BaseDataQuery
- class openff.evaluator.storage.query.BaseDataQuery[source]
A base class for queries which can be made to a StorageBackend.
- __init__()
Methods
__init__()apply(data_object)Apply this query to a data object.
The type of data class that this query can be applied to.
from_data_object(data_object)Returns the query which would match this data object.
from_json(file_path)Create this object from a JSON file.
get_attributes([attribute_type])Returns all attributes of a specific attribute_type.
json([file_path, format])Creates a JSON representation of this class.
parse_json(string_contents)validate([attribute_type])Validate the values of the attributes.
- abstract classmethod data_class()[source]
The type of data class that this query can be applied to.
- Returns
- Return type
type of BaseStoredData
- apply(data_object)[source]
Apply this query to a data object.
- Parameters
data_object (BaseStoredData) – The data object to apply the query to.
- Returns
The values of the matched parameters of the data object fully matched this query, otherwise None.
- Return type
tuple of Any, optional
- classmethod from_data_object(data_object)[source]
Returns the query which would match this data object.
- Parameters
data_object (BaseStoredData) – The data object to construct the query for.
- Returns
The query which would match this data object.
- Return type
cls
- classmethod from_json(file_path)
Create this object from a JSON file.
- Parameters
file_path (str) – The path to load the JSON from.
- Returns
The parsed class.
- Return type
cls
- classmethod get_attributes(attribute_type=None)
Returns all attributes of a specific attribute_type.
- Parameters
attribute_type (type of Attribute, optional) – The type of attribute to search for.
- Returns
The names of the attributes of the specified type.
- Return type
list of str
- json(file_path=None, format=False)
Creates a JSON representation of this class.
- validate(attribute_type=None)
Validate the values of the attributes. If attribute_type is set, only attributes of that type will be validated.
- Parameters
attribute_type (type of Attribute, optional) – The type of attribute to validate.
- Raises
ValueError or AssertionError –