@@ -12,7 +12,8 @@ library: os, sys, pickle, time, datetime, copy, re, numpy, matplotlib, itertools
## Explanation
To use it, download the TIRAMISU folder. Two example, one of a full merging and the other of a sub-mechanism extraction, are available in the EXAMPLE folder. The two code to use are Main_exe_1.py and Main_exe_2.py (in this order). You can either execute the code from a terminal by calling "python Main_exe_x.py input.txt" (with x=1 or 2) or by using an IDE and commenting line 10 & 11 and uncommenting line 12 & 13 (then replace "0.txt" in line 12 by your input file).
INPUT FILE :
### INPUT FILE :
The input file is the same for the first and second part of the code (Main_exe_1.py and Main_exe_2.py).
"!" is used to comment line.
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@@ -56,7 +57,7 @@ INPUT FILE :
ORDER FOR EXTRACTION_MERGING IS ALWAYS SET TO "kt" !!!
Example: order=k
HOW TO USE :
### HOW TO USE :
Once the input created, use "python Main_exe_1.py input". A tmp_species_traduction.tmp file will be created. This file contains all the temporary translation done by the code and also which translation needs to be done manually.
This file is separated by isomer group. Each isomer group start with its composition (example: c1 o1 h1).
The next line contains all translation possible contained in mech1.
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@@ -78,7 +79,7 @@ Second list [value1, value2, value3]
Once you are satisfied with the translation, copy the file and change the ".tmp" to ".inp". Now you can use "python Main_exe_2.py input".
EXAMPLE :
### EXAMPLE :
Two example are available in this project. They contain the two mechanisms and the input for the two tasks possible (extraction_merging.txt and full_merging.txt).
The results obtained with these two examples are also available so you can compare.
The base tmp_species_traduction.tmp and the modified tmp_species_traduction.inp are also available.
