A simple utility for parsing ThermoCalc
.txt
output files.
It parses files in format:
Phase Region for:
<phase1>
<phase2>
<phase3>
col-1=T, col-2=NP(<phase1>, col-3=NP(<phase2>, ..., col-5=X(<phase1>,<el1>), col-6=X(<phase1>,<el2>),
< numbers, space separated >
<empty line>
<another phase region (repeat of the above), for all phase regions>
phase composition columns are named NP(...
if data is in molar
fractions and BP(...
if data is in g/100g.
These files are generated from ThermoCalc(R) console's "FILE" command:
FILE <file name>.txt y
This project does not handle thermodynamic databases (.tdb
) files.
To convert a file into .csv
format:
$ python3 -m tc_parser <in file>.txt <out file>.csv
-s
also prints a summary.
The module also includes functions to find phases / elements in the input file, and convert from mass (g/100g) to molar fractions. See the very short source code for details.