def assign_core_atom_distances(self, core_cutoff, neighbor_thresh=3, mindist=0.0, maxdist=12.0): f_hash = FutamuraHash(self, 0.0, maxdist, 2, core_cutoff, neighbor_thresh) atom_list = self.get_core_alpha_carbons(core_cutoff, neighbor_thresh) for cp in atom_list: cp.data['nearby_cps'] = f_hash.get_atoms_between(cp.atom_number, mindist, maxdist)
def assign_atom_distances(self, mindist=0.0, maxdist=12.0): f_hash = FutamuraHash(self, 0.0, maxdist, 1) atom_list = self.get_central_atom_list() for cp in atom_list: cp.data['nearby_cps'] = f_hash.get_atoms_between(cp.atom_number, mindist, maxdist)
def assign_atom_distances(self, mindist=0.0, maxdist=12.0): f_hash = FutamuraHash(self, 0.0, maxdist, 1) atom_list = self.get_central_atom_list() for cp in atom_list: cp.data['nearby_cps'] = f_hash.get_atoms_between( cp.atom_number, mindist, maxdist)