Algorithm
Usage
- Searches by name if the node doesn't exist it creates it otherwise updates it
- Idempotent operation
- Only one algorithm can be added if any modifications are made subsequently after creation the first algorithm in the software will be updated
from cript import *
algorithm1 = Algorithm(key="advanced_sampling", type="analysis")
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
| Keys |
Type |
Example |
Description |
Required |
Vocab |
| key |
str |
ensemble, thermo-barostat |
system configuration, algorithms used in a computation |
True |
Name |
| type |
str |
NPT for ensemble, Nose-Hoover for thermostat |
specific type of configuration, algorithm |
True |
Name |
| parameter |
list[Parameter] |
|
setup associated parameters |
|
|
| citation |
Citation |
|
reference to a book, paper, or scholarly work |
|
|
Delete
Generic Deletion