Or appPy for short, is a python application which does the heavy lifting –
all algorithms for thermodynamic consistency tests, non-linear regression and the fitting models are implemented here.
Uses pipenv for dependency management, see Pipfile (also specifies python version).
I/O is provided either mainly via Flask server (for Electron app),
or alternatively CLI (for local development, may be outdated).
The server application can be built as a single executable binary using pyinstaller.
The binary is then packed together with the Electron app, running silently as its child process.
See Typescript frontend for build process of the Electron app.
Regardless of how do you run appPy, user data is always read from directors ~/Documents/VLizard, analogically on Windows, Linux, macOS respectively.
⚠ All commands shall be run in appPy directory!
cd appPy
pyenv install $(cat .python-version)
pyenv local $(cat .python-version)
# (or manually install python version as per the file .python-version)
pip install --user pipenv
pipenv install --dev
Build has to be done natively on each respective platform: Windows, Linux, macOS.
pipenv shell
pyinstaller --onefile --name VLizard_server serve.py
exit
Run production server: pipenv run start
Run development server: pipenv run dev (has hot reload)
Run built production server: .\dist\VLizard_server.exe or ./dist/VLizard_server
Uses port 37137 by default.
See http/ for API documentation (as IntelliJ http files).
Endpoints assume valid systems and datasets, UI must take care of that.
CRUD controllers operate on .tsv files, which store user input data.
Analyses are run via POST endpoints, which return json and also persist it in .json files as cache.
Unit tests: pipenv run test
Pylint: pipenv run lint
Prettier: pipenv run prettier
Examples for CLI commands on Linux (on Windows, write \ instead of /):
pipenv shell
python cli/slope.py --help
python cli/vapor.py CHOL
python cli/vle.py CPF CPOL
python cli/vle.py CPF CPOL --txy --pxy -d 25kPa
python cli/gamma.py CHF CHOL -d 25kPa --gamma --phi
python cli/gamma.py CHF CHOL -d 25kPa --c12 0.4 -c c_12,virB_1,virB_2,virB_12
python cli/rk.py CHF CHOL -d 25kPa,40kPa --plot
python cli/herington.py CHF CHOL -d 25kPa,40kPa
python cli/fredenslund.py CHF CHOL -d 25kPa --ge --res
python cli/fit.py CPF CPOL vanLaar -d 25kPa --ptxy --persist
python cli/tabulate.py CPOL CPF vanLaar -p 33 --txy
python cli/tabulate.py CPOL CPF vanLaar -t 321 --pxy
python cli/vn.py CPOL CPF vanLaar -d 25kPa --plot
python cli/fit.py CHOL CHF NRTL -d 10kPa,25kPa,40kPa --xy --ptxy --gamma -c c_12
python cli/fit.py EtOH H2O UNIQUAC --skip -d Kamihama2012,Voutsas2011 --xy --gamma -p 1.972,1.4,2.10547,0.92,2.0046,-2.4936,-728.9705,756.9477
exit
See appPy/cli, where filenames correspond to commands;
calling with --help will instruct you further.