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_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)
