Property

Property

Bases: UUIDBaseNode

Definition

Property sub-objects are qualities/traits of a material or Process

---

Can Be Added To:

• Material
• Process
• Computation_Process

Available sub-objects:

• Condition
• Citation

---

Attributes

attribute	type	example	description	required	vocab
key	str	enthalpy	type of property	True	True
type	str	min	type of value stored	True	True
value	Any	1.23	value or quantity	True
unit	str	gram	unit for value	True
uncertainty	Number	0.1	uncertainty of value
uncertainty_type	str	standard_deviation	type of uncertainty		True
component	list[Material]		material that the property relates to**
structure	str	{[][$][C:1][C:1][$]	specific chemical structure associate with the property with atom mappings**
method	str	sec	approach or source of property data		True
sample_preparation	Process		sample preparation
condition	list[Condition]		conditions under which the property was measured
data	Data		data node
computation	list[Computation]		computation method that produced property
citation	list[Citation]		reference to a book, paper, or scholarly work
notes	str		miscellaneous information, or custom data structure (e.g.; JSON)

JSON Representation

{
   "key":"enthalpy",
   "node":["Property"],
   "type":"value",
   "unit":"J",
   "value":5.0
   "uid":"_:bc3abb68-25b5-4144-aa1b-85d82b7c77e1",
   "uuid":"bc3abb68-25b5-4144-aa1b-85d82b7c77e1",
}

Source code in src/cript/nodes/subobjects/property.py

class Property(UUIDBaseNode):
    """
    ## Definition
    [Property](https://pubs.acs.org/doi/suppl/10.1021/acscentsci.3c00011/suppl_file/oc3c00011_si_001.pdf#page=18)
    sub-objects are qualities/traits of a [material](../../primary_nodes/material) or
    [Process](../../primary_nodes/process)

    ---

    ## Can Be Added To:
    * [Material](../../primary_nodes/material)
    * [Process](../../primary_nodes/process)
    * [Computation_Process](../../primary_nodes/computation_process)

    ## Available sub-objects:
    * [Condition](../condition)
    * [Citation](../citation)

    ---

    ## Attributes

    | attribute          | type              | example                                 | description                                                                  | required | vocab |
    |--------------------|-------------------|-----------------------------------------|------------------------------------------------------------------------------|----------|-------|
    | key                | str               | enthalpy                                | type of property                                                             | True     | True  |
    | type               | str               | min                                     | type of value stored                                                         | True     | True  |
    | value              | Any               | 1.23                                    | value or quantity                                                            | True     |       |
    | unit               | str               | gram                                    | unit for value                                                               | True     |       |
    | uncertainty        | Number            | 0.1                                     | uncertainty of value                                                         |          |       |
    | uncertainty_type   | str               | standard_deviation                      | type of uncertainty                                                          |          | True  |
    | component          | list[Material]    |                                         | material that the property relates to**                                      |          |       |
    | structure          | str               | {\\[\\]\\[$\\]\\[C:1\\]\\[C:1\\]\\[$\\] | specific chemical structure associate with the property with atom mappings** |          |       |
    | method             | str               | sec                                     | approach or source of property data                                          |          | True  |
    | sample_preparation | Process           |                                         | sample preparation                                                           |          |       |
    | condition          | list[Condition]   |                                         | conditions under which the property was measured                             |          |       |
    | data               | Data              |                                         | data node                                                                    |          |       |
    | computation        | list[Computation] |                                         | computation method that produced property                                    |          |       |
    | citation           | list[Citation]    |                                         | reference to a book, paper, or scholarly work                                |          |       |
    | notes              | str               |                                         | miscellaneous information, or custom data structure (e.g.; JSON)             |          |       |


    ## JSON Representation
    ```json
    {
       "key":"enthalpy",
       "node":["Property"],
       "type":"value",
       "unit":"J",
       "value":5.0
       "uid":"_:bc3abb68-25b5-4144-aa1b-85d82b7c77e1",
       "uuid":"bc3abb68-25b5-4144-aa1b-85d82b7c77e1",
    }
    ```
    """

    @dataclass(frozen=True)
    class JsonAttributes(UUIDBaseNode.JsonAttributes):
        key: str = ""
        type: str = ""
        value: Union[Number, str, None] = None
        unit: Optional[str] = ""
        uncertainty: Optional[Number] = None
        uncertainty_type: str = ""
        component: List[Union[Material, UIDProxy]] = field(default_factory=list)
        structure: str = ""
        method: str = ""
        sample_preparation: Optional[Union[Process, UIDProxy]] = None
        condition: List[Union[Condition, UIDProxy]] = field(default_factory=list)
        data: List[Union[Data, UIDProxy]] = field(default_factory=list)
        computation: List[Union[Computation, UIDProxy]] = field(default_factory=list)
        citation: List[Union[Citation, UIDProxy]] = field(default_factory=list)
        notes: str = ""

    _json_attrs: JsonAttributes = JsonAttributes()

    @beartype
    def __init__(
        self,
        key: str,
        type: str,
        value: Union[Number, str, None],
        unit: Union[str, None],
        uncertainty: Optional[Number] = None,
        uncertainty_type: str = "",
        component: Optional[List[Union[Material, UIDProxy]]] = None,
        structure: str = "",
        method: str = "",
        sample_preparation: Optional[Union[Process, UIDProxy]] = None,
        condition: Optional[List[Union[Condition, UIDProxy]]] = None,
        data: Optional[List[Union[Data, UIDProxy]]] = None,
        computation: Optional[List[Union[Computation, UIDProxy]]] = None,
        citation: Optional[List[Union[Citation, UIDProxy]]] = None,
        notes: str = "",
        **kwargs
    ):
        """
        create a property sub-object

        Parameters
        ----------
        key : str
            type of property, Property key must come from the CRIPT Controlled Vocabulary
        type : str
            type of value stored, Property type must come from the CRIPT Controlled Vocabulary
        value : Union[Number, None]
            value or quantity
        unit : str
            unit for value
        uncertainty : Union[Number, None], optional
            uncertainty value of the value, by default None
        uncertainty_type : str, optional
            type of uncertainty, by default ""
        component : Union[List[Material], None], optional
            List of Material nodes, by default None
        structure : str, optional
            specific chemical structure associate with the property with atom mappings**, by default ""
        method : str, optional
            approach or source of property data, by default ""
        sample_preparation : Union[Process, None], optional
            sample preparation, by default None
        condition : Union[List[Condition], None], optional
            conditions under which the property was measured, by default None
        data : Union[List[Data], None], optional
            Data node, by default None
        computation : Union[List[Computation], None], optional
            computation method that produced property, by default None
        citation : Union[List[Citation], None], optional
            reference scholarly work, by default None
        notes : str, optional
            miscellaneous information, or custom data structure (e.g.; JSON), by default ""


        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")

        Returns
        -------
        None
            create a Property sub-object
        """
        if component is None:
            component = []
        if condition is None:
            condition = []
        if computation is None:
            computation = []
        if data is None:
            data = []
        if citation is None:
            citation = []

        super().__init__(**kwargs)
        new_json_attrs = replace(
            self._json_attrs,
            key=key,
            type=type,
            value=value,
            unit=unit,
            uncertainty=uncertainty,
            uncertainty_type=uncertainty_type,
            component=component,
            structure=structure,
            method=method,
            sample_preparation=sample_preparation,
            condition=condition,
            data=data,
            computation=computation,
            citation=citation,
            notes=notes,
        )
        self._update_json_attrs_if_valid(new_json_attrs)

    @property
    @beartype
    def key(self) -> str:
        """
        Property key must come from [CRIPT Controlled Vocabulary](https://app.criptapp.org/vocab/)

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.key = "angle_rdist"

        Returns
        -------
        str
            Property Key
        """
        return self._json_attrs.key

    @key.setter
    @beartype
    def key(self, new_key: str) -> None:
        """
        set the key for this Property sub-object

        Parameters
        ----------
        new_key : str
            new Property key

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, key=new_key)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def type(self) -> str:
        """
        type of value for this Property sub-object

        [property type](https://app.criptapp.org/vocab/) must come from CRIPT controlled vocabulary

        Examples
        ---------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.type = "max"

        Returns
        -------
        str
            type of value for this Property sub-object
        """
        return self._json_attrs.type

    @type.setter
    @beartype
    def type(self, new_type: str) -> None:
        """
        set the Property type for this subobject

        Parameters
        ----------
        new_type : str
            new Property type

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, type=new_type)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def value(self) -> Union[Number, str, None]:
        """
        get the Property value

        Returns
        -------
        Union[Number, None]
            Property value
        """
        return self._json_attrs.value

    @beartype
    def set_value(self, new_value: Union[Number, str, None], new_unit: str) -> None:
        """
        set the value attribute of the Property subobject

        Examples
        ---------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.set_value(new_value=1, new_unit="gram")

        Parameters
        ----------
        new_value : Number
            new value
        new_unit : str
            new unit for the value

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, value=new_value, unit=new_unit)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def unit(self) -> Optional[str]:
        """
        get the Property unit for the value

        Returns
        -------
        str
            unit
        """
        return self._json_attrs.unit

    @property
    @beartype
    def uncertainty(self) -> Union[Number, None]:
        """
        get the uncertainty value of the Property node

        Returns
        -------
        Union[Number, None]
            uncertainty value
        """
        return self._json_attrs.uncertainty

    @beartype
    def set_uncertainty(self, new_uncertainty: Optional[Number], new_uncertainty_type: str) -> None:
        """
        set the uncertainty value and type

        Uncertainty type must come from [CRIPT Controlled Vocabulary]

        Parameters
        ----------
        new_uncertainty : Number
            new uncertainty value
        new_uncertainty_type : str
            new uncertainty type

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.set_uncertainty(new_uncertainty=2, new_uncertainty_type="fwhm")

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, uncertainty=new_uncertainty, uncertainty_type=new_uncertainty_type)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def uncertainty_type(self) -> str:
        """
        get the uncertainty_type for this Property subobject

        [Uncertainty type](https://app.criptapp.org/vocab/uncertainty_type)
        must come from CRIPT Controlled Vocabulary

        Returns
        -------
        str
            Uncertainty type
        """
        return self._json_attrs.uncertainty_type

    @property
    @beartype
    def component(self) -> List[Union[Material, UIDProxy]]:
        """
        list of Materials that the Property relates to

        Examples
        ---------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_material = cript.Material(name="my material", bigsmiles = "123456")
        >>> my_property.component = [my_material]

        Returns
        -------
        List[Material]
            list of Materials that the Property relates to
        """
        return self._json_attrs.component.copy()

    @component.setter
    @beartype
    def component(self, new_component: List[Union[Material, UIDProxy]]) -> None:
        """
        set the list of Materials as components for the Property subobject

        Parameters
        ----------
        new_component : List[Material]
            new list of Materials to for the Property subobject

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, component=new_component)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def structure(self) -> str:
        """
        specific chemical structure associate with the property with atom mappings

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.structure = "{[][$][C:1][C:1][$],[$][C:2][C:2]([C:2])[$][]}"

        Returns
        -------
        str
            Property structure string
        """
        return self._json_attrs.structure

    @structure.setter
    @beartype
    def structure(self, new_structure: str) -> None:
        """
        set the this Property's structure

        Parameters
        ----------
        new_structure : str
            new structure

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, structure=new_structure)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def method(self) -> str:
        """
        approach or source of property data True sample_preparation Process sample preparation

        [Property method](https://app.criptapp.org/vocab/property_method) must come from CRIPT Controlled Vocabulary

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.method = "ASTM_D3574_Test_A"

        Returns
        -------
        str
            Property method
        """
        return self._json_attrs.method

    @method.setter
    @beartype
    def method(self, new_method: str) -> None:
        """
        set the Property method

        Parameters
        ----------
        new_method : str
            new Property method

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, method=new_method)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def sample_preparation(self) -> Union[Process, None, UIDProxy]:
        """
        sample_preparation

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_process = cript.Process(name="my process name", type="affinity_pure")
        >>> my_property.sample_preparation = my_process

        Returns
        -------
        Union[Process, None]
            Property linking back to the Process that has it as subobject
        """
        return self._json_attrs.sample_preparation

    @sample_preparation.setter
    @beartype
    def sample_preparation(self, new_sample_preparation: Union[Process, None, UIDProxy]) -> None:
        """
        set the sample_preparation for the Property subobject

        Parameters
        ----------
        new_sample_preparation : Union[Process, None]
            back link to the Process that has this Property as its subobject

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, sample_preparation=new_sample_preparation)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def condition(self) -> List[Union[Condition, UIDProxy]]:
        """
        list of Conditions under which the property was measured

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_condition = cript.Condition(key="atm", type="max", value=1)
        >>> my_property.condition = [my_condition]

        Returns
        -------
        List[Condition]
            list of Conditions
        """
        return self._json_attrs.condition.copy()

    @condition.setter
    @beartype
    def condition(self, new_condition: List[Union[Condition, UIDProxy]]) -> None:
        """
        set the list of Conditions for this property subobject

        Parameters
        ----------
        new_condition : List[Condition]
            new list of Condition Subobjects

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, condition=new_condition)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def data(self) -> List[Union[Data, UIDProxy]]:
        """
        List of Data nodes for this Property subobjects

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_file = cript.File(
        ...     name="my file node name",
        ...     source="https://criptapp.org",
        ...     type="calibration",
        ...     extension=".csv",
        ...     data_dictionary="my file's data dictionary",
        ... )
        >>> my_data = cript.Data(name="my data name", type="afm_amp", file=[my_file])
        >>> my_property.data = [my_data]

        Returns
        -------
        List[Data]
            list of Data nodes
        """
        return self._json_attrs.data.copy()

    @data.setter
    @beartype
    def data(self, new_data: List[Union[Data, UIDProxy]]) -> None:
        """
        set the Data node for the Property subobject

        Parameters
        ----------
        new_data : List[Data]
            new list of Data nodes

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, data=new_data)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def computation(self) -> List[Union[Computation, UIDProxy]]:
        """
        list of Computation nodes that produced this property

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_computation = cript.Computation(name="my computation name", type="analysis")
        >>> my_property.computation = [my_computation]

        Returns
        -------
        List[Computation]
            list of Computation nodes
        """
        return self._json_attrs.computation.copy()

    @computation.setter
    @beartype
    def computation(self, new_computation: List[Union[Computation, UIDProxy]]) -> None:
        """
        set the list of Computation nodes that produced this property

        Parameters
        ----------
        new_computation : List[Computation]
            new list of Computation nodes

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, computation=new_computation)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def citation(self) -> List[Union[Citation, UIDProxy]]:
        """
        list of Citation subobjects for this Property subobject

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> title = (
        ...     "Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: "
        ...     "Soft coarse grained Monte-Carlo Acceleration (SOMA)"
        ... )
        >>> my_reference = cript.Reference(
        ...     type="journal_article",
        ...     title=title,
        ...     author=["Ludwig Schneider", "Marcus Müller"],
        ...     journal="Computer Physics Communications",
        ...     publisher="Elsevier",
        ...     year=2019,
        ...     pages=[463, 476],
        ...     doi="10.1016/j.cpc.2018.08.011",
        ...     issn="0010-4655",
        ...     website="https://www.sciencedirect.com/science/article/pii/S0010465518303072",
        ... )
        >>> my_citation = cript.Citation(type="reference", reference=my_reference)
        >>> my_property.citation = [my_citation]

        Returns
        -------
        List[Citation]
            list of Citation subobjects for this Property subobject
        """
        return self._json_attrs.citation.copy()

    @citation.setter
    @beartype
    def citation(self, new_citation: List[Union[Citation, UIDProxy]]) -> None:
        """
        set the list of Citation subobjects for the Property subobject

        Parameters
        ----------
        new_citation : List[Citation]
            new list of Citation subobjects

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, citation=new_citation)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def notes(self) -> str:
        """
        notes for this Property subobject

        Examples
        --------
        >>> import cript
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
        >>> my_property.notes = "these are my notes"

        Returns
        -------
        str
            notes for this property subobject
        """
        return self._json_attrs.notes

    @notes.setter
    @beartype
    def notes(self, new_notes: str) -> None:
        """
        set the notes for this Property sub-object

        Parameters
        ----------
        new_notes : str
            new notes

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, notes=new_notes)
        self._update_json_attrs_if_valid(new_attrs)

citation: List[Union[Citation, UIDProxy]] property writable

list of Citation subobjects for this Property subobject

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> title = (
...     "Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: "
...     "Soft coarse grained Monte-Carlo Acceleration (SOMA)"
... )
>>> my_reference = cript.Reference(
...     type="journal_article",
...     title=title,
...     author=["Ludwig Schneider", "Marcus Müller"],
...     journal="Computer Physics Communications",
...     publisher="Elsevier",
...     year=2019,
...     pages=[463, 476],
...     doi="10.1016/j.cpc.2018.08.011",
...     issn="0010-4655",
...     website="https://www.sciencedirect.com/science/article/pii/S0010465518303072",
... )
>>> my_citation = cript.Citation(type="reference", reference=my_reference)
>>> my_property.citation = [my_citation]

Returns:

Type	Description
List[Citation]	list of Citation subobjects for this Property subobject

component: List[Union[Material, UIDProxy]] property writable

list of Materials that the Property relates to

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_material = cript.Material(name="my material", bigsmiles = "123456")
>>> my_property.component = [my_material]

Returns:

Type	Description
List[Material]	list of Materials that the Property relates to

computation: List[Union[Computation, UIDProxy]] property writable

list of Computation nodes that produced this property

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_computation = cript.Computation(name="my computation name", type="analysis")
>>> my_property.computation = [my_computation]

Returns:

Type	Description
List[Computation]	list of Computation nodes

condition: List[Union[Condition, UIDProxy]] property writable

list of Conditions under which the property was measured

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_condition = cript.Condition(key="atm", type="max", value=1)
>>> my_property.condition = [my_condition]

Returns:

Type	Description
List[Condition]	list of Conditions

data: List[Union[Data, UIDProxy]] property writable

List of Data nodes for this Property subobjects

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_file = cript.File(
...     name="my file node name",
...     source="https://criptapp.org",
...     type="calibration",
...     extension=".csv",
...     data_dictionary="my file's data dictionary",
... )
>>> my_data = cript.Data(name="my data name", type="afm_amp", file=[my_file])
>>> my_property.data = [my_data]

Returns:

Type	Description
List[Data]	list of Data nodes

key: str property writable

Property key must come from CRIPT Controlled Vocabulary

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.key = "angle_rdist"

Returns:

Type	Description
str	Property Key

method: str property writable

approach or source of property data True sample_preparation Process sample preparation

Property method must come from CRIPT Controlled Vocabulary

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.method = "ASTM_D3574_Test_A"

Returns:

Type	Description
str	Property method

notes: str property writable

notes for this Property subobject

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.notes = "these are my notes"

Returns:

Type	Description
str	notes for this property subobject

sample_preparation: Union[Process, None, UIDProxy] property writable

sample_preparation

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_process = cript.Process(name="my process name", type="affinity_pure")
>>> my_property.sample_preparation = my_process

Returns:

Type	Description
Union[Process, None]	Property linking back to the Process that has it as subobject

structure: str property writable

specific chemical structure associate with the property with atom mappings

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.structure = "{[][$][C:1][C:1][$],[$][C:2][C:2]([C:2])[$][]}"

Returns:

Type	Description
str	Property structure string

type: str property writable

type of value for this Property sub-object

property type must come from CRIPT controlled vocabulary

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.type = "max"

Returns:

Type	Description
str	type of value for this Property sub-object

uncertainty: Union[Number, None] property

get the uncertainty value of the Property node

Returns:

Type	Description
Union[Number, None]	uncertainty value

uncertainty_type: str property

get the uncertainty_type for this Property subobject

Uncertainty type must come from CRIPT Controlled Vocabulary

Returns:

Type	Description
str	Uncertainty type

unit: Optional[str] property

get the Property unit for the value

Returns:

Type	Description
str	unit

value: Union[Number, str, None] property

get the Property value

Returns:

Type	Description
Union[Number, None]	Property value

__init__(key, type, value, unit, uncertainty=None, uncertainty_type='', component=None, structure='', method='', sample_preparation=None, condition=None, data=None, computation=None, citation=None, notes='', **kwargs)

create a property sub-object

Parameters:

Name	Type	Description	Default
key	str	type of property, Property key must come from the CRIPT Controlled Vocabulary	required
type	str	type of value stored, Property type must come from the CRIPT Controlled Vocabulary	required
value	Union[Number, None]	value or quantity	required
unit	str	unit for value	required
uncertainty	Union[Number, None]	uncertainty value of the value, by default None	None
uncertainty_type	str	type of uncertainty, by default ""	''
component	Union[List[Material], None]	List of Material nodes, by default None	None
structure	str	specific chemical structure associate with the property with atom mappings**, by default ""	''
method	str	approach or source of property data, by default ""	''
sample_preparation	Union[Process, None]	sample preparation, by default None	None
condition	Union[List[Condition], None]	conditions under which the property was measured, by default None	None
data	Union[List[Data], None]	Data node, by default None	None
computation	Union[List[Computation], None]	computation method that produced property, by default None	None
citation	Union[List[Citation], None]	reference scholarly work, by default None	None
notes	str	miscellaneous information, or custom data structure (e.g.; JSON), by default ""	''

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")

Returns:

Type	Description
None	create a Property sub-object

Source code in src/cript/nodes/subobjects/property.py

@beartype
def __init__(
    self,
    key: str,
    type: str,
    value: Union[Number, str, None],
    unit: Union[str, None],
    uncertainty: Optional[Number] = None,
    uncertainty_type: str = "",
    component: Optional[List[Union[Material, UIDProxy]]] = None,
    structure: str = "",
    method: str = "",
    sample_preparation: Optional[Union[Process, UIDProxy]] = None,
    condition: Optional[List[Union[Condition, UIDProxy]]] = None,
    data: Optional[List[Union[Data, UIDProxy]]] = None,
    computation: Optional[List[Union[Computation, UIDProxy]]] = None,
    citation: Optional[List[Union[Citation, UIDProxy]]] = None,
    notes: str = "",
    **kwargs
):
    """
    create a property sub-object

    Parameters
    ----------
    key : str
        type of property, Property key must come from the CRIPT Controlled Vocabulary
    type : str
        type of value stored, Property type must come from the CRIPT Controlled Vocabulary
    value : Union[Number, None]
        value or quantity
    unit : str
        unit for value
    uncertainty : Union[Number, None], optional
        uncertainty value of the value, by default None
    uncertainty_type : str, optional
        type of uncertainty, by default ""
    component : Union[List[Material], None], optional
        List of Material nodes, by default None
    structure : str, optional
        specific chemical structure associate with the property with atom mappings**, by default ""
    method : str, optional
        approach or source of property data, by default ""
    sample_preparation : Union[Process, None], optional
        sample preparation, by default None
    condition : Union[List[Condition], None], optional
        conditions under which the property was measured, by default None
    data : Union[List[Data], None], optional
        Data node, by default None
    computation : Union[List[Computation], None], optional
        computation method that produced property, by default None
    citation : Union[List[Citation], None], optional
        reference scholarly work, by default None
    notes : str, optional
        miscellaneous information, or custom data structure (e.g.; JSON), by default ""


    Examples
    --------
    >>> import cript
    >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")

    Returns
    -------
    None
        create a Property sub-object
    """
    if component is None:
        component = []
    if condition is None:
        condition = []
    if computation is None:
        computation = []
    if data is None:
        data = []
    if citation is None:
        citation = []

    super().__init__(**kwargs)
    new_json_attrs = replace(
        self._json_attrs,
        key=key,
        type=type,
        value=value,
        unit=unit,
        uncertainty=uncertainty,
        uncertainty_type=uncertainty_type,
        component=component,
        structure=structure,
        method=method,
        sample_preparation=sample_preparation,
        condition=condition,
        data=data,
        computation=computation,
        citation=citation,
        notes=notes,
    )
    self._update_json_attrs_if_valid(new_json_attrs)

set_uncertainty(new_uncertainty, new_uncertainty_type)

set the uncertainty value and type

Uncertainty type must come from [CRIPT Controlled Vocabulary]

Parameters:

Name	Type	Description	Default
new_uncertainty	Number	new uncertainty value	required
new_uncertainty_type	str	new uncertainty type	required

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.set_uncertainty(new_uncertainty=2, new_uncertainty_type="fwhm")

Returns:

Type	Description
None

Source code in src/cript/nodes/subobjects/property.py

@beartype
def set_uncertainty(self, new_uncertainty: Optional[Number], new_uncertainty_type: str) -> None:
    """
    set the uncertainty value and type

    Uncertainty type must come from [CRIPT Controlled Vocabulary]

    Parameters
    ----------
    new_uncertainty : Number
        new uncertainty value
    new_uncertainty_type : str
        new uncertainty type

    Examples
    --------
    >>> import cript
    >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
    >>> my_property.set_uncertainty(new_uncertainty=2, new_uncertainty_type="fwhm")

    Returns
    -------
    None
    """
    new_attrs = replace(self._json_attrs, uncertainty=new_uncertainty, uncertainty_type=new_uncertainty_type)
    self._update_json_attrs_if_valid(new_attrs)

set_value(new_value, new_unit)

set the value attribute of the Property subobject

Examples:

>>> import cript
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
>>> my_property.set_value(new_value=1, new_unit="gram")

Parameters:

Name	Type	Description	Default
new_value	Number	new value	required
new_unit	str	new unit for the value	required

Returns:

Type	Description
None

Source code in src/cript/nodes/subobjects/property.py

@beartype
def set_value(self, new_value: Union[Number, str, None], new_unit: str) -> None:
    """
    set the value attribute of the Property subobject

    Examples
    ---------
    >>> import cript
    >>> my_property = cript.Property(key="enthalpy", type="min", value=1.00, unit="J")
    >>> my_property.set_value(new_value=1, new_unit="gram")

    Parameters
    ----------
    new_value : Number
        new value
    new_unit : str
        new unit for the value

    Returns
    -------
    None
    """
    new_attrs = replace(self._json_attrs, value=new_value, unit=new_unit)
    self._update_json_attrs_if_valid(new_attrs)