Data
Data
¶
Bases: PrimaryBaseNode
Definition¶
A Data node
node contains the meta-data to describe raw data that is beyond a single value, (i.e. n-dimensional data).
Each Data
node must be linked to a single Experiment
node.
Available Sub-Objects¶
Attributes¶
Attribute | Type | Example | Description | Required |
---|---|---|---|---|
name | str | "my_data_name" |
Name of the data node | True |
type | str | "nmr_h1" |
Pick from CRIPT data type controlled vocabulary | True |
file | List[File] | [file_1, file_2, file_3] |
list of file nodes | False |
sample_preparation | Process | False | ||
computation | List[Computation] | data produced from this Computation method | False | |
computation_process | Computational Process | data was produced from this computation process | False | |
material | List[Material] | materials with attributes associated with the data node | False | |
process | List[Process] | processes with attributes associated with the data node | False | |
citation | Citation | reference to a book, paper, or scholarly work | False | |
notes | str | "my awesome notes" | miscellaneous information, or custom data structure | False |
Examples:
>>> import cript
>>> 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])
JSON Representation¶
{
"name":"my data name",
"node":["Data"],
"type":"afm_amp",
"uid":"_:80b02470-73d0-416e-8d93-12fdf69e481a",
"uuid":"80b02470-73d0-416e-8d93-12fdf69e481a"
"file":[
{
"node":["File"],
"name":"my file node name",
"uid":"_:535779ea-0d1f-4b23-b3e8-60052f717307",
"uuid":"535779ea-0d1f-4b23-b3e8-60052f717307"
"type":"calibration",
"source":"https://criptapp.org",
"extension":".csv",
"data_dictionary":"my file's data dictionary",
}
]
}
Source code in src/cript/nodes/primary_nodes/data.py
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|
citation: List[Any]
property
writable
¶
List of citation within the data node
Examples:
>>> import cript
>>> import cript
>>> 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_reference = cript.Reference(type="journal_article", title="'Living' Polymers")
>>> my_citation = cript.Citation(type="derived_from", reference=my_reference)
>>> my_data.citation = [my_citation]
Returns:
Type | Description |
---|---|
List[Citation]
|
list of citations for this data node |
computation: List[Any]
property
writable
¶
list of computation nodes for this material node
Examples:
>>> import cript
>>> 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_computation = cript.Computation(name="my computation name", type="analysis")
>>> my_data.computation = [my_computation]
Returns:
Type | Description |
---|---|
None
|
list of computation nodes |
computation_process: Union[Any, None]
property
writable
¶
The computation_process for this data node
Examples:
>>> import cript
>>> 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_file_for_second_data_node = cript.File(
... name="my second file node name",
... source="https://criptapp.org",
... type="calibration",
... extension=".csv",
... data_dictionary="my file's data dictionary"
... )
>>> my_second_data_node = cript.Data(
... name="my data name",
... type="afm_amp",
... file=[my_file_for_second_data_node]
... )
>>> my_material = cript.Material(
... name="my material name",
... bigsmiles = "123456"
... )
>>> my_quantity = cript.Quantity(
... key="mass", value=11.2, unit="kg", uncertainty=0.2, uncertainty_type="stdev"
... )
>>> my_ingredient = cript.Ingredient(
... material=my_material,
... quantity=[my_quantity],
... keyword=["catalyst"],
... )
>>> my_computational_process = cript.ComputationProcess(
... name="my computational process node name",
... type="cross_linking",
... input_data=[my_second_data_node],
... ingredient=[my_ingredient],
... )
Returns:
Type | Description |
---|---|
ComputationalProcess
|
computational process node for this data node |
file: List[Any]
property
writable
¶
get the list of files for this data node
Examples:
>>> import cript
>>> 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_new_file = cript.File(
... name="my new file node name",
... source="path/to/local/file",
... type="calibration",
... extension=".csv",
... data_dictionary="my file's data dictionary"
... )
>>> my_data.file += [my_new_file]
Returns:
Type | Description |
---|---|
List[File]
|
list of files for this data node |
material: List[Any]
property
writable
¶
List of materials for this node
Examples:
>>> import cript
>>> 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_material = cript.Material(name="my material name", bigsmiles = "123456")
>>> my_data.material = [my_material]
Returns:
Type | Description |
---|---|
List[Material]
|
list of material |
process: List[Any]
property
writable
¶
list of Process nodes for this data node
Examples:
>>> import cript
>>> 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_process = cript.Process(name="my process name", type="affinity_pure")
>>> my_data.process = [my_process]
Notes
Please note that while the process attribute of the data node is currently set to Any
the software still expects a Process node in the data's process attribute
It is currently set to
Any
to avoid the circular import error
Returns:
Type | Description |
---|---|
List[Process]
|
list of process for the data node |
sample_preparation: Union[Any, None]
property
writable
¶
The sample preparation for this data node
Examples:
>>> import cript
>>> my_new_files = cript.File(
... name="my file node name",
... source="https://pubs.acs.org/doi/10.1021/acscentsci.3c00011",
... type="computation_config",
... extension=".pdf",
... data_dictionary="my data dictionary",
... )
>>> my_data = cript.Data(name="my data name", type="afm_amp", file=[my_new_files])
>>> my_sample_preparation = cript.Process(name="my sample preparation name", type="affinity_pure")
>>> my_data.sample_preparation = my_sample_preparation
Returns:
Name | Type | Description |
---|---|---|
sample_preparation |
Process
|
sample preparation for this data node |
type: str
property
writable
¶
The data type must come from CRIPT data type vocabulary
Examples:
>>> import cript
>>> 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_data.type = "nmr_h1"
Returns:
Type | Description |
---|---|
data type: str
|
data type for the data node must come from CRIPT controlled vocabulary |
JsonAttributes
dataclass
¶
Bases: JsonAttributes
all Data attributes
Source code in src/cript/nodes/primary_nodes/data.py
__init__(name, type, file, sample_preparation=None, computation=None, computation_process=None, material=None, process=None, citation=None, notes='', **kwargs)
¶
Examples:
>>> import cript
>>> my_file = cript.File(
... name="my file node name",
... source="https://pubs.acs.org/doi/suppl/10.1021/acscentsci.3c00011/suppl_file/oc3c00011_si_001.pdf",
... type="calibration",
... extension=".pdf",
... )
>>> my_data = cript.Data(
... name="my data node name",
... type="afm_amp",
... file=[my_file],
... )
Parameters:
Name | Type | Description | Default |
---|---|---|---|
name |
str
|
data node name |
required |
type |
str
|
data type must come from CRIPT controlled vocabulary |
required |
file |
List[Union[Any, UIDProxy]]
|
list of CRIPT file nodes within the data node |
required |
sample_preparation |
Union[Any, UIDProxy]
|
sample preparation |
None
|
computation |
Optional[List[Union[Any, UIDProxy]]]
|
data was produced from this computation method |
None
|
computation_process |
Optional[Union[Any, UIDProxy]]
|
data was produced from this computation process |
None
|
material |
Optional[List[Union[Any, UIDProxy]]]
|
materials with attributes associated with the data node |
None
|
process |
Optional[List[Union[Any, UIDProxy]]]
|
processes with attributes associated with the data node |
None
|
citation |
Optional[List[Union[Any, UIDProxy]]]
|
reference to a book, paper, or scholarly work |
None
|
notes |
str
|
miscellaneous information, or custom data structure |
''
|
kwargs |
used for deserializing JSON into Python SDK nodes |
{}
|
Returns:
Type | Description |
---|---|
None
|
|
Source code in src/cript/nodes/primary_nodes/data.py
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