Enum radius_type

Enum Documentation

enum class cif::radius_type

An enum used to select the desired radius for an atom. All values are collected from the wikipedia pages on atom radii

Values:

enumerator calculated

Calculated radius from theoretical models.

enumerator empirical

Empirically measured covalent radii.

enumerator covalent_empirical

Deprecated:

It is a bit unclear where these values came from. So, better not use them

enumerator single_bond

Bond length for a single covalent bond calculated using statistically analysis.

enumerator double_bond

Bond length for a double covalent bond calculated using statistically analysis.

enumerator triple_bond

Bond length for a triple covalent bond calculated using statistically analysis.

enumerator van_der_waals

Radius of an imaginary hard sphere representing the distance of closest approach for another atom.

enumerator type_count

Number of radii.