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Parameter

Usage

  • Searches by name if the node doesn't exist it creates it otherwise updates it
  • Idempotent operation
  • Only one parameter with the same key can be added if any modifications are made subsequently after creation the parameter with the same key will be updated
from cript import *

param1 = Parameter(key="bond_type", value="1")
algorithm1 = Algorithm(key="advanced_sampling", type="analysis", parameter=[param1])
software1 = Software(name="Test", version="1.0")
soft1 = SoftwareConfiguration(software=software1, algorithm=algorithm1)
comp1 = Computation(name="comp1", type="MC", software_configuration=[soft1])
exp1 = Experiment(name="exp1", computation=[comp1])
col1=Collection(name="col1", experiment=[exp1])

proj = Project(
    name="CHANGE PROJECT NAME",
    collection=[col1]
)

print(proj)

Attributes

attribute type example description required vocab
key str key for identifier True Name
value any value True Value Type
unit str unit for parameter Conditional si_unit

Delete

Generic Deletion