Reaction-Transport Modeling in Porous Media
Project description
Overview
REMAP (Chernyavsky & Wortmann, 2007, DOI 10.1029/2006GC001442) provides an easy to use interface for 1-dimensional reaction-transport modeling in porous media, and provides explicit support for kinetic stable isotope fractionation calculations.
The original program was written as matlab program. Remappy provides a python wrapper to the original code which can be run via oct2py
.
News:
- April 5th: v 0.0.0.4, installation path is now updated during installation, non-python files are now included in installation script. Updated installation instructions
- March 30th: Initial release
Installation
pip install remappy
will install all necessary files and dependencies- you can now import remap into your python code (see below)
- to run remap as standalone application, you need to follow your os specific instructions to create an executable python program. On linux, it is sufficient to link
remap.py
to a directory which is in your path (often/usr/local/bin/
) and set is a executable. Tools like https://datatofish.com/executable-pyinstaller/ will also work on Mac and Windows.
Usage
- remap.py: This behaves similar to the original remap but provides extended command-line parsing options, run
remap.py --help
for details - you can also import the library and use it inside of your own python code
import remap
import pathlib as pl
import pandas as pd
fn: str = "hg.rmp" # remap config file
cwd: pl.Path = pl.Path.cwd() # get the current working directory
fqfn: pl.Path = pl.Path(f"{cwd}/{fn}") # fully qualified file name
if not fqfn.exists(): # check if file exist
raise FileNotFoundError(f"Cannot find file {fn}")
# run remap and return results as dataframe
df: pd.DataFrame = remap.run_remap(str(fname))
- or use the
oct2py
interface directly
from oct2py import octave
octave.addpath("/path/to/remap.m")
fn = "hg.rmp" # name of remap configuration file
# call remap
[c, conc, r, v, par] = octave.start_remap(fn, nout=5)
Documentation
See the docs
folder for the original REMAP documentation.
Todo
- port more matlab code to python
- provide more examples
- do more testing
License
remappy: reaction-transport modeling Copyright (C), 2022 Ulrich G. Wortmann
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.
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