qdk_chemistry.ui.config module

Configuration for the QDK/Chemistry MCP Server.

class qdk_chemistry.ui.config.QDKMCPConfig

Bases: object

Configuration class for QDK/Chemistry MCP Server.

In general, the agent will work in a dedicated project directory, where the directory structure is like:

scratch/projects/ ├── project1/ │ ├── water.structure.json │ ├── water.orbitals.json │ └── water.wavefunction.json ├── project2/ │ ├── n2.structure.json │ ├── n2.orbitals.json │ └── n2.wavefunction.json

__init__()

Initialize configuration with default values.

set_workspace_root(workspace_root)

Move default project, cache, and job storage into a workspace.

Parameters:

workspace_root (Path) – Bound workspace directory used as the storage root.

Raises:

OSError – If the workspace storage directories cannot be created.

Return type:

None