Scine::Molassembler::AngstromPositions Class Reference

A wrapper class around Utils' PositionCollection to emphasize that the positions stored therein are in Angstrom. More...

#include <AngstromPositions.h>

Public Member Functions
	AngstromPositions ()=default
	Default ctor.
	AngstromPositions (unsigned N)
	Preallocate space for N positions.
	AngstromPositions (const Utils::PositionCollection &pos, LengthUnit lengthUnit=LengthUnit::Bohr)
	Convert from a Utils::PositionCollection.
Utils::PositionCollection	getBohr () const
	Fetch a bohr representation of the wrapped positions.

Data Fields
Utils::PositionCollection	positions
	Positions in angstrom units.

Detailed Description

A wrapper class around Utils' PositionCollection to emphasize that the positions stored therein are in Angstrom.

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

• Molassembler/AngstromPositions.h