chemicalchecker.database.dataset.Dataset

class Dataset(**kwargs)

Bases: Base

Dataset Table class.

Parameters:

• dataset_code (str) – primary key, Identifier of the dataset.

• level (str) – The CC level.

• coordinate (str) – Coordinates in the CC organization.

• name (str) – Display, short-name of the dataset.

• technical_name (str) – A more technical name for the dataset, suitable for chemo-/bio-informaticians.

• description (str) – This field contains a long description of the dataset.

• unknowns (bool) – Does the dataset contain known/unknown data.

• discrete (str) – The type of data that ultimately expresses de dataset, after the pre-processing.

• keys (str) – In the core CC database, most of the times this field will correspond to CPD, as the CC is centred on small molecules.

• features (str) – Twe express with this field the type of biological entities.

• exemplary (bool) – Is the dataset exemplary of the coordinate.

• public (bool) – Is dataset public.

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

Methods

add	Add a new row to the table.
from_csv	Add entries from CSV file.
get	Get Dataset with given code.
get_coordinates	Get Dataset list of possible coordinates.

Attributes

code
coordinate
dataset_code
datasources
derived
description
discrete
essential
exemplary
features
keys
level
metadata
name
public
registry
technical_name
unknowns

__repr__()

String representation.

static add(kwargs)

Add a new row to the table.

Parameters:

kwargs (dict) – The data in dictionary format.

static from_csv(filename)

Add entries from CSV file.

Parameters:

filename (str) – Path to a CSV file.

static get(code=None, **kwargs)

Get Dataset with given code.

Parameters:

code (str) – The Dataset code, e.g “A1.001”

static get_coordinates()

Get Dataset list of possible coordinates.