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

#include <Interpret.h>

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...

std::vector< AngstromPositions >	apply (const AngstromPositions &positions) const

std::vector < PeriodicBoundaryDuplicates >	apply (const std::unordered_set< unsigned > &uninterestingAtoms, const std::unordered_map< unsigned, unsigned > &ghostAtomMap) const

unsigned	size () const
	Size of the map.

unsigned	countComponents () const

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

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

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