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CADET-Python

CADET-Python provides a file-based Python interface for CADET-Core, which must be installed separately. For this, please refer to the installation instructions and the CADET-Core repository.

The CADET-Python package simplifies access by mapping to the CADET interface, with all dataset names in lowercase.

Installation

To install CADET-Python, use:

pip install cadet-python

Usage Example

The package includes two primary classes:

  • CADET: The main class to configure and run simulations.
  • H5: A general-purpose HDF5 interface.

Setting Up a Simulation

To set a simulation parameter, such as the column porosity for column 1.

Referring to this path in the CADET interface:

/input/model/unit_001/COL_POROSITY

In CADET-Python, this is now set as:

from cadet import Cadet

# Initialize simulation
sim = Cadet()

# Set column porosity for unit 001
sim.root.input.model.unit_001.col_porosity = 0.33

Saving the Simulation File

Before running, save the simulation configuration to a file:

sim.filename = "/path/to/your/file.hdf5"
sim.save()

Setting the Path to CADET

To execute the simulation, specify the path to CADET-Core. On Windows, set the path to cadet-cli.exe:

sim.cadet_path = '/path/to/cadet-cli'

Running the Simulation and Loading Data

Run the simulation and load the output data with:

print(sim.run())
sim.load()

Reading Data from a Pre-Simulated File

If you have a pre-simulated file, you can read it directly:

# Initialize a new simulation object
sim = Cadet()

# Set the filename for the existing simulation data
sim.filename = "/path/to/your/file.hdf5"
sim.load()

At this point, any data in the file can be accessed.