Material

Material

Bases: PrimaryBaseNode

Definition

A Material node is a collection of the properties of a chemical, mixture, or substance.

Attributes

attribute	type	example	description	required	vocab
component	list[Material]		list of component that make up the mixture
property	list[Property]		material properties
process	Process		process node that made this material
parent_material	Material		material node that this node was copied from
computational_forcefield	Computation Forcefield		computation forcefield	Conditional
keyword	list[str]	[thermoplastic, homopolymer, linear, polyolefins]	words that classify the material		True
notes	str	"my awesome notes"	miscellaneous information, or custom data structure		True
amino_acid	str	"LeuProHis"	if the material is an amino acid sequence, list it.	Conditional
bigsmiles	str	"CC{[$][]CC[$][]}"	BigSMILES string for polymer	Conditional
chem_formula	str	"C22H33NO10"	Chemical formula of the material or monomer	Conditional
chem_repeat	str	"C=Cc1ccccc1"	Chemical formula of the repeat unit	Conditional
chemical_id	str	"126094"	Unique chemical ID	Conditional
inchi	str	"InChI=1S/H2O/h1H2"	InChI string of the chemical	Conditional
inchi_key	str	"XLYOFNOQVPJJNP-UHFFFAOYSA-N"	InChI key of the chemical	Conditional
lot_number	str	"123"	Lot number of the chemical	Conditional
names	list[str]	["water", "Hydrogen oxide"]	Alternative names that are being used	Conditional
pubchem_cid	int	962	PubChemID of the chemical	Conditional
smiles	str	"O"	Smiles string of the chemical	Conditional
vendor	str	"fisher scientific"	Vendor the chemical was purchased from	Conditional

Navigating to Material

Materials can be easily found on the CRIPT home screen in the under the navigation within the Materials link

Available Sub-Objects for Material

• Property
• Computational_forcefield

Example

water, brine (water + NaCl), polystyrene, polyethylene glycol hydrogels, vulcanized polyisoprene, mcherry (protein), and mica

Warnings

Material names

Material names Must be unique within a Project

  {
     "node":["Material"],
     "name":"my unique material name",
     "uid":"_:9679ff12-f9b4-41f4-be95-080b78fa71fd",
     "uuid":"9679ff12-f9b4-41f4-be95-080b78fa71fd"
     "bigsmiles":"[H]{[>][<]C(C[>])c1ccccc1[]}",
  }

Source code in src/cript/nodes/primary_nodes/material.py

class Material(PrimaryBaseNode):
    """
    ## Definition
    A [Material node](https://pubs.acs.org/doi/suppl/10.1021/acscentsci.3c00011/suppl_file/oc3c00011_si_001.pdf#page=10)
    is a collection of the properties of a chemical, mixture, or substance.

    ## Attributes
    | attribute                 | type                                                                 | example                                           | description                                         | required    | vocab |
    |---------------------------|----------------------------------------------------------------------|---------------------------------------------------|-----------------------------------------------------|-------------|-------|
    | component                 | list[[Material](./)]                                                 |                                                   | list of component that make up the mixture          |             |       |
    | property                  | list[[Property](../../subobjects/property)]                          |                                                   | material properties                                 |             |       |
    | process                   | [Process](../process)                                                |                                                   | process node that made this material                |             |       |
    | parent_material           | [Material](./)                                                       |                                                   | material node that this node was copied from        |             |       |
    | computational_forcefield  | [Computation  Forcefield](../../subobjects/computational_forcefield) |                                                   | computation forcefield                              | Conditional |       |
    | keyword                   | list[str]                                                            | [thermoplastic, homopolymer, linear, polyolefins] | words that classify the material                    |             | True  |
    | notes                     | str                                                                  | "my awesome notes"                                | miscellaneous information, or custom data structure |             | True  |
    | amino_acid                | str                                                                  | "LeuProHis"                                       | if the material is an amino acid sequence, list it. | Conditional |       |
    | bigsmiles                 | str                                                                  | "CC{[$][$]CC[$][]}"                               | BigSMILES string for polymer                        | Conditional |       |
    | chem_formula              | str                                                                  | "C22H33NO10"                                      | Chemical formula of the material or monomer        | Conditional |       |
    | chem_repeat               | str                                                                  | "C=Cc1ccccc1"                                     | Chemical formula of the repeat unit                | Conditional |       |
    | chemical_id               | str                                                                  | "126094"                                          | Unique chemical ID                                  | Conditional |       |
    | inchi                     | str                                                                  | "InChI=1S/H2O/h1H2"                               | InChI string of the chemical                        | Conditional |       |
    | inchi_key                 | str                                                                  | "XLYOFNOQVPJJNP-UHFFFAOYSA-N"                     | InChI key of the chemical                           | Conditional |       |
    | lot_number                | str                                                                  | "123"                                             | Lot number of the chemical                          | Conditional |       |
    | names                     | list[str]                                                            | ["water", "Hydrogen oxide"]                       | Alternative names that are being used               | Conditional |       |
    | pubchem_cid               | int                                                                  | 962                                               | PubChemID of the chemical                           | Conditional |       |
    | smiles                    | str                                                                  | "O"                                               | Smiles string of the chemical                       | Conditional |       |
    | vendor                    | str                                                                  | "fisher scientific"                               | Vendor the chemical was purchased from              | Conditional |       |


    ## Navigating to Material
    Materials can be easily found on the [CRIPT](https://app.criptapp.org) home screen in the
    under the navigation within the [Materials link](https://app.criptapp.org/material/)

    ## Available Sub-Objects for Material
    * [Property](../../subobjects/property)
    * [Computational_forcefield](../../subobjects/computational_forcefield)

    Example
    -------
     water, brine (water + NaCl), polystyrene, polyethylene glycol hydrogels, vulcanized polyisoprene, mcherry (protein), and mica


    Warnings
    -------
    !!! warning "Material names"
        Material names Must be unique within a [Project](../project)

    ```json
      {
         "node":["Material"],
         "name":"my unique material name",
         "uid":"_:9679ff12-f9b4-41f4-be95-080b78fa71fd",
         "uuid":"9679ff12-f9b4-41f4-be95-080b78fa71fd"
         "bigsmiles":"[H]{[>][<]C(C[>])c1ccccc1[]}",
      }
    ```
    """

    @dataclass(frozen=True)
    class JsonAttributes(PrimaryBaseNode.JsonAttributes):
        """
        all Material attributes
        """

        # TODO add proper typing in future, using Any for now to avoid circular import error
        component: List[Union["Material", UIDProxy]] = field(default_factory=list)
        process: Optional[Union[Process, UIDProxy]] = None
        property: List[Union[Any, UIDProxy]] = field(default_factory=list)
        parent_material: Optional[Union["Material", UIDProxy]] = None
        computational_forcefield: Optional[Union[Any, UIDProxy]] = None
        keyword: List[str] = field(default_factory=list)
        amino_acid: Optional[str] = None
        bigsmiles: Optional[str] = None
        chem_formula: Optional[str] = None
        chem_repeat: List[str] = field(default_factory=list)
        chemical_id: Optional[str] = None
        inchi: Optional[str] = None
        inchi_key: Optional[str] = None
        lot_number: Optional[str] = None
        names: List[str] = field(default_factory=list)
        pubchem_cid: Optional[int] = None
        smiles: Optional[str] = None
        vendor: Optional[str] = None

    _json_attrs: JsonAttributes = JsonAttributes()

    @beartype
    def __init__(
        self,
        name: str,
        component: Optional[List[Union["Material", UIDProxy]]] = None,
        process: Optional[Union[Process, UIDProxy]] = None,
        property: Optional[List[Union[Any, UIDProxy]]] = None,
        parent_material: Optional[Union["Material", UIDProxy]] = None,
        computational_forcefield: Optional[Union[Any, UIDProxy]] = None,
        keyword: Optional[List[str]] = None,
        amino_acid: Optional[str] = None,
        bigsmiles: Optional[str] = None,
        chem_formula: Optional[str] = None,
        chem_repeat: Optional[List[str]] = None,
        chemical_id: Optional[str] = None,
        inchi: Optional[str] = None,
        inchi_key: Optional[str] = None,
        lot_number: Optional[str] = None,
        names: Optional[List[str]] = None,
        pubchem_cid: Optional[int] = None,
        smiles: Optional[str] = None,
        vendor: Optional[str] = None,
        notes: str = "",
        **kwargs
    ):
        """
        create a material node

        Examples
        --------
        >>> import cript
        >>> my_material = cript.Material(
        ...     name="my component material 1",
        ...     amino_acid = "component 1 alternative name",
        ... )

        Parameters
        ----------
        name: str
        component: List["Material"], default=None
        property: Optional[Process], default=None
        process: List[Process], default=None
        parent_material: "Material", default=None
        computational_forcefield: ComputationalForcefield, default=None
        keyword: List[str], default=None
        amino_acid: Optional[str] = None,
        bigsmiles: Optional[str] = None,
        chem_formula: Optional[str] = None,
        chem_repeat: Optional[List[str]] = None,
        chemical_id: Optional[str] = None,
        inchi: Optional[str] = None,
        inchi_key: Optional[str] = None,
        lot_number: Optional[str] = None,
        names: Optional[List[str]] = None,
        pubchem_cid: Optional[int] = None,
        smiles: Optional[str] = None,
        vendor: Optional[str] = None,

        Returns
        -------
        None
            Instantiate a material node
        """

        super().__init__(name=name, notes=notes, **kwargs)

        if component is None:
            component = []

        if property is None:
            property = []

        if keyword is None:
            keyword = []

        if chem_repeat is None:
            chem_repeat = []

        if names is None:
            names = []

        new_json_attrs = replace(
            self._json_attrs,
            name=name,
            component=component,
            process=process,
            property=property,
            parent_material=parent_material,
            computational_forcefield=computational_forcefield,
            keyword=keyword,
            amino_acid=amino_acid,
            bigsmiles=bigsmiles,
            chem_formula=chem_formula,
            chem_repeat=chem_repeat,
            chemical_id=chemical_id,
            inchi=inchi,
            inchi_key=inchi_key,
            lot_number=lot_number,
            names=names,
            pubchem_cid=pubchem_cid,
            smiles=smiles,
            vendor=vendor,
        )
        self._update_json_attrs_if_valid(new_json_attrs)

    def validate(self, api=None, is_patch: bool = False, force_validation: bool = False) -> None:
        super().validate(api=api, is_patch=is_patch, force_validation=force_validation)

        if (
            self.amino_acid is None
            and self.bigsmiles is None
            and self.chem_formula is None
            and len(self.chem_repeat) == 0
            and self.chemical_id is None
            and self.inchi_key is None
            and self.inchi is None
            and self.lot_number is None
            and len(self.names) == 0
            and self.pubchem_cid is None
            and self.smiles is None
            and self.vendor is None
        ):
            warnings.warn(CRIPTMaterialIdentifierWarning(self))

    @property
    @beartype
    def amino_acid(self) -> Union[str, None]:
        return self._json_attrs.amino_acid

    @amino_acid.setter
    @beartype
    def amino_acid(self, new_amino_acid: str) -> None:
        new_attrs = replace(self._json_attrs, amino_acid=new_amino_acid)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def bigsmiles(self) -> Union[str, None]:
        return self._json_attrs.bigsmiles

    @bigsmiles.setter
    @beartype
    def bigsmiles(self, new_bigsmiles: str) -> None:
        new_attrs = replace(self._json_attrs, bigsmiles=new_bigsmiles)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def chem_formula(self) -> Union[str, None]:
        return self._json_attrs.chem_formula

    @chem_formula.setter
    @beartype
    def chem_formula(self, new_chem_formula: str) -> None:
        new_attrs = replace(self._json_attrs, chem_formula=new_chem_formula)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def chemical_id(self) -> Union[str, None]:
        return self._json_attrs.chemical_id

    @chemical_id.setter
    @beartype
    def chemical_id(self, new_chemical_id: str) -> None:
        new_attrs = replace(self._json_attrs, chemical_id=new_chemical_id)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def inchi(self) -> Union[str, None]:
        return self._json_attrs.inchi

    @inchi.setter
    @beartype
    def inchi(self, new_inchi: str) -> None:
        new_attrs = replace(self._json_attrs, inchi=new_inchi)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def inchi_key(self) -> Union[str, None]:
        return self._json_attrs.inchi_key

    @inchi_key.setter
    @beartype
    def inchi_key(self, new_inchi_key: str) -> None:
        new_attrs = replace(self._json_attrs, inchi_key=new_inchi_key)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def lot_number(self) -> Union[str, None]:
        return self._json_attrs.lot_number

    @lot_number.setter
    @beartype
    def lot_number(self, new_lot_number: str) -> None:
        new_attrs = replace(self._json_attrs, lot_number=new_lot_number)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def smiles(self) -> Union[str, None]:
        return self._json_attrs.smiles

    @smiles.setter
    @beartype
    def smiles(self, new_smiles: str) -> None:
        new_attrs = replace(self._json_attrs, smiles=new_smiles)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def vendor(self) -> Union[str, None]:
        return self._json_attrs.vendor

    @vendor.setter
    @beartype
    def vendor(self, new_vendor: str) -> None:
        new_attrs = replace(self._json_attrs, vendor=new_vendor)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def chem_repeat(self) -> List[str]:
        return self._json_attrs.chem_repeat.copy()

    @chem_repeat.setter
    @beartype
    def chem_repeat(self, new_chem_repeat: List[str]) -> None:
        new_attrs = replace(self._json_attrs, chem_repeat=new_chem_repeat)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def names(self) -> List[str]:
        return self._json_attrs.names.copy()

    @names.setter
    @beartype
    def names(self, new_names: List[str]) -> None:
        new_attrs = replace(self._json_attrs, names=new_names)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def pubchem_cid(self) -> Union[int, None]:
        return self._json_attrs.pubchem_cid

    @pubchem_cid.setter
    @beartype
    def pubchem_cid(self, new_pubchem_cid: int) -> None:
        new_attrs = replace(self._json_attrs, pubchem_cid=new_pubchem_cid)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def component(self) -> List[Union["Material", UIDProxy]]:
        """
        list of components ([material nodes](./)) that make up this material

        Examples
        ---------
        >>> import cript
        >>> my_components = [
        ...     cript.Material(
        ...         name="my component material 1",
        ...         smiles="my material smiles",
        ...     ),
        ...     cript.Material(
        ...         name="my component material 2",
        ...         vendor= "my material vendor",
        ...     ),
        ... ]
        >>> my_mixed_material = cript.Material(
        ...     name="my material",
        ...     component=my_components,
        ...     bigsmiles = "123456",
        ... )

        Returns
        -------
        List[Material]
            list of component that make up this material
        """
        return self._json_attrs.component

    @component.setter
    @beartype
    def component(self, new_component_list: List[Union["Material", UIDProxy]]) -> None:
        """
        set the list of component (material nodes) that make up this material

        Parameters
        ----------
        new_component_list: List["Material"]

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

    @property
    @beartype
    def parent_material(self) -> Optional[Union["Material", UIDProxy]]:
        """
        List of parent materials

        Returns
        -------
        List["Material"]
            list of parent materials
        """
        return self._json_attrs.parent_material

    @parent_material.setter
    @beartype
    def parent_material(self, new_parent_material: Optional[Union["Material", UIDProxy]]) -> None:
        """
        set the [parent materials](./) for this material

        Parameters
        ----------
        new_parent_material: "Material"

        Returns
        -------
        None
        """

        new_attrs = replace(self._json_attrs, parent_material=new_parent_material)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def computational_forcefield(self) -> Any:
        """
        list of [computational_forcefield](../../subobjects/computational_forcefield) for this material node

        Examples
        --------
        >>> import cript
        >>> my_material = cript.Material(
        ...     name="my component material 1", smiles= "my smiles"
        ... )
        >>> my_computational_forcefield = cript.ComputationalForcefield(
        ...     key="opls_aa",
        ...     building_block="atom",
        ... )
        >>> my_material.computational_forcefield = my_computational_forcefield

        Returns
        -------
        List[ComputationForcefield]
            list of computational_forcefield that created this material
        """
        return self._json_attrs.computational_forcefield

    @computational_forcefield.setter
    @beartype
    def computational_forcefield(self, new_computational_forcefield: Any) -> None:
        """
        sets the list of computational forcefields for this material

        Parameters
        ----------
        new_computation_forcefield: ComputationalForcefield

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, computational_forcefield=new_computational_forcefield)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def keyword(self) -> List[str]:
        """
        List of keyword for this material

        the material keyword must come from the
        [CRIPT controlled vocabulary](https://app.criptapp.org/vocab/material_keyword)

        Examples
        --------
        >>> import cript
        >>> my_material = cript.Material(
        ... name="my material", inchi = "my material inchi"
        ... )
        >>> my_material.keyword = ["acetylene", "acrylate", "alternating"]

        Returns
        -------
        List[str]
            list of material keyword
        """
        return self._json_attrs.keyword

    @keyword.setter
    @beartype
    def keyword(self, new_keyword_list: List[str]) -> None:
        """
        set the keyword for this material

        the material keyword must come from the CRIPT controlled vocabulary

        Parameters
        ----------
        new_keyword_list

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, keyword=new_keyword_list)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    @beartype
    def process(self) -> Optional[Union[Process, UIDProxy]]:
        return self._json_attrs.process  # type: ignore

    @process.setter
    def process(self, new_process: Union[Process, UIDProxy]) -> None:
        new_attrs = replace(self._json_attrs, process=new_process)
        self._update_json_attrs_if_valid(new_attrs)

    @property
    def property(self) -> List[Any]:
        """
        list of material [property](../../subobjects/property)

        Examples
        --------
        >>> import cript
        >>> my_material = cript.Material(
        ...     name="my component material 1",
        ...     smiles = "component 1 smiles",
        ... )
        >>> my_property = cript.Property(key="enthalpy", type="min", value=1.23, unit="J")
        >>> my_material.property = [my_property]

        Returns
        -------
        List[Property]
            list of property that define this material
        """
        return self._json_attrs.property.copy()

    @property.setter
    @beartype
    def property(self, new_property_list: List[Any]) -> None:
        """
        set the list of properties for this material

        Parameters
        ----------
        new_property_list: List[Property]

        Returns
        -------
        None
        """
        new_attrs = replace(self._json_attrs, property=new_property_list)
        self._update_json_attrs_if_valid(new_attrs)

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

list of components (material nodes) that make up this material

Examples:

>>> import cript
>>> my_components = [
...     cript.Material(
...         name="my component material 1",
...         smiles="my material smiles",
...     ),
...     cript.Material(
...         name="my component material 2",
...         vendor= "my material vendor",
...     ),
... ]
>>> my_mixed_material = cript.Material(
...     name="my material",
...     component=my_components,
...     bigsmiles = "123456",
... )

Returns:

Type	Description
List[Material]	list of component that make up this material

computational_forcefield: Any property writable

list of computational_forcefield for this material node

Examples:

>>> import cript
>>> my_material = cript.Material(
...     name="my component material 1", smiles= "my smiles"
... )
>>> my_computational_forcefield = cript.ComputationalForcefield(
...     key="opls_aa",
...     building_block="atom",
... )
>>> my_material.computational_forcefield = my_computational_forcefield

Returns:

Type	Description
List[ComputationForcefield]	list of computational_forcefield that created this material

keyword: List[str] property writable

List of keyword for this material

the material keyword must come from the CRIPT controlled vocabulary

Examples:

>>> import cript
>>> my_material = cript.Material(
... name="my material", inchi = "my material inchi"
... )
>>> my_material.keyword = ["acetylene", "acrylate", "alternating"]

Returns:

Type	Description
List[str]	list of material keyword

parent_material: Optional[Union[Material, UIDProxy]] property writable

List of parent materials

Returns:

Type	Description
List[Material]	list of parent materials

property: List[Any] property writable

list of material property

Examples:

>>> import cript
>>> my_material = cript.Material(
...     name="my component material 1",
...     smiles = "component 1 smiles",
... )
>>> my_property = cript.Property(key="enthalpy", type="min", value=1.23, unit="J")
>>> my_material.property = [my_property]

Returns:

Type	Description
List[Property]	list of property that define this material

JsonAttributes dataclass

Bases: JsonAttributes

all Material attributes

Source code in src/cript/nodes/primary_nodes/material.py

@dataclass(frozen=True)
class JsonAttributes(PrimaryBaseNode.JsonAttributes):
    """
    all Material attributes
    """

    # TODO add proper typing in future, using Any for now to avoid circular import error
    component: List[Union["Material", UIDProxy]] = field(default_factory=list)
    process: Optional[Union[Process, UIDProxy]] = None
    property: List[Union[Any, UIDProxy]] = field(default_factory=list)
    parent_material: Optional[Union["Material", UIDProxy]] = None
    computational_forcefield: Optional[Union[Any, UIDProxy]] = None
    keyword: List[str] = field(default_factory=list)
    amino_acid: Optional[str] = None
    bigsmiles: Optional[str] = None
    chem_formula: Optional[str] = None
    chem_repeat: List[str] = field(default_factory=list)
    chemical_id: Optional[str] = None
    inchi: Optional[str] = None
    inchi_key: Optional[str] = None
    lot_number: Optional[str] = None
    names: List[str] = field(default_factory=list)
    pubchem_cid: Optional[int] = None
    smiles: Optional[str] = None
    vendor: Optional[str] = None

__init__(name, component=None, process=None, property=None, parent_material=None, computational_forcefield=None, keyword=None, amino_acid=None, bigsmiles=None, chem_formula=None, chem_repeat=None, chemical_id=None, inchi=None, inchi_key=None, lot_number=None, names=None, pubchem_cid=None, smiles=None, vendor=None, notes='', **kwargs)

create a material node

Examples:

>>> import cript
>>> my_material = cript.Material(
...     name="my component material 1",
...     amino_acid = "component 1 alternative name",
... )

Parameters:

Name	Type	Description	Default
name	str		required
component	Optional[List[Union[Material, UIDProxy]]]		None
property	Optional[List[Union[Any, UIDProxy]]]		None
process	Optional[Union[Process, UIDProxy]]		None
parent_material	Optional[Union[Material, UIDProxy]]		None
computational_forcefield	Optional[Union[Any, UIDProxy]]		None
keyword	Optional[List[str]]		None
amino_acid	Optional[str]		None
bigsmiles	Optional[str]		None
chem_formula	Optional[str]		None
chem_repeat	Optional[List[str]]		None
chemical_id	Optional[str]		None
inchi	Optional[str]		None
inchi_key	Optional[str]		None
lot_number	Optional[str]		None
names	Optional[List[str]]		None
pubchem_cid	Optional[int]		None
smiles	Optional[str]		None
vendor	Optional[str]		None

Returns:

Type	Description
None	Instantiate a material node

Source code in src/cript/nodes/primary_nodes/material.py

@beartype
def __init__(
    self,
    name: str,
    component: Optional[List[Union["Material", UIDProxy]]] = None,
    process: Optional[Union[Process, UIDProxy]] = None,
    property: Optional[List[Union[Any, UIDProxy]]] = None,
    parent_material: Optional[Union["Material", UIDProxy]] = None,
    computational_forcefield: Optional[Union[Any, UIDProxy]] = None,
    keyword: Optional[List[str]] = None,
    amino_acid: Optional[str] = None,
    bigsmiles: Optional[str] = None,
    chem_formula: Optional[str] = None,
    chem_repeat: Optional[List[str]] = None,
    chemical_id: Optional[str] = None,
    inchi: Optional[str] = None,
    inchi_key: Optional[str] = None,
    lot_number: Optional[str] = None,
    names: Optional[List[str]] = None,
    pubchem_cid: Optional[int] = None,
    smiles: Optional[str] = None,
    vendor: Optional[str] = None,
    notes: str = "",
    **kwargs
):
    """
    create a material node

    Examples
    --------
    >>> import cript
    >>> my_material = cript.Material(
    ...     name="my component material 1",
    ...     amino_acid = "component 1 alternative name",
    ... )

    Parameters
    ----------
    name: str
    component: List["Material"], default=None
    property: Optional[Process], default=None
    process: List[Process], default=None
    parent_material: "Material", default=None
    computational_forcefield: ComputationalForcefield, default=None
    keyword: List[str], default=None
    amino_acid: Optional[str] = None,
    bigsmiles: Optional[str] = None,
    chem_formula: Optional[str] = None,
    chem_repeat: Optional[List[str]] = None,
    chemical_id: Optional[str] = None,
    inchi: Optional[str] = None,
    inchi_key: Optional[str] = None,
    lot_number: Optional[str] = None,
    names: Optional[List[str]] = None,
    pubchem_cid: Optional[int] = None,
    smiles: Optional[str] = None,
    vendor: Optional[str] = None,

    Returns
    -------
    None
        Instantiate a material node
    """

    super().__init__(name=name, notes=notes, **kwargs)

    if component is None:
        component = []

    if property is None:
        property = []

    if keyword is None:
        keyword = []

    if chem_repeat is None:
        chem_repeat = []

    if names is None:
        names = []

    new_json_attrs = replace(
        self._json_attrs,
        name=name,
        component=component,
        process=process,
        property=property,
        parent_material=parent_material,
        computational_forcefield=computational_forcefield,
        keyword=keyword,
        amino_acid=amino_acid,
        bigsmiles=bigsmiles,
        chem_formula=chem_formula,
        chem_repeat=chem_repeat,
        chemical_id=chemical_id,
        inchi=inchi,
        inchi_key=inchi_key,
        lot_number=lot_number,
        names=names,
        pubchem_cid=pubchem_cid,
        smiles=smiles,
        vendor=vendor,
    )
    self._update_json_attrs_if_valid(new_json_attrs)