Scine::Molassembler::Interpret::ComponentMap Struct Reference

Type used to represent a map from an atom collection index to an interpreted object. More...

#include <Interpret.h>

Data Structures
struct	ComponentIndexPair

Public Member Functions
ComponentIndexPair	apply (unsigned index) const
	Transform index from original atom collection to component and atom index.
unsigned	invert (const ComponentIndexPair &pair) const
	Transform component and atom index to index from original atom collection.
std::vector< std::vector < unsigned > >	invert () const
	Yields mapping from indices in components to original input indices. More...
std::vector < Utils::AtomCollection >	apply (const Utils::AtomCollection &atomCollection) const
	Splits an AtomCollection just like the interpret split the positions into parts. More...
unsigned	size () const
	Size of the map.

Data Fields
std::vector< unsigned >	map

Iterators
using	Iterator = std::vector< unsigned >::iterator
using	ConstIterator = std::vector< unsigned >::const_iterator
Iterator	begin ()
Iterator	end ()
ConstIterator	begin () const
ConstIterator	end () const

Detailed Description

Type used to represent a map from an atom collection index to an interpreted object.

Member Function Documentation

std::vector<Utils::AtomCollection> Scine::Molassembler::Interpret::ComponentMap::apply

(

const Utils::AtomCollection &

atomCollection

)

const

Splits an AtomCollection just like the interpret split the positions into parts.

Parameters

atomCollection

AtomCollection to split

Returns

As many atom collections as molecules from interpretation

std::vector< std::vector<unsigned> > Scine::Molassembler::Interpret::ComponentMap::invert

(

)

const

Yields mapping from indices in components to original input indices.

Returns

List of flat maps from indices within components to the original input index

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

• Molassembler/Interpret.h