matgraphdb.materials.nodes.materials.MaterialStore

class MaterialStore(storage_path: str, initialize_kwargs: dict | None = None)

A class that inherits from NodeStore.

__init__(storage_path: str, initialize_kwargs: dict | None = None)

Parameters:

storage_path (str) – The path where ParquetDB files for this node type are stored.

Methods

__init__(storage_path[, initialize_kwargs])
backup_database(backup_path)	Creates a complete backup of the current dataset.
construct_table(data[, schema, metadata, ...])	Constructs a PyArrow Table from various input data formats.
copy_dataset(dest_name[, overwrite])	Creates a complete copy of the current dataset under a new name.
create(data[, schema, metadata, ...])	Adds new data to the database.
create_material([structure, coords, ...])	Adds a material to the database with optional symmetry and calculated properties.
create_materials(materials[, schema, ...])	Adds multiple materials to the database in a single transaction.
create_nodes(data[, schema, metadata, ...])	Adds new data to the database.
dataset_exists([dataset_name])	Check if a dataset exists and contains data.
delete([ids, filters, columns, normalize_config])	Deletes records or columns from the database.
delete_materials([ids, columns, ...])	Deletes records from the database by ID.
delete_nodes([ids, columns, normalize_config])	Deletes records from the database.
drop_dataset()	Removes the current dataset directory and reinitializes it with an empty table.
export_dataset(file_path[, format])	Exports the entire dataset to a single file in the specified format.
export_partitioned_dataset(export_dir, ...)	Exports the dataset to a partitioned format in the specified directory.
get_current_files()	Get a list of all Parquet files in the current dataset.
get_field_metadata([field_names, return_bytes])	Retrieves metadata for specified fields/columns in the dataset.
get_field_names([columns, include_cols])	Get the names of fields/columns in the dataset schema.
get_file_sizes([verbose])	Get the size of each file in the dataset in MB.
get_metadata([return_bytes])	Retrieves the metadata of the dataset table.
get_n_rows_per_row_group_per_file([as_dict])	Get the number of rows in each row group for each file.
get_number_of_row_groups_per_file()	Get the number of row groups in each Parquet file in the dataset.
get_number_of_rows_per_file()	Get the number of rows in each Parquet file in the dataset.
get_parquet_column_metadata_per_file([as_dict])	Get detailed metadata for each column in each row group in each file.
get_parquet_file_metadata_per_file([as_dict])	Get the metadata for each Parquet file in the dataset.
get_parquet_file_row_group_metadata_per_file([...])	Get detailed metadata for each row group in each Parquet file.
get_row_group_sizes_per_file([verbose])	Get the size of each row group for each file.
get_schema()	Get the PyArrow schema of the dataset.
get_serialized_metadata_size_per_file()	Get the serialized metadata size for each Parquet file in the dataset.
import_dataset(file_path[, format])	Imports data from a file into the dataset, supporting multiple file formats.
initialize(**kwargs)
is_empty()	Check if the dataset is empty.
merge_datasets(source_tables, dest_table)
normalize([normalize_config])	Normalize the dataset by restructuring files for optimal performance.
normalize_nodes([normalize_config])	Normalize the dataset by restructuring files for consistent row distribution.
preprocess_table(table[, ...])	Preprocesses a PyArrow table by flattening nested structures and handling special field types.
process_data_with_python_objects(data[, ...])	Processes input data and handles Python object serialization.
read([ids, columns, filters, load_format, ...])	Reads data from the database with flexible filtering and formatting options.
read_materials([ids, columns, filters, ...])	Reads data from the MaterialStore.
read_nodes([ids, columns, filters, ...])	Reads data from the database.
rename_dataset(new_name[, remove_dest])	Renames the current dataset directory and all contained files.
rename_fields(name_map[, normalize_config])	Rename fields/columns in the dataset using a mapping dictionary.
restore_database(backup_path)	Restores the dataset from a previous backup.
set_field_metadata(fields_metadata[, update])	Sets or updates metadata for specific fields/columns in the dataset.
set_metadata(metadata[, update])	Sets or updates the metadata of the dataset table.
sort_fields([normalize_config])	Sort the fields/columns of the dataset alphabetically by name.
summary([show_column_names])	Generate a formatted summary string containing database information and metadata.
to_nested([nested_dataset_dir, ...])	Converts the current dataset to a nested structure optimized for querying nested data.
transform(transform_callable[, new_db_path, ...])	Transform the entire dataset using a user-provided callable.
update(data[, schema, metadata, ...])	Updates existing records in the database by matching on specified key fields.
update_materials(data[, schema, metadata, ...])	Updates existing records in the database.
update_nodes(data[, schema, metadata, ...])	Updates existing records in the database.
update_schema([field_dict, schema, ...])	Updates the schema of the table in the dataset.

Attributes

basename_template	Get the template for parquet file basenames.
columns	Get the column names in the database.
dataset_name	Get the dataset name.
db_path	Get the database path.
n_columns	Get the number of columns in the database.
n_features
n_files	Get the number of parquet files in the database.
n_nodes
n_row_groups_per_file	Get the number of row groups in each parquet file.
n_rows	Get the total number of rows in the database.
n_rows_per_file	Get the number of rows in each parquet file.
n_rows_per_row_group_per_file	Get the number of rows in each row group for each file.
name_column
node_metadata_keys
serialized_metadata_size_per_file	Get the size of serialized metadata for each file.
storage_path