Index

A

all_ferrocene_metals() (in module mofstructure.mofdeconstructor) angle_tolerance_to_rad() (in module mofstructure.mofdeconstructor)

ase_2_pybel() (in module mofstructure.mofdeconstructor) ase_2_xyz() (in module mofstructure.mofdeconstructor) ase_to_zeoobject() (in module mofstructure.porosity)

C

check_planarity() (in module mofstructure.mofdeconstructor) compute_ase_neighbour() (in module mofstructure.mofdeconstructor) compute_cheminformatic_from_rdkit() (in module mofstructure.mofdeconstructor) compute_cof_stacking() (in module mofstructure.cof_stacking) compute_inchis() (in module mofstructure.mofdeconstructor)

compute_openbabel_cheminformatic() (in module mofstructure.mofdeconstructor) compute_smi() (in module mofstructure.mofdeconstructor) connected_components() (in module mofstructure.mofdeconstructor) connected_components_iterative() (in module mofstructure.mofdeconstructor) connected_components_recursive() (in module mofstructure.mofdeconstructor) covalent_radius() (in module mofstructure.mofdeconstructor)

D

dfs_iterative() (in module mofstructure.mofdeconstructor)

dfsutil_graph_method() (in module mofstructure.mofdeconstructor)

F

find_carbonyl_sulphate() (in module mofstructure.mofdeconstructor) find_carboxylates() (in module mofstructure.mofdeconstructor) find_COS() (in module mofstructure.mofdeconstructor) find_key_or_value() (in module mofstructure.mofdeconstructor)

find_phosphate() (in module mofstructure.mofdeconstructor) find_phosphite() (in module mofstructure.mofdeconstructor) find_sulfides() (in module mofstructure.mofdeconstructor) find_unique_building_units() (in module mofstructure.mofdeconstructor)

G

get_coordination_environment() (in module mofstructure.structure) get_ligands() (mofstructure.structure.MOFstructure method)

get_oms() (mofstructure.structure.MOFstructure method) get_porosity() (mofstructure.structure.MOFstructure method) get_sbu() (mofstructure.structure.MOFstructure method)

I

inter_atomic_distance_check() (in module mofstructure.mofdeconstructor) inter_atomic_distance_check2() (in module mofstructure.mofdeconstructor) inter_atomic_distance_iterative() (in module mofstructure.mofdeconstructor) is_ferrocene() (in module mofstructure.mofdeconstructor) is_irmof() (in module mofstructure.mofdeconstructor)

is_mof32() (in module mofstructure.mofdeconstructor) is_paddlewheel() (in module mofstructure.mofdeconstructor) is_paddlewheel_with_water() (in module mofstructure.mofdeconstructor) is_rodlike() (in module mofstructure.mofdeconstructor) is_uio66() (in module mofstructure.mofdeconstructor)

L

ligands_and_metal_clusters() (in module mofstructure.mofdeconstructor)

longest_list() (in module mofstructure.mofdeconstructor)

M

matrix2dict() (in module mofstructure.mofdeconstructor) max_index() (in module mofstructure.mofdeconstructor) metal_coordination_enviroment() (in module mofstructure.mofdeconstructor) metal_coordination_number() (in module mofstructure.mofdeconstructor) metal_in_porphyrin() (in module mofstructure.mofdeconstructor) metal_in_porphyrin2() (in module mofstructure.mofdeconstructor) module mofstructure.cof_stacking mofstructure.mofdeconstructor mofstructure.porosity mofstructure.structure

mof_regions() (in module mofstructure.mofdeconstructor) MOFstructure (class in mofstructure.structure) mofstructure.cof_stacking module mofstructure.mofdeconstructor module mofstructure.porosity module mofstructure.structure module move2front() (in module mofstructure.mofdeconstructor)

O

obmol_2_rdkit() (in module mofstructure.mofdeconstructor)

R

remove_guest() (mofstructure.structure.MOFstructure method) remove_unbound_guest() (in module mofstructure.mofdeconstructor)

remove_unbound_guest_and_return_unique() (in module mofstructure.mofdeconstructor) rod_manipulation() (in module mofstructure.mofdeconstructor)

S

secondary_building_units() (in module mofstructure.mofdeconstructor)

T

transition_metals() (in module mofstructure.mofdeconstructor)

W

wrap_systems_in_unit_cell() (in module mofstructure.mofdeconstructor)

Z

zeo_calculation() (in module mofstructure.porosity)