gemmi::ChemLink Struct Reference

#include <monlib.hpp>

Classes
struct	Side

Public Member Functions
int	calculate_score (const Residue &res1, const Residue *res2, char alt, char alt2, const ChemComp::Aliasing *aliasing1, const ChemComp::Aliasing *aliasing2) const
	If multiple ChemLinks match a bond, the one with highest scores should be used.

Public Attributes
std::string	id
std::string	name
Side	side1
Side	side2
Restraints	rt
cif::Block	block

Detailed Description

Definition at line 29 of file monlib.hpp.

Member Function Documentation

calculate_score()

int gemmi::ChemLink::calculate_score	(	const Residue &	res1,
		const Residue *	res2,
		char	alt,
		char	alt2,
		const ChemComp::Aliasing *	aliasing1,
		const ChemComp::Aliasing *	aliasing2
	)		const

If multiple ChemLinks match a bond, the one with highest scores should be used.

Member Data Documentation

id

std::string gemmi::ChemLink::id

Definition at line 47 of file monlib.hpp.

name

std::string gemmi::ChemLink::name

Definition at line 48 of file monlib.hpp.

side1

Side gemmi::ChemLink::side1

Definition at line 49 of file monlib.hpp.

side2

Side gemmi::ChemLink::side2

Definition at line 50 of file monlib.hpp.

rt

Restraints gemmi::ChemLink::rt

Definition at line 51 of file monlib.hpp.

block

cif::Block gemmi::ChemLink::block

Definition at line 52 of file monlib.hpp.

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The documentation for this struct was generated from the following file:

• include/gemmi/monlib.hpp