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Sails::ResidueData

struct Sails::ResidueData

A struct representing the data of a residue.

This struct stores the acceptor and donor maps, acceptor and donor sets, and SNFG shape and color for a residue.

@constructor ResidueData

Parameters

  • acceptors A vector of acceptor atom sets.

  • donors A vector of donor atom sets.

  • snfg_shape The shape of the SNFG symbol e.g. square.

  • snfg_colour The colour of the SNFG symbol e.g. blue.

Summary

Members

Descriptions

public std::map< int, std::vector< std::string > >acceptor_map

public std::map< int, std::vector< std::string > >donor_map

public std::vector<AtomSet>acceptors

public std::vector<AtomSet>donors

public std::stringsnfg_shape

public std::stringsnfg_colour

public std::vector< int >preferred_depths

publicResidueData() = default

public inlineResidueData(const std::vector<AtomSet> & acceptors, const std::vector<AtomSet> & donors, std::string snfg_shape, std::string snfg_colour, std::vector< int > & preferred_depths)

Members

public std::map< int, std::vector< std::string > >acceptor_map

public std::map< int, std::vector< std::string > >donor_map

public std::vector<AtomSet>acceptors

public std::vector<AtomSet>donors

public std::stringsnfg_shape

public std::stringsnfg_colour

public std::vector< int >preferred_depths

publicResidueData() = default

public inlineResidueData(const std::vector<AtomSet> & acceptors, const std::vector<AtomSet> & donors, std::string snfg_shape, std::string snfg_colour, std::vector< int > & preferred_depths)

Last modified: 08 August 2024