#include <cube_reader.hpp>
Public Member Functions | |
| VolumetricField | read (const std::string &path) const |
Definition at line 37 of file cube_reader.hpp.
|
inline |
A negative voxel count is the format's way of saying the lengths on this file's header lines are Ångström rather than bohr.
Definition at line 39 of file cube_reader.hpp.
References q3::constants::ANGSTROM_TO_BOHR, q3::VolumetricField::atom_positions_crystal, q3::VolumetricField::atom_species_indices, q3::VolumetricField::description, q3::VolumetricField::grid_dimensions, q3::VolumetricField::lattice_vectors_bohr, q3::VolumetricField::number_of_grid_points(), q3::VolumetricField::values, q3::Vector3D::x, q3::Vector3D::y, and q3::Vector3D::z.