q3::XsfVolumetricFieldWriter Class Reference

#include <xsf.hpp>

Inheritance diagram for q3::XsfVolumetricFieldWriter:

Public Member Functions
std::string	default_file_name (const std::string &stem) const override
void	write (const std::string &path, const VolumetricField &field) const override
	Write field to path, throwing std::runtime_error if it cannot be written.
Public Member Functions inherited from q3::VolumetricFieldWriter
virtual	~VolumetricFieldWriter ()=default

Detailed Description

Definition at line 43 of file xsf.hpp.

Member Function Documentation

default_file_name()

std::string q3::XsfVolumetricFieldWriter::default_file_name ( const std::string &  stem ) const

inlineoverridevirtual

What a file of this format is conventionally called, given a run's prefix and the field's name. Cube and XSF take a suffix; a format whose file has a fixed name says so by returning that name unchanged.

Implements q3::VolumetricFieldWriter.

Definition at line 114 of file xsf.hpp.

write()

void q3::XsfVolumetricFieldWriter::write ( const std::string &  path, const VolumetricField &  field  ) const

inlineoverridevirtual

Write field to path, throwing std::runtime_error if it cannot be written.

Implements q3::VolumetricFieldWriter.

Definition at line 45 of file xsf.hpp.

References q3::VolumetricField::atomic_number(), q3::constants::BOHR_RADIUS_ANGSTROM, q3::VolumetricField::cartesian_position_bohr(), q3::VolumetricField::description, q3::VolumetricField::grid_dimensions, q3::VolumetricField::lattice_vectors_bohr, q3::VolumetricField::number_of_atoms(), q3::VolumetricField::unit, and q3::VolumetricField::value().

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

• src/io/volumetric/xsf.hpp