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https://github.com/cadet/cadet-python
File based Python interface
https://github.com/cadet/cadet-python
Last synced: 19 days ago
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File based Python interface
- Host: GitHub
- URL: https://github.com/cadet/cadet-python
- Owner: cadet
- License: bsd-3-clause
- Created: 2017-06-23T07:48:33.000Z (over 7 years ago)
- Default Branch: master
- Last Pushed: 2024-11-28T19:00:11.000Z (27 days ago)
- Last Synced: 2024-11-28T20:18:34.469Z (27 days ago)
- Language: Python
- Homepage:
- Size: 156 KB
- Stars: 19
- Watchers: 11
- Forks: 3
- Open Issues: 9
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# 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](https://cadet.github.io/master/getting_started/installation.html) and the [CADET-Core repository](https://github.com/cadet/CADET-Core).
The CADET-Python package simplifies access by mapping to the [CADET interface](https://cadet.github.io/master/interface/index.html#), **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.