Sails::LinkageData

struct `Sails::LinkageData`

A struct representing the data for a linkage between two atoms.

The LinkageData struct holds information about a linkage between two atoms, including the donor and acceptor names, the donor and acceptor numbers, and the angle and torsion sets associated with the linkage.

@constructor LinkageData

Parameters

donor The name of the donor atom.
acceptor The name of the acceptor atom.
donor_number The number of the donor atom.
acceptor_number The number of the acceptor atom.
angle_set The AngleSet associated with the linkage.
torsion_set The TorsionSet associated with the linkage.

Summary

Members	Descriptions
`public std::stringdonor`
`public std::stringacceptor`
`public intdonor_number`
`public intacceptor_number`
`public doublelength`
`public std::vector<Cluster>clusters`
`public inlineLinkageData(std::string donor, std::string acceptor, const int donor_number, const int acceptor_number, const double length, const std::vector<Cluster> & clusters)`

Members

`public std::stringdonor`

`public std::stringacceptor`

`public intdonor_number`

`public intacceptor_number`

`public doublelength`

`public std::vector<Cluster>clusters`

`public inlineLinkageData(std::string donor, std::string acceptor, const int donor_number, const int acceptor_number, const double length, const std::vector<Cluster> & clusters)`

Last modified: 23 November 2024

Sails::LinkageData

struct Sails::LinkageData

Parameters

Summary

Members

public std::stringdonor

public std::stringacceptor

public intdonor_number

public intacceptor_number

public doublelength

public std::vector<Cluster>clusters

public inlineLinkageData(std::string donor, std::string acceptor, const int donor_number, const int acceptor_number, const double length, const std::vector<Cluster> & clusters)