Source code for molsysmt.form.molsysmt_GROFileHandler.to_molsysmt_Topology
from molsysmt._private.digestion import digest
from molsysmt import pyunitwizard as puw
import numpy as np
[docs]
@digest(form='molsysmt.GROFileHandler')
def to_molsysmt_Topology(item, atom_indices='all', structure_indices='all', get_missing_bonds=True,
skip_digestion=False):
from .to_molsysmt_MolSys import to_molsysmt_MolSys
tmp_item = to_molsysmt_MolSys(item, atom_indices=atom_indices, structure_indices=structure_indices,
get_missing_bonds=get_missing_bonds, skip_digestion=True)
return tmp_item.topology