-
Notifications
You must be signed in to change notification settings - Fork 0
/
Userguide.txt
31 lines (20 loc) · 1.41 KB
/
Userguide.txt
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
--- This is a work in progress not all feature are complete and there will be bugs, I ran everything in the Spyder IDE so results were
outputted to the console
----
Requirements
Python 3.6
Numpy
Included in this program:
- Set of already generated rings
- Code to generate new rings
- Code to generate meta atoms
- Code to react meta atom dangling nodes together
Running the low level reactor:
This part of the program generates rings of atoms which are then pickled. To run this program download it and run it from the script called "ringGenerator.py".
Upon running a it will present a paragraph of text informing you of what parameters you can changes. Do not alter the numSets.txt file, doing this will
mean the script cannot correctly store the ring pickle file.
Note - The file paths in Reactor_v9.py will need to be changed, this file path is located on lines 57
Running the high level reactor:
The high level reactor is currently a work in progress and can only react a single pair of meta atoms at a time and is currently not able to save the resulting product. To run the high level reactor download everything and run the script called "metaReactor_v1.py".
Note- The file path in metaReactor_v1.py will need to be changed, this file path is located on line 30 and will need to be changed to X:\\XXXX\\XXXX\\ringMolecules where
the X's are the path the ringMolecules file is located