Simulations Implementation¶

This page covers the internal architecture of the simulation toolkits for developers extending or maintaining them.

Package structure¶

hera/simulations/
    openFoam/
        toolkit.py             # OFToolkit — main OpenFOAM toolkit
        eulerian/
            abstractEulerianSolver.py  # Base for Eulerian solvers
            simpleFoam.py      # simpleFoam solver interface
            buoyantReactingFoam.py     # buoyantReactingFoam solver
            NavierStokes.old/  # Legacy Navier-Stokes (preprocess, postprocess, GUI)
        lagrangian/
            LSM/
                toolkit.py     # OFLSMToolkit — OpenFOAM + LSM coupling
        preprocessOFObjects/   # Mesh and case preprocessing utilities
        postProcess/
            VTKPipeline.py     # VTK post-processing pipeline
            VTKPipelineExecutionContext.py
    LSM/
        toolkit.py             # LSMToolkit — Lagrangian Stochastic Model
        singleSimulation.py    # Single LSM simulation handler
        template.py            # LSM template management
        hermesWorkflowToolkit.py  # LSM workflow integration
        CLI.py                 # hera-LSM CLI entry points
    gaussian/
        toolkit.py             # gaussianToolkit — Gaussian dispersion
    windProfile/
        toolkit.py             # WindProfileToolkit — vertical wind profiles
    machineLearningDeepLearning/
        toolkit.py             # ML/DL toolkit
        torch/
            modelContainer.py  # PyTorch model container
    hermesWorkflowToolkit.py   # hermesWorkflowToolkit — workflow management
    evaporation/               # Evaporation models
    deposition/
        models.py              # Particle deposition models
    hydrodynamics/
        nearWallFlow.py        # Near-wall flow calculations
    WRF/
        wrfDatalayer.py        # WRF weather model data layer
    utils/
        interpolations.py      # Spatial interpolation
        coordinateHandler.py   # Coordinate transformations
        canopyWindProfile.py   # Canopy wind profile model
        inputForModelsCreation.py  # Model input generation

Toolkit sub-pages¶

OpenFOAM toolkit — Overall design, solvers, workflows, VTK pipeline, templates
LSM toolkit — Lagrangian Stochastic Model architecture
Gaussian dispersion toolkit — Gaussian puff/plume models
Wind profile toolkit — Vertical wind profile modeling
Hermes workflow toolkit — Workflow pipeline base class
Machine Learning / Deep Learning toolkit — ML/DL model management

Adding a new simulation toolkit¶

Create a new module under hera/simulations/<domain>/
Inherit from abstractToolkit (or hermesWorkflowToolkit for workflow support)
Set toolkitName in __init__
Add _analysis and _presentation layers as needed
Register in ToolkitHome._toolkits dict in hera/toolkit.py

For the full API, see the Simulations API Reference.