One structure from a file that may hold several, such as a multi-block CIF. More...

#include <load_geometry.h>

Public Attributes
std::string	name
	The CIF data block name, or the file's stem for single-structure formats.
int	index {0}
	Position of the block in its file, from 0.
std::optional< occ::crystal::Crystal >	crystal
	Unset when the block could not be read as a crystal; see error.
std::string	error

Detailed Description

One structure from a file that may hold several, such as a multi-block CIF.

Member Data Documentation

std::optional<occ::crystal::Crystal> occ::io::CrystalBlock::crystal

Unset when the block could not be read as a crystal; see error.

std::string occ::io::CrystalBlock::error

int occ::io::CrystalBlock::index {0}

Position of the block in its file, from 0.

std::string occ::io::CrystalBlock::name

The CIF data block name, or the file's stem for single-structure formats.

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