Getting Started with ChemBuilder
Here is an example DBS file generation request.
Here is a request to generate a DBS file using a sample JSON file. The JSON file should list all the required fields.
Run a sample case using .DBS file
POST
https://api.olisystems.com/channel/dbs
Run .dbs file generation
Headers
Name | Type | Description |
---|---|---|
Authorization* | String | Bearer {{access_token}} |
Content-Type* | String | application/json |
JSON Request Payload Format:
Field description
params | required | type | description |
---|---|---|---|
thermodynamicFramework | ✔️ | String | OLI Thermodynamic Framework. Options: Aqueous (H+ ion) MSE-SRK (H3O+ ion) MSE (H3O+ ion) |
privateDatabanks | ❌ | Array of String | Array of Private Data Bank Codes. e.g. ["COR","CER"] |
modelName | ✔️ | String | Name of the Generated DBS File in OLI Cloud. |
phases | ✔️ | Array of String | Array of Strings Defining Included Phases:
|
inflows | ✔️ | Array of Object | The Array of JSON Objects Containing Valid Species Identities:
|
The 'liquid1' phase must always be included in the 'phases' array.
Example Program Demonstrating DBS Generation Process
Incorporate the following example in conjunction with the OLIAPI class provided in the Quickstart example.
Response (status = SUCCESS)
Upon successful generation of the chemistry file, the result output will include the Chemistry file ID, retrievable from the data.id field.
Save and Reuse the Output Chemistry File ID
The Chemistry Builder saves the chemistry model file on the cloud server upon successful execution, returning a file ID to the user. The file ID format resembles this example: 079e5204-d88f-41d9-a90d-07211c1e4ef1
Regenerate a chemistry model file only if the new calculation employs a different thermodynamic framework or if there are changes in chemical composition, allowed phases, redox conditions, or kinetics.
A chemistry model file can be reused in calculations as long as the chemistry remains unchanged.
Delete Chemistry File
You can delete your DBS files by providing the file ID. For more information, please refer to the 'delete-file' documentation.
Last updated