Index

A

add_scine_database() (scine_art.database.ReactionTemplateDatabase method) add_template() (scine_art.database.ReactionTemplateDatabase method)

append_file() (scine_art.database.ReactionTemplateDatabase method) apply() (scine_art.reaction_template.ReactionTemplate method) AssosDissos (class in scine_art.reaction_template)

D

determine_all_matches() (scine_art.reaction_template.ReactionTemplate method)

dump_svg_representation() (scine_art.database.ReactionTemplateDatabase method)

F

find_matching_templates() (scine_art.database.ReactionTemplateDatabase method) from_aligned_structures() (scine_art.reaction_template.ReactionTemplate static method)

from_trajectory() (scine_art.reaction_template.ReactionTemplate static method) from_trajectory_spline() (scine_art.reaction_template.ReactionTemplate static method)

G

generate_networkx_graph_from_template() (scine_art.reaction_template.ReactionTemplate static method) get_atom_mapping() (in module scine_art.molecules)

get_networkx_graph() (scine_art.reaction_template.ReactionTemplate method) get_template() (scine_art.database.ReactionTemplateDatabase method) get_uuid() (scine_art.reaction_template.ReactionTemplate method)

I

intersection() (in module scine_art.molecules)

is_single_subgraph() (in module scine_art.molecules) iterate_templates() (scine_art.database.ReactionTemplateDatabase method)

L

load() (scine_art.database.ReactionTemplateDatabase method)

load_file() (in module scine_art.io) load_spline_from_trajectory() (in module scine_art.io)

M

map_reaction_from_molecules_cached() (in module scine_art.experimental) map_reaction_from_molecules_direct() (in module scine_art.experimental) matching_atom_ids() (in module scine_art.molecules) module scine_art.database scine_art.experimental scine_art.io scine_art.molecules scine_art.reaction_template

mol_from_subgraph_indices() (in module scine_art.molecules)

R

ReactionTemplate (class in scine_art.reaction_template)

ReactionTemplateDatabase (class in scine_art.database)

S

save() (scine_art.database.ReactionTemplateDatabase method) scine_art.database module scine_art.experimental module scine_art.io module scine_art.molecules module

scine_art.reaction_template module set_difference() (in module scine_art.molecules) SideContainer (class in scine_art.reaction_template) sort_indices_by_subgraph() (in module scine_art.molecules) strict_equal() (scine_art.reaction_template.ReactionTemplate method) symmetric_difference() (in module scine_art.molecules)

T

template_count() (scine_art.database.ReactionTemplateDatabase method)

TemplateTypeContainer (class in scine_art.reaction_template)

U

update() (scine_art.reaction_template.ReactionTemplate method)

W

write_molecule_to_svg() (in module scine_art.io)