CADET is a python interface to the CADET chromatography simulator
Project description
CADET python is a file based python interface for CADET CADET still must be downloaded and built from https://github.com/modsim/CADET
CADET python almost exactly maps to the documented CADET interface except that all dataset names are lowercase. This simplifies useing the interface.
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 windows you need the path to cadet-cli.exe
sim.cadet_path = '/path/to/cadet-cli'
#next run the simulation
print(sim.run())
#load the data 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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