One file format pseudopotential datasets are read from; see the file comment. More...

#include <pseudopotential_format.hpp>

Inheritance diagram for q3::PseudopotentialFormat:

Public Member Functions
virtual	~PseudopotentialFormat ()=default

virtual int	detection_priority () const =0

virtual std::vector< std::string >	names () const =0
	The names this format answers to; the first is canonical and appears in error text.

virtual std::unique_ptr< Pseudopotential >	read (const std::string &filename, int dataset_index) const =0

virtual bool	recognizes (const std::string &first_line) const =0
	Whether a file whose first line is `first_line` holds a dataset of this format.

Detailed Description

One file format pseudopotential datasets are read from; see the file comment.

Definition at line 23 of file pseudopotential_format.hpp.

Constructor & Destructor Documentation

◆ ~PseudopotentialFormat()

virtual q3::PseudopotentialFormat::~PseudopotentialFormat ( )

virtualdefault

Member Function Documentation

◆ detection_priority()

virtual int q3::PseudopotentialFormat::detection_priority ( ) const

pure virtual

Rank among the formats that recognise a file, highest first. A format recognised by a definite signature ranks above one that claims whatever the others do not, so the broad claim never hides a specific one.

Implemented in q3::UPFPseudopotentialFormat.

Referenced by q3::PseudopotentialFactory::read().