Code geneartion tools for transmutation solvers

## Project description

# Transmutagen

Transmutation SymPy Code Generator

[![Build Status](https://travis-ci.org/ergs/transmutagen.svg?branch=master)](https://travis-ci.org/ergs/transmutagen)

# Usage

First, get the git master version of SymPy and set PYTHONPATH to point to
it.

Transmutagen also depends on

- mpmath
- sympy >= 1.1
- matplotlib
- numpy
- scipy
- pyne
- jinja2
- gmpy2
- Cython

## Generating the CRAM approximation to exp(-x) on [0, oo)

Run

python -m transmutagen.cram D N

where D is the degree of the approximation and N is the number of digits.
A typical run would be something like

python -m transmutagen.cram 14 200

Note that the digits returned are not necessarily all accurate. To compute N
correct digits one generally needs to many more working digits in the
computation. Furthermore, when roots are taken, the precision may decrease
even further. So it is recommend to always compute the CRAM expression with a
very high number of digits.

There are many options, but it is not recommending changing them unless you
know what you are doing. See python -m transmutagen --help. To
increase/reduce the verbosity of the output, use the --log-level flag.

If you use iTerm2, install iterm2-tools (from conda-forge) to get plots in
the terminal.

Note: all output and plots are logged to the logs and plots directories.

## Generating solver code

To generate solver code, use

python -m transmutagen.gensolve

This will generate solve.c and solve.h. Use

python -m transmutagen.gensolve --help

to see various options, such as how to change the degrees that are generated,
and the namespace of the generated functions.

This will use a default list of nuclides and sparsity pattern. To add or
remove nuclides, modify the JSON file, and pass it in with

python -m transmutagen.gensolve --json-file gensolve.json

The format of the JSON file is

 json
{
"nucs": ["H1", "H2", ...],
"fromto": [["H1", "H1"], ["H1", "H2"], ...]
}


Where "nucs" is a list of nuclides and "fromto" is a list of lists of
every possible reaction product pair. Every nuclide should be listed as a
reaction with itself.

To generate a JSON file from ORIGEN libraries, run

python -m transmutagen.generate_json /path/to/origen/libs/ --outfile gensolve.json

This will save the JSON to gensolve.json. Note that transmutagen comes
with a a JSON file generated from ORIGEN in
transmutagen/data/gensolve_origen.json as well as one generated from PyNE
in transmutagen/data/gensolve.json.

The resulting solve.c will have functions
{namespace}_expm_multiply{N}(double* A, double* b, double* x), where
{namespace} is the namespace specified by the --namespace flag to
python -m transmutagen.gensolve (the default is transmutagen), and
{N} is the degree of the approximation used in the solve, specified by the
--degree flag (the default is 14). The function computes exp(A)*b
and stores the result in x. A should be in a flattened format,
according to the sparsity pattern the solver was generated from.

## Converting ORIGEN libraries to a sparse matrix representation

If you'd like to convert an origen file to a matrix representation, please
use something like:

python -m transmutagen.tape9sparse ~/origen22/libs/pwru50.lib --decay ~/origen22/libs/decay.lib

See --help and the transmutagen.tape9utils docs for more details.

## Running tests against ORIGEN

Put ORIGEN.zip in the docker/ directory. Then run

./docker/origen_all/build_and_run.sh

This requires the docker daemon to be running, and may require sudo. There
are various options, which you can see with

./docker/origen_all/build_and_run.sh --help

This will run both ORIGEN and transmutagen (CRAM) on a suite of ORIGEN
libraries, starting nuclides, and times, writing the results to
data/results.hdf5. The output will also be logged to logs/origen_all.log.
Be warned total suite takes over 24 hours to run.

## Project details

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