Scine::Molassembler::BondIndex Struct Reference

Type used to refer to particular bonds. Orders first < second. More...

#include <Types.h>

Public Types
using	const_iterator = const AtomIndex *

Public Member Functions
	BondIndex ()
	Default constructor, leaves members uninitialized.
	BondIndex (AtomIndex a, AtomIndex b) noexcept
	Component constructor, establishes ordering.
bool	contains (AtomIndex a) const
	Whether first or second is a.
bool	operator< (const BondIndex &other) const
	Lexicographic comparison.
bool	operator== (const BondIndex &other) const
	Lexicographic comparison.
const_iterator	begin () const
	Returns the address of first.
const_iterator	end () const
	Returns the address past second.

Data Fields
AtomIndex	first
	Smaller atom index.
AtomIndex	second
	Larger atom index.

Detailed Description

Type used to refer to particular bonds. Orders first < second.

Member Typedef Documentation

using Scine::Molassembler::BondIndex::const_iterator = const AtomIndex*

Iterator type is just a pointer to member

Since the standard guarantees that struct members are laid out successively in memory, we can implement an iterator using just pointers. It doesn't have the necessary typedefs for STL algorithms, but could be useful just the same.

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

• Molassembler/Types.h