Sails::WURCS

publicWURCS() = default

public static std::stringgenerate_wurcs(Glycan* glycan, ResidueDatabase & residue_database)

public staticPseudoGlycangenerate_pseudo_glycan(const std::string & wurcs, gemmi::Structure * structure,Glycosite& glycosite, LinkageDatabase & linkage_database, ResidueDatabase & residue_database)

private static std::stringget_unit_count(Sails::Glycan* glycan)

private static std::stringget_unique_residue_list(Sails::Glycan* glycan, Sails::ResidueDatabase & residue_database)

private static std::stringget_residue_order(Sails::Glycan* glycan, Sails::ResidueDatabase & residue_database)

private static std::stringget_link_list(Sails::Glycan* glycan, Sails::ResidueDatabase & residue_database)

private inline static std::stringget_wurcs_header()

private inline static std::stringget_section_delimiter()

private static std::vector< int >calculate_residue_order(Glycan* glycan, ResidueDatabase & residue_database)

private static std::vector< std::string >extract_wurcs_unique_residues(const std::string & wurcs)

private static std::vector< int >extract_wurcs_residue_order(const std::string & wurcs)

private static std::vector< std::string >extract_wurcs_linkage_order(const std::string & wurcs)

private static std::vector< std::string >form_residue_name_order(ResidueDatabase & residue_database, std::vector< std::string > unique_residues, std::vector< int > residue_order)

private static gemmi::Structuregenerate_pseudo_structure()

private static voidadd_linkage_to_pseudo_glycan(std::vector<Sails::Glycosite> & glycosites,Sails::PseudoGlycan& pseudo_glycan, const std::string & linkage_string)

private template<>
static std::optional< key >get_key(const std::map< key, value > & map, Predicate predicate)

Get key from map using predicate, used to query a linkage or residue database.

Parameters

• map The map to get a key from

• predicate Predicate to search using

Returns

optional key