mbuild_polybuild.cg_monomers.betaine.Betaine.check_for_overlap

Betaine.check_for_overlap(excluded_bond_depth, minimum_distance=0.1)

Check if a compound contains overlapping particles.

Parameters:

excluded_bond_depthint, required

The depth of bonded neighbors to exclude from overlap check. see Compound.direct_bonds()

minimum_distancefloat, default=0.10

Distance (in nanometers) used as the threshold in determining if a pair of particles overlap.

Notes:

If minimum_distance is set larger than existing bond lengths, adjust the excluded_bond_depth parameter to excluded directly bonded neighbors from overlap checks.

See Also:

mbuild.Compound.direct_bonds()

Returns:

overlapping_particleslist of tuples

A list of particle pairs that were found within minimum_distance.