Index

_

__init__() (adsorbate.Adsorbate method) (index_mapper.IndexMapper method) (perfect_zeolite.PerfectZeolite method) (zeolite.Zeolite method), [1] _check_unique_positions() (zeolite.Zeolite static method), [1]

_get_available_symbols() (perfect_zeolite.PerfectZeolite static method), [1] _get_old_to_new_map() (perfect_zeolite.PerfectZeolite static method), [1] _make_none_dict() (index_mapper.IndexMapper method) _read_cif_note_siteJan2021Update() (perfect_zeolite.PerfectZeolite static method), [1] _read_cif_note_sites() (perfect_zeolite.PerfectZeolite static method), [1] _reverse_main_index() (index_mapper.IndexMapper method)

A

add_additions_map_to_self() (zeolite.Zeolite method), [1] add_atoms() (index_mapper.IndexMapper method) (zeolite.Zeolite method), [1]

Adsorbate (class in adsorbate) apply() (zeolite.Zeolite method), [1] atom_indices_to_sites() (perfect_zeolite.PerfectZeolite property) avg_distance() (adsorbate.Adsorbate method)

B

build_additions_map() (perfect_zeolite.PerfectZeolite method), [1] build_all_atoms_cap_dict() (zeolite.Zeolite method), [1] build_cap_atoms() (zeolite.Zeolite static method)

build_from_cif_with_labels() (perfect_zeolite.PerfectZeolite class method), [1] build_H_atoms_cap_dict() (zeolite.Zeolite method), [1] build_O_atoms_cap_dict() (zeolite.Zeolite method), [1]

C

cap_atoms() (zeolite.Zeolite method), [1] change_atom_properties() (zeolite.Zeolite method), [1] cif_download module

ClusterMaker (class in zeolite) count_atomtypes() (perfect_zeolite.PerfectZeolite static method), [1] count_elements() (perfect_zeolite.PerfectZeolite method), [1] create_silanol_defect() (zeolite.Zeolite method), [1]

D

DefaultClusterMaker (class in zeolite) delete_atoms() (index_mapper.IndexMapper method) (zeolite.Zeolite method), [1]

delete_name() (index_mapper.IndexMapper method) download_cif() (in module cif_download)

E

extend() (index_mapper.IndexMapper method) (perfect_zeolite.PerfectZeolite method), [1]

F

find_best_place() (adsorbate.Adsorbate method) find_missing_atom() (zeolite.Zeolite method), [1]

find_type() (zeolite.Zeolite method), [1] find_void() (adsorbate.Adsorbate method)

G

get_atom_types() (perfect_zeolite.PerfectZeolite method), [1] get_cluster() (zeolite.ClusterMaker static method) (zeolite.Zeolite method), [1] get_cluster_indices() (zeolite.ClusterMaker method) (zeolite.DefaultClusterMaker method) get_cluster_indices_all_atoms() (zeolite.DefaultClusterMaker static method) get_cluster_indices_multi_T_site() (zeolite.DefaultClusterMaker static method) get_donor_vec() (adsorbate.Adsorbate method) get_H_pos() (zeolite.Zeolite method), [1] get_hetero_atoms() (perfect_zeolite.PerfectZeolite method), [1] get_hydrogen_cap_pos_simple() (zeolite.Zeolite method), [1] get_id() (index_mapper.IndexMapper static method) get_index() (index_mapper.IndexMapper method) get_indices() (perfect_zeolite.PerfectZeolite static method), [1]

get_indices_compliment() (perfect_zeolite.PerfectZeolite static method), [1] get_name1_to_name2_map() (index_mapper.IndexMapper method) get_oh_cluster_indices() (zeolite.DefaultClusterMaker static method) get_oh_cluster_multi_t_sites() (zeolite.DefaultClusterMaker class method) get_open_defect() (zeolite.ClusterMaker static method) get_overlap() (index_mapper.IndexMapper method) get_oxygen_cap_pos() (zeolite.Zeolite method), [1] get_reverse_main_index() (index_mapper.IndexMapper method) get_site_type() (perfect_zeolite.PerfectZeolite method), [1] get_site_types() (zeolite.Zeolite method), [1] get_type() (zeolite.Zeolite method), [1] get_unique_name() (index_mapper.IndexMapper static method) get_viable_pos_cluster_centers() (adsorbate.Adsorbate method) get_viable_positions() (adsorbate.Adsorbate method)

I

id (index_mapper.IndexMapper attribute) index_mapper module

IndexMapper (class in index_mapper) integrate() (zeolite.Zeolite method), [1] integrate_adsorbate() (zeolite.Zeolite method), [1]

M

make() (perfect_zeolite.PerfectZeolite class method), [1] min_distance() (adsorbate.Adsorbate method) module cif_download index_mapper perfect_zeolite zeolite

N

needs_cap() (zeolite.Zeolite method), [1]

P

perfect_zeolite module PerfectZeolite (class in perfect_zeolite), [1] pick_ads_position() (adsorbate.Adsorbate method)

pick_donor() (adsorbate.Adsorbate method) pick_host_atom() (adsorbate.Adsorbate method) pop() (index_mapper.IndexMapper method) (perfect_zeolite.PerfectZeolite method), [1] position_ads() (adsorbate.Adsorbate method)

R

register() (index_mapper.IndexMapper method) register_with_main() (index_mapper.IndexMapper method) register_with_parent() (zeolite.Zeolite method), [1] remove_addition() (zeolite.Zeolite method), [1]

remove_adsorbate() (zeolite.Zeolite method), [1] remove_caps() (zeolite.Zeolite method), [1] reregister_parent() (index_mapper.IndexMapper method) retag_self() (zeolite.Zeolite method), [1]

S

set_attrs_source() (zeolite.Zeolite static method), [1]

site_to_atom_indices() (perfect_zeolite.PerfectZeolite property) sphere_sample() (adsorbate.Adsorbate static method)

T

translate_self() (zeolite.Zeolite method), [1]

U

update_nl() (perfect_zeolite.PerfectZeolite method), [1]

W

wrap_self() (zeolite.Zeolite method)

Z

zeolite module

Zeolite (class in zeolite), [1]