Metadata-Version: 2.1
Name: CADET-Python
Version: 0.14
Summary: CADET is a python interface to the CADET chromatography simulator
Home-page: https://github.com/modsim/CADET-Python
Author: William Heymann
Author-email: w.heymann@fz-juelich.de
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.7
Description-Content-Type: text/markdown

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()
```
