Index

_

__post_init__() (rxnDB.data.loader.RxnDBLoader method) (rxnDB.data.preprocessor.HP11Preprocessor method) (rxnDB.data.processor.RxnDBProcessor method) (rxnDB.visualize.RxnDBPlotter method) _build_color_map() (rxnDB.data.processor.RxnDBProcessor method) _build_reaction_groups() (rxnDB.data.processor.RxnDBProcessor method) _color_map (rxnDB.data.processor.RxnDBProcessor attribute) _configure_layout() (rxnDB.visualize.RxnDBPlotter method) _convert_to_str_list() (rxnDB.data.loader.RxnDBLoader method) _extract_elements() (rxnDB.data.processor.RxnDBProcessor method) _get_color_from_reaction() (rxnDB.data.processor.RxnDBProcessor method) _get_color_palette() (rxnDB.data.processor.RxnDBProcessor method) _grouped_phases_by_mode (rxnDB.data.processor.RxnDBProcessor attribute) _original_df (rxnDB.data.processor.RxnDBProcessor attribute) _parse_data_lines() (rxnDB.data.preprocessor.HP11Preprocessor static method) _phase_abbrev_to_formula_lookup (rxnDB.data.processor.RxnDBProcessor attribute)

_phase_abbrev_to_group_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _phase_abbrev_to_name_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _phase_formula_to_abbrev_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _phase_group_to_abbrev_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _phase_name_to_abbrev_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _precompute_phase_info() (rxnDB.data.processor.RxnDBProcessor method) _process_entry() (rxnDB.data.preprocessor.HP11Preprocessor method) _reaction_groups (rxnDB.data.processor.RxnDBProcessor attribute) _read_yml() (rxnDB.data.loader.RxnDBLoader method) _round_data() (rxnDB.data.preprocessor.HP11Preprocessor static method) _split_citations() (rxnDB.data.preprocessor.HP11Preprocessor static method) _split_into_entries() (rxnDB.data.preprocessor.HP11Preprocessor static method) _split_reaction() (rxnDB.data.preprocessor.HP11Preprocessor static method) _split_reaction_and_citation() (rxnDB.data.preprocessor.HP11Preprocessor method) _uid_to_product_abbrevs_lookup (rxnDB.data.processor.RxnDBProcessor attribute) _uid_to_reactant_abbrevs_lookup (rxnDB.data.processor.RxnDBProcessor attribute)

A

add_color_keys() (rxnDB.data.processor.RxnDBProcessor method) allow_empty (rxnDB.data.processor.RxnDBProcessor attribute)

app (in module rxnDB.app) app_dir (in module rxnDB.utils) app_ui (in module rxnDB.app)

C

color_palette (rxnDB.data.processor.RxnDBProcessor attribute) configure_ui() (in module rxnDB.ui) convert_P_to_gigapascal() (rxnDB.data.processor.RxnDBProcessor static method)

convert_P_to_kbar() (rxnDB.data.processor.RxnDBProcessor static method) convert_T_to_celcius() (rxnDB.data.processor.RxnDBProcessor static method) convert_T_to_kelvin() (rxnDB.data.processor.RxnDBProcessor static method)

D

dark_mode (rxnDB.visualize.RxnDBPlotter attribute) data (rxnDB.data.processor.RxnDBProcessor property)

df (rxnDB.data.processor.RxnDBProcessor attribute) (rxnDB.visualize.RxnDBPlotter attribute)

F

filter_by_ids() (rxnDB.data.processor.RxnDBProcessor method) filter_by_plot_type() (rxnDB.data.processor.RxnDBProcessor method) filter_by_product_abbrevs() (rxnDB.data.processor.RxnDBProcessor method)

filter_by_reactant_abbrevs() (rxnDB.data.processor.RxnDBProcessor method) filter_by_reactants_and_product_abbrevs() (rxnDB.data.processor.RxnDBProcessor method) filter_by_type() (rxnDB.data.processor.RxnDBProcessor method) font_size (rxnDB.visualize.RxnDBPlotter attribute)

G

get_all_chemical_components() (rxnDB.data.processor.RxnDBProcessor method) get_all_group_names() (rxnDB.data.processor.RxnDBProcessor method) get_all_grouped_phases() (rxnDB.data.processor.RxnDBProcessor method) get_all_phase_info() (rxnDB.data.processor.RxnDBProcessor method) get_group_id() (rxnDB.data.processor.RxnDBProcessor static method) get_grouped_phases() (rxnDB.data.processor.RxnDBProcessor method) get_phase_abbrev_from_formula() (rxnDB.data.processor.RxnDBProcessor method) get_phase_abbrev_from_group() (rxnDB.data.processor.RxnDBProcessor method) get_phase_abbrev_from_name() (rxnDB.data.processor.RxnDBProcessor method)

get_phase_formula_from_abbrev() (rxnDB.data.processor.RxnDBProcessor method) get_phase_group_from_abbrev() (rxnDB.data.processor.RxnDBProcessor method) get_phase_info_from_abbrev() (rxnDB.data.processor.RxnDBProcessor method) get_phase_name_from_abbrev() (rxnDB.data.processor.RxnDBProcessor method) get_product_abbrevs_from_ids() (rxnDB.data.processor.RxnDBProcessor method) get_product_info_from_unique_id() (rxnDB.data.processor.RxnDBProcessor method) get_reactant_abbrevs_from_ids() (rxnDB.data.processor.RxnDBProcessor method) get_reactant_info_from_unique_id() (rxnDB.data.processor.RxnDBProcessor method) get_reaction_info_from_unique_id() (rxnDB.data.processor.RxnDBProcessor method) get_unique_ids_from_phase_abbrevs() (rxnDB.data.processor.RxnDBProcessor method)

H

HP11Preprocessor (class in rxnDB.data.preprocessor)

I

ids (rxnDB.visualize.RxnDBPlotter attribute) in_data (in module rxnDB.app) (rxnDB.data.preprocessor.HP11Preprocessor attribute)

in_dir (rxnDB.data.loader.RxnDBLoader attribute)

L

load_all() (rxnDB.data.loader.RxnDBLoader method)

load_entry() (rxnDB.data.loader.RxnDBLoader method) load_parquet() (rxnDB.data.loader.RxnDBLoader static method)

M

main() (in module rxnDB.cli) (in module rxnDB.data.loader) (in module rxnDB.data.preprocessor) (in module rxnDB.data.processor) MINERAL_ABBREV_MAP (in module rxnDB.data.mapping) module rxnDB rxnDB.app rxnDB.cli rxnDB.data rxnDB.data.loader rxnDB.data.mapping rxnDB.data.preprocessor rxnDB.data.processor rxnDB.ui rxnDB.utils rxnDB.visualize

O

out_dir (rxnDB.data.preprocessor.HP11Preprocessor attribute)

P

phases (rxnDB.data.processor.RxnDBProcessor property)

plot() (rxnDB.visualize.RxnDBPlotter method) preprocess() (rxnDB.data.preprocessor.HP11Preprocessor method)

R

rxnDB module rxnDB.app module rxnDB.cli module rxnDB.data module rxnDB.data.loader module rxnDB.data.mapping module

rxnDB.data.preprocessor module rxnDB.data.processor module rxnDB.ui module rxnDB.utils module rxnDB.visualize module RxnDBLoader (class in rxnDB.data.loader) RxnDBPlotter (class in rxnDB.visualize) RxnDBProcessor (class in rxnDB.data.processor)

S

save_as_parquet() (rxnDB.data.loader.RxnDBLoader static method)

server() (in module rxnDB.app)