CADET is a python interface to the CADET chromatography simulator
Project description
CADET-Python is a file based Python interface for CADET. For this, CADET must be installed separately (see https://github.com/modsim/CADET).
CADET-Python almost exactly maps to the documented CADET interface except that all dataset names are lowercase. This simplifies using the interface.
To install CADET-Python simply
pip install cadet-python
Usage
This package includes the CADET
class and H5
class. H5
can be used as a simple generic HDF5 interface.
As an example look at setting column porosity for column 1. From the CADET manual, the path for this is:
/input/model/unit_001/COL_POROSITY
In the Python interface this becomes:
sim = Cadet()
sim.root.input.model.unit_001.col_porosity = 0.33
Once the simulation has been created it must be saved before it can be run.
sim.filename = "/path/to/where/you/want/the/file.hdf5"
sim.save()
Next the path to CADET needs to be set before a simulation can be run. If running on Microsoft Windows you need the path to cadet-cli.exe
sim.cadet_path = '/path/to/cadet-cli'
run the simulation and load the data
print(sim.run())
sim.load()
At this point any data can be read.
If you have a file you want to read that has already been simulated this is also easy to do.
sim = Cadet()
sim.filename = "/path/to/where/you/want/the/file.hdf5"
sim.load()
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