoryunknown_itemincorrect_item_validatormissing_mandatory_itemsmissing_key_itemsitem_not_allowed_in_categoryempty_fileempty_datablockempty_categorynot_valid_pdbx
- Enum Documentation