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ctapp

This is a simple example for a Cantera derived application that is compiled against Cantera source code.

This example adds Cython versions of new C++ classes, which are accessed from the Python package ctapp:

  • Sqrt1 functor (new C++ Func1 class) ... Python: ct.Func1.cxx_functor("sqrt")
  • ClonedReactor (based on C++ IdealGasConstPressureReactor) ... Python: ctapp.ClonedReactor
  • NewFlow (based on C++ StFlow) ... Python: ctapp.NewFlame

Installation

Set up a conda environment

Warning This branch compiles against Cantera 3.0.0b1, which is still under development. Conda packages may not be up to date, so compilation from source is recommended.

Create and activate a conda environment

$ conda create -n ctapp -c conda-forge scons numpy cython boost-cpp eigen ruamel.yaml git ipython
$ conda activate ctapp

The package depends on cantera and libcantera-devel, both of which are available as conda packages.

Install cantera and libcantera-devel

$ conda install -c conda-forge cantera libcantera-devel

Note As an alternative, Cantera can be installed from source in the same environment.

Install ctapp

Clone the repository

$ git clone https://github.com/ischoegl/ctapp.git
$ cd ctapp

Optional step: to shows compilation progress prior to installation, run

# python setup.py build_ext --inplace

Run the installer for the local project path

# pip install -e .

Note: the -e (--editable) flag creates a version that is linked and will automatically update.

Usage

Open a python console, verify that the package loads without errors, and that newly defined objects are present.

$ python
...
>>> import ctapp
>>> dir(ctapp)

Run the functor example:

$ cd examples
$ python new_functor.py

Linux/macOS only: Run modified Cantera samples (the shell script get_examples.sh downloads and modifies stock Cantera examples). Utilities wget and sed need to be installed.

$ cd examples
$ sh get_examples.sh
$ python new_flame.py
$ python cloned_reactor.py