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Interface specifications

The CADET framework is designed to work on a file format structured into groups and datasets. This concept may be implemented by different file formats. At the moment, CADET natively supports HDF5 and XML as file formats. The choice is not limited to those two formats but can be extended as needed. In this section the general layout and structure of the file format is described.

File format versions

The file format may change and evolve over time as new features are added to the simulator. This manual describes the most recent file format version that is also set as default value in /meta/FILE_FORMAT (see Tab. Meta Group). The simulator assumes that the input file uses the most recent format version and does not update old files to the current standard.

• Introduction
  • Global structure
  • Notation and identifiers
  • Ordering of multi dimensional data
  • Section dependent model parameters
• Input Group
  • System of unit operations
    • Group /input/model
    • Group /input/model/connections
    • Group /input/model/connections/switch_XXX
    • Group /input/model/external/source_XXX - EXTFUN_TYPE = LINEAR_INTERP_DATA
    • Group /input/model/external/source_XXX - EXTFUN_TYPE = PIECEWISE_CUBIC_POLY
    • Group /input/model/solver
  • Unit Operations
    • Inlet
    • Outlet
    • General Rate Model
    • Lumped rate model with pores
    • Lumped Rate Model Without Pores
    • Two dimensional general rate model
    • Continuous stirred tank reactor model
  • Binding models
    • Externally dependent binding models
    • Non-binding components
    • Multiple particle types
  • Reaction models
    • Externally dependent reaction models
    • Multiple particle types
    • Group /input/model/unit_XXX/reaction - REACTION_MODEL = MASS_ACTION_LAW
  • Flux reconstruction methods
    • Group /input/model/unit_XXX/discretization/weno - WENO Parameters
  • Nonlinear solver for consistent initialization
    • Group /input/model/unit_XXX/discretization/consistency_solver - Nonlinear consistency solver paramters
  • Return data
    • Group /input/return
    • Group /input/return/unit_XXX
  • Parameter Sensitivities
    • Group /input/sensitivity
    • Group /input/sensitivity/param_XXX
  • Solver Configuration
    • Group /input/solver
    • Group /solver/time_integrator
    • Group /solver/sections
• Output Group
  • Group /output
  • Group /output/solution
  • Group /output/solution/unit_XXX
  • Group /output/sensitivity/param_XXX/unit_YYY
  • /output/coordinates/unit_XXX
• Meta Group