q3::CubeVolumetricFieldWriter Class Reference

#include <cube.hpp>

Inheritance diagram for q3::CubeVolumetricFieldWriter:

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 70 of file cube.hpp.

Member Function Documentation

default_file_name()

std::string q3::CubeVolumetricFieldWriter::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 130 of file cube.hpp.

write()

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

inlineoverridevirtual

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

A line break after each run along the fastest axis is what every cube writer does, and what makes a file readable by eye as a stack of z-columns.

Implements q3::VolumetricFieldWriter.

Definition at line 72 of file cube.hpp.

References q3::VolumetricField::atom_species_indices, q3::VolumetricField::atomic_number(), q3::VolumetricField::cartesian_position_bohr(), q3::VolumetricField::description, q3::VolumetricField::grid_dimensions, q3::VolumetricField::lattice_vectors_bohr, q3::VolumetricField::number_of_atoms(), q3::VolumetricField::species_valence_charges, q3::VolumetricField::unit, q3::VolumetricField::value(), q3::Vector3D::x, q3::Vector3D::y, and q3::Vector3D::z.

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

• src/io/volumetric/cube.hpp