biotite.structure.check_linear_continuity

biotite.structure.check_linear_continuity(array, min_len=1.2, max_len=1.8)[source]

Check linear (consecutive) bond continuity of atoms in atom array.

Parameters
arrayAtomArray

Arbitrary structure.

min_lenfloat, optional

Minimum bond length.

max_lenfloat, optional

Maximum bond length.

Returns
discontinuityndarray, dtype=int

Indices of array corresponding to atoms where the bond with the preceding atom is beyond the provided bounds.

See also

biotite.structure.filter.filter_linear_bond_continuity

A function to filter for atoms preserving the continuity (used here).

biotite.structure.bonds.BondList

A class that doesn’t depend on the atoms’ order to identify bonds.