contamxpy 0.0.8

Python wrapper for the CONTAM Simulation Engine, ContamX

Python Bindings for ContamX

This is the initial implementation of a Python wrapper for contamx-lib.lib which is a statically linked library with an API wrapper around ContamX. contamx-lib enables control of CONTAM simulations via C-language API. This Python package, contamxpy, provides another layer of access, i.e., Python bindings, to contamx-lib.

Driver Modules are provided that demonstrate the use of contamxpy.py. These drivers import contamxpy, obtain a state, get properties of the simulation necessary to run from beginning to end, then step through all the time steps.

Usage

Typically, one would work within a Python virtual environment which can be created and activated using the following commands.

$ python -m venv .venv
$ .venv\Scripts\activate  (on Windows)

Install contamxpy from PyPI.

$(.venv) python -m pip install contamxpy

Get help for the test module from the command line.

test_cxcffi.py -h

Usage: test_cxcffi.py [options] arg1  
    arg1=PRJ filename

Options:
  -h, --help    show this help message and exit
  -v VERBOSE, --verbose=VERBOSE
                define verbose output level: 0=Min, 1=Medium,
                2=Max

Driver Modules

Demonstration cases are provided with the downloadable source distribution. Example drivers and test cases, i.e., CONTAM PRJ and associated input files (WTH, CTM), will be in the demo_files folder. This example command line runs the test_OneZoneWthCtm.py module with test_GetPrjInfo.prj using the --verbose=2 command line option and redirects it to a text file named out.txt. Review out.txt for detailed information obtained from the PRJ file via the contamxpy module.

test_OneZoneWthCtm.py test_GetPrjInfo.prj --verbose=2 > out.txt

Some driver modules (listed below) are case-specific and provide boundary conditions (WTH and CTM-like) for their respective PRJ files.

• test_OneZoneWthCtm.py

  • test_OneZoneWthCtm-UseApi.prj
  • test_OneZoneWthCtmStack-UseApi.prj
  • valThreeZonesWthCtm-UseApi.prj
  • testGetPrjInfo.prj

• test_cxcffi.py

  • test_OneZoneWthCtm.prj
  • test_OneZoneWthCtmStack.prj
  • valThreeZonesWthCtm.prj

• test_OneFloorWpcAddMf.py

  • test_OneFloorWpcAddMf-UseApi.prj

contamxpy is thread safe, and the test_Multirun.py driver demonstrates this capability by running multiple PRJ files provided in a list file using the Python threading module. NOTE: At the time of this release, contamxpy cannot be used with Python's multiprocessing capabilities due to pickling limitation of CFFI-based modules.

• test_MultiRun.py (Use --help option for details)

  • prjFile.lst
  • reg_solverContTrace-mz-MH-trans-3day.prj, test_GetPrjInfo.prj, test_OneFloorWpcAddMfYear.prj, test_OneZoneWthCtmStackYear.prj, test_OneZoneWthCtmYear.prj, valThreeZonesWthCtmYear.prj

Documentation

The docs folder in the source distribution file (e.g., contamxpy-#.#.#.zip) contains a PDF with detailed documentation of the API.

Developer Notes

These bindings were developed using the C Foreign Function Interface (CFFI). CFFI utilizes C header files that define the contamx-lib API. contamx-lib.lib is a statically linked build of ContamX with an API, i.e., contamx-lib. A dynamic Python module (.pyd) is built that incorporates the static build.

NIST Developer NOTE: The static build of contamx-lib.lib must include the following dependencies: WSock32.lib, WS2_32.lib, and user32.lib.

Steps to Develop Python Bindings

1. Create directory for contamxpy

• Either clone the repo (NIST developers only) OR
• Download the source distribution from https://pypi.org/project/contamxpy/

Source files:

contamxpy\  
|
| setup.py
| setup.cfg
| MANIFEST.in 
| LICENSE.txt
| README.md
| contamxpy_build.py
| contamxpy.py
| contamx-lib.lib
|
├── include\
|   └── contam-x-cosim.h
|       string-len-max.h
|       types.h
|
└── demo_files\
    └── cxResults.py
        cxRunSim.py
        test_cxcffi.py
          test_OneZoneWthCtm.prj/.wth/.ctm
          test_OneZoneWthCtmStack.prj/.wth/.ctm
          valThreeZonesWth.prj/.wth/.ctm
          test_OneFloorWpcAddMf.prj
          test_OneFloor.wpc
        test_OneZoneWthCtm.py
          test_OneZoneWthCtm-UseApi.prj
          test_OneZoneWthCtmStack-UseApi.prj
          test_GetPrjInfo.prj
        test_OneFloorWpcAddMf.py
          test_OneFloorWpcAddMf-UseApi.prj
        test_MultiRun.py
          prjFile.lst
          reg_solverContTrace-mz-MH-trans-3day.prj
          MD-Balt-EPW.wth
          test_OneFloorWpcAddMfYear.prj 
          test_OneFloorYear.wpc
          test_OneZoneWthCtmStackYear.prj/.wth/.ctm
          test_OneZoneWthCtmYear.prj/.wth/.ctm
          valThreeZonesWthCtmYear.prj/.wth/.ctm
        test_OneZoneSS.py
          test_OneZoneSS-UseApi.prj
          test_OneZoneSS.prj
          test_OneZoneSS-Transient.prj/.wth/.ctm

2. Create virtual environment

python -m venv .venv

3. Activate virtual environment

• Windows => .venv\Scripts\activate.bat

4. Install required packages:

$ python -m pip install cffi, wheel, numpy

• cffi and wheel are required for development
• cffi and numpy are required to run example driver modules

5. Generate contamxpy

Run the build module.

contamxpy_build.py

This should generate _contamxpy.c, etc.

contamxpy\  
|
├── Release\
|   └── ... *.exp/.lib/.obj
|
└── _contamxpy.c
    _contamxpy.cp310-win_amd64.pyd

Most importantly it will generate a dynamic python module, e.g., _contamxpy-cp310-win_amd64.pyd that provides a wrapper to contamx-lib.lib.

6. Install the development version locally

$(.venv) pip install .

7. Generate Files for Distribution

Built distribution, i.e., wheel file:

$(.venv) python -m setup bdist_wheel

Source distribution, i.e., compressed archive (.zip, .gz):

$(.venv) python -m setup sdist --format=zip
AND/OR
$(.venv) python -m setup sdist

Development Files

cxcffi_build.py

This module is used to produce the dynamic python module using CFFI to wrap the static library, contamx-lib.

from __future__ import annotations

# Using the "out-of-line", "API mode"
from cffi import FFI


CDEF = '''\
    // NOT SHOWN: typedef and function prototypes for contamx-lib.lib
'''

SRC = '''\
    #include "include//contam-x-cosim.h"
'''

ffibuilder = FFI()
ffibuilder.cdef(CDEF)
ffibuilder.set_source(
    "_contamxpy", SRC,
    include_dirs=['.','include'],  # C header files for contam-x-lib
    libraries=['contamx-lib'],     # Library to link with (.lib, .dll)
)

if __name__ == "__main__":
    ffibuilder.compile(verbose=True)

contamxpy

contamxpy implements the cxLib class that provides the wrapper to contamx-lib. This module is imported for use by driver programs listed above.

NOTE: Code not shown here.

setup.py

from __future__ import annotations

import platform
import sys

from setuptools import setup

if platform.python_implementation() == 'CPython':
    try:
        import wheel.bdist_wheel
    except ImportError:
        cmdclass = {}
    else:
        class bdist_wheel(wheel.bdist_wheel.bdist_wheel):
            def finalize_options(self) -> None:
                self.py_limited_api = f'cp3{sys.version_info[1]}'
                super().finalize_options()

        cmdclass = {'bdist_wheel': bdist_wheel}
else:
    cmdclass = {}

setup(
    cffi_modules=['contamxpy_build.py:ffibuilder'], cmdclass=cmdclass
    )

setup.cfg

[metadata]
name = contamxpy
version = 0.0.8
description = Python wrapper for the CONTAM Simulation Engine, ContamX
long_description = file: README.md
long_description_content_type = text/markdown
author = W. Stuart Dols, Brian Polidoro, NIST
author_email = [e-mail]
license = Public Domain
license_files = LICENSE.txt
classifiers =
    License :: Public Domain 
    License :: OSI Approved :: BSD License
    Programming Language :: Python :: 3
    Programming Language :: Python :: 3 :: Only
    Programming Language :: Python :: Implementation :: CPython
    Programming Language :: Python :: Implementation :: PyPy
    Topic :: Scientific/Engineering
project_urls=
    Web Page= https://www.nist.gov/el/energy-and-environment-division-73200/nist-multizone-modeling/
    Source  = https://pypi.org/project/contamxpy/
[options]
py_modules = contamxpy
python_requires = >=3.7
install_requires =
    cffi>=1
setup_requires =
    cffi>=1

MANIFEST.in

The manifest file is used to add files to the source builds.

include include\*.h
include contamx-lib.*
include demo_files\*.py
include demo_files\*.prj
include demo_files\*.wth
include demo_files\*.ctm

REFERENCES

1. https://www.youtube.com/watch?v=X5irxO5VCHw
2. https://github.com/asottile/ukkonen
3. https://cffi.readthedocs.io/en/latest/index.html
4. https://docs.python.org/3.10/distutils/index.html
5. https://setuptools.pypa.io/en/latest/setuptools.html
6. https://packaging.python.org/en/latest/tutorials/packaging-projects/

TODO

• Test on Linux