mofchecker v0.7.1+3.ge6b6381.dirty documentation
Contents:
Getting started with mofchecker
Background information about the checks
The mofchecker API reference
Developer notes
repository
open issue
Index
_
|
C
|
D
|
F
|
G
|
H
|
I
|
L
|
M
|
N
|
P
|
S
|
V
_
__init__() (mofchecker.MOFChecker method)
__weakref__ (mofchecker.MOFChecker attribute)
(mofchecker.utils.HighCoordinationNumber attribute)
(mofchecker.utils.LowCoordinationNumber attribute)
(mofchecker.utils.NoMetal attribute)
(mofchecker.utils.NoOpenDefined attribute)
C
compute_overlap_matrix() (in module mofchecker.utils)
D
density() (mofchecker.MOFChecker property)
F
formula() (mofchecker.MOFChecker property)
from_cif() (mofchecker.MOFChecker class method)
G
get_charges() (in module mofchecker.utils)
get_cn() (mofchecker.MOFChecker method)
get_connected_sites() (mofchecker.MOFChecker method)
get_metal_descriptors() (mofchecker.MOFChecker method)
get_metal_descriptors_for_site() (mofchecker.MOFChecker method)
get_mof_descriptors() (mofchecker.MOFChecker method)
get_overlapping_indices() (mofchecker.MOFChecker method)
get_overlaps() (in module mofchecker.utils)
get_subgraphs_as_molecules_all() (in module mofchecker.utils)
graph() (mofchecker.MOFChecker property)
graph_hash() (mofchecker.MOFChecker property)
H
has_atomic_overlaps() (mofchecker.MOFChecker property)
has_carbon() (mofchecker.MOFChecker property)
has_high_charges() (mofchecker.MOFChecker property)
has_hydrogen() (mofchecker.MOFChecker property)
has_lone_atom() (mofchecker.MOFChecker property)
has_lone_molecule() (mofchecker.MOFChecker property)
has_metal() (mofchecker.MOFChecker property)
has_oms() (mofchecker.MOFChecker property)
has_overvalent_c() (mofchecker.MOFChecker property)
has_overvalent_h() (mofchecker.MOFChecker property)
has_overvalent_n() (mofchecker.MOFChecker property)
has_undercoordinated_c() (mofchecker.MOFChecker property)
has_undercoordinated_metal() (mofchecker.MOFChecker property)
has_undercoordinated_n() (mofchecker.MOFChecker property)
HighCoordinationNumber
I
is_metal() (in module mofchecker.utils)
is_porous() (mofchecker.MOFChecker property)
is_site_open() (mofchecker.MOFChecker method)
L
LowCoordinationNumber
M
module
mofchecker
mofchecker.utils
mofchecker
module
MOFChecker (class in mofchecker)
mofchecker.utils
module
N
name() (mofchecker.MOFChecker property)
NoMetal
NoOpenDefined
nx_graph() (mofchecker.MOFChecker property)
P
print_dict() (in module mofchecker.utils)
S
scaffold_hash() (mofchecker.MOFChecker property)
V
volume() (mofchecker.MOFChecker property)