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Dateien nach "mod/butadien" hochladen

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kilian
2026-08-31 12:05:22 +02:00
parent 9132b2e5f7
commit ad2c8ed7a5
2 changed files with 44 additions and 18 deletions
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mod/butadien/dottodict.py
+7 -2
View File
@@ -7,13 +7,13 @@ import re
#dir(edge) #dir(edge)
HYPERGRAPH = { HYPERGRAPH = {
1: ([], ['Butadien']), 213: ([], ['Butadien']),
} }
with open('014_dg_0_11100.dot', 'r') as file: with open('014_dg_0_11100.dot', 'r') as file:
graph = file.read() graph = file.read()
#print(re.findall( "// id = [0-9]+\\{ ('Butadien' |'p_\\{0,[0-9]\\} ){1,2}\\}, 'r_\\{[0|1]\\}', \\{ ('Butadien' |'p_\\{0,[0-9]\\} ){1,2}\\}", graph)[0]) #print(re.findall( "// id = [0-9]+\\{ ('Butadien' |'p_\\{0,[0-9]\\} ){1,2}\\}, 'r_\\{[0|1]\\}', \\{ ('Butadien' |'p_\\{0,[0-9]\\} ){1,2}\\}", graph)[0])
for edge in re.findall( "// id = [0-9]+\\{ [A-Za-z0-9_,{} ']+ \\}, 'r_\\{[0|1]\\}', \\{ [A-Za-z0-9_,{} ']+ \\}", graph): for edge in re.findall("// id = [0-9]+\\{ [A-Za-z0-9_,{} ']+ \\}, 'r_\\{[0|1]\\}', \\{ [A-Za-z0-9_,{} ']+ \\}", graph):
#print(edge) #print(edge)
index = int(re.findall("(?<=id = )(.*?)(?=\\{)", edge)[0]) index = int(re.findall("(?<=id = )(.*?)(?=\\{)", edge)[0])
educts = re.findall("(?<=\\{)(.*?)(?=\\}, 'r_\\{[0-1]\\}',)", edge)[0] educts = re.findall("(?<=\\{)(.*?)(?=\\}, 'r_\\{[0-1]\\}',)", edge)[0]
@@ -21,6 +21,11 @@ with open('014_dg_0_11100.dot', 'r') as file:
products = re.findall("(?<='r_\\{[0-1]\\}', \\{)(.*?)(?=\\ })", edge)[0] products = re.findall("(?<='r_\\{[0-1]\\}', \\{)(.*?)(?=\\ })", edge)[0]
product = re.findall("(?<= ')(.*?)(?=')", products) product = re.findall("(?<= ')(.*?)(?=')", products)
HYPERGRAPH[index] = (educt, product) HYPERGRAPH[index] = (educt, product)
for outflow in re.findall("// id = [0-9]+, graphName = [A-Za-z0-9_,\\{\\} ']+", graph):
index = int(re.findall("(?<=id = )(.*?)(?=,)", outflow)[0])
mol = re.findall("(?<=graphName = )Butadien|p_\\{0,[0-9]+\\}", outflow)[0]
HYPERGRAPH[index] = ([f'{mol}'], [])
HYPERGRAPH = dict(sorted(HYPERGRAPH.items()))
with open('hypergraph.txt', 'w') as f: with open('hypergraph.txt', 'w') as f:
f.write("HYPERGRAPH = {\n") f.write("HYPERGRAPH = {\n")
mod/butadien/hypergraph.txt
+37 -16
View File
@@ -1,16 +1,24 @@
HYPERGRAPH = { HYPERGRAPH = {
0: (['Butadien'], []),
1: (['Butadien'], ['Butadien']), 1: (['Butadien'], ['Butadien']),
2: (['p_{0,0}'], []),
3: (['p_{0,1}'], []),
4: (['Butadien', 'Butadien'], ['p_{0,0}', 'p_{0,1}']), 4: (['Butadien', 'Butadien'], ['p_{0,0}', 'p_{0,1}']),
5: (['Butadien', 'Butadien'], ['Butadien', 'Butadien']), 5: (['Butadien', 'Butadien'], ['Butadien', 'Butadien']),
6: (['p_{0,2}'], []),
7: (['Butadien', 'Butadien'], ['p_{0,2}']), 7: (['Butadien', 'Butadien'], ['p_{0,2}']),
8: (['p_{0,1}'], ['p_{0,1}']),
9: (['p_{0,0}', 'p_{0,0}'], ['p_{0,0}', 'p_{0,0}']), 9: (['p_{0,0}', 'p_{0,0}'], ['p_{0,0}', 'p_{0,0}']),
10: (['p_{0,0}', 'p_{0,1}'], ['Butadien', 'Butadien']), 10: (['p_{0,0}', 'p_{0,1}'], ['Butadien', 'Butadien']),
11: (['p_{0,0}', 'p_{0,1}'], ['p_{0,0}', 'p_{0,1}']), 11: (['p_{0,0}', 'p_{0,1}'], ['p_{0,0}', 'p_{0,1}']),
12: (['p_{0,3}'], []),
13: (['p_{0,0}', 'p_{0,2}'], ['p_{0,3}']), 13: (['p_{0,0}', 'p_{0,2}'], ['p_{0,3}']),
14: (['p_{0,0}', 'p_{0,2}'], ['p_{0,0}', 'p_{0,2}']), 14: (['p_{0,0}', 'p_{0,2}'], ['p_{0,0}', 'p_{0,2}']),
15: (['Butadien', 'p_{0,0}'], ['Butadien', 'p_{0,0}']), 15: (['Butadien', 'p_{0,0}'], ['Butadien', 'p_{0,0}']),
16: (['p_{0,1}', 'p_{0,1}'], ['p_{0,1}', 'p_{0,1}']), 16: (['p_{0,1}', 'p_{0,1}'], ['p_{0,1}', 'p_{0,1}']),
17: (['p_{0,4}'], []),
18: (['p_{0,1}', 'p_{0,1}'], ['Butadien', 'p_{0,4}']), 18: (['p_{0,1}', 'p_{0,1}'], ['Butadien', 'p_{0,4}']),
19: (['p_{0,5}'], []),
20: (['p_{0,1}', 'p_{0,2}'], ['Butadien', 'p_{0,5}']), 20: (['p_{0,1}', 'p_{0,2}'], ['Butadien', 'p_{0,5}']),
21: (['Butadien', 'p_{0,1}'], ['Butadien', 'p_{0,1}']), 21: (['Butadien', 'p_{0,1}'], ['Butadien', 'p_{0,1}']),
22: (['p_{0,1}', 'p_{0,2}'], ['p_{0,1}', 'p_{0,2}']), 22: (['p_{0,1}', 'p_{0,2}'], ['p_{0,1}', 'p_{0,2}']),
@@ -18,14 +26,29 @@ HYPERGRAPH = {
24: (['p_{0,2}', 'p_{0,2}'], ['p_{0,2}', 'p_{0,2}']), 24: (['p_{0,2}', 'p_{0,2}'], ['p_{0,2}', 'p_{0,2}']),
25: (['Butadien', 'p_{0,2}'], ['Butadien', 'p_{0,2}']), 25: (['Butadien', 'p_{0,2}'], ['Butadien', 'p_{0,2}']),
26: (['Butadien', 'p_{0,2}'], ['p_{0,0}', 'p_{0,5}']), 26: (['Butadien', 'p_{0,2}'], ['p_{0,0}', 'p_{0,5}']),
27: (['p_{0,6}'], []),
28: (['p_{0,0}', 'p_{0,1}'], ['p_{0,6}']), 28: (['p_{0,0}', 'p_{0,1}'], ['p_{0,6}']),
29: (['p_{0,7}'], []),
30: (['Butadien', 'p_{0,0}'], ['p_{0,7}']), 30: (['Butadien', 'p_{0,0}'], ['p_{0,7}']),
31: (['p_{0,8}'], []),
32: (['Butadien', 'p_{0,1}'], ['p_{0,8}']), 32: (['Butadien', 'p_{0,1}'], ['p_{0,8}']),
33: (['Butadien', 'p_{0,1}'], ['p_{0,5}']), 33: (['Butadien', 'p_{0,1}'], ['p_{0,5}']),
34: (['p_{0,9}'], []),
35: (['Butadien', 'p_{0,1}'], ['p_{0,9}']), 35: (['Butadien', 'p_{0,1}'], ['p_{0,9}']),
36: (['p_{0,10}'], []),
37: (['Butadien', 'p_{0,1}'], ['p_{0,10}']), 37: (['Butadien', 'p_{0,1}'], ['p_{0,10}']),
38: (['p_{0,3}'], ['p_{0,0}', 'p_{0,2}']), 38: (['p_{0,3}'], ['p_{0,0}', 'p_{0,2}']),
39: (['p_{0,3}'], ['p_{0,3}']),
40: (['p_{0,4}'], ['p_{0,4}']),
41: (['p_{0,11}'], []),
42: (['p_{0,4}'], ['p_{0,0}', 'p_{0,11}']), 42: (['p_{0,4}'], ['p_{0,0}', 'p_{0,11}']),
43: (['p_{0,12}'], []),
44: (['p_{0,5}'], ['p_{0,12}']),
45: (['p_{0,5}'], ['p_{0,5}']),
46: (['p_{0,6}'], ['p_{0,6}']),
47: (['p_{0,8}'], ['p_{0,8}']),
48: (['p_{0,9}'], ['p_{0,9}']),
49: (['p_{0,10}'], ['p_{0,10}']),
50: (['p_{0,3}', 'p_{0,3}'], ['p_{0,3}', 'p_{0,3}']), 50: (['p_{0,3}', 'p_{0,3}'], ['p_{0,3}', 'p_{0,3}']),
51: (['p_{0,3}', 'p_{0,4}'], ['p_{0,3}', 'p_{0,4}']), 51: (['p_{0,3}', 'p_{0,4}'], ['p_{0,3}', 'p_{0,4}']),
52: (['p_{0,3}', 'p_{0,5}'], ['p_{0,3}', 'p_{0,5}']), 52: (['p_{0,3}', 'p_{0,5}'], ['p_{0,3}', 'p_{0,5}']),
@@ -39,6 +62,7 @@ HYPERGRAPH = {
60: (['p_{0,1}', 'p_{0,3}'], ['p_{0,1}', 'p_{0,3}']), 60: (['p_{0,1}', 'p_{0,3}'], ['p_{0,1}', 'p_{0,3}']),
61: (['p_{0,4}', 'p_{0,4}'], ['p_{0,4}', 'p_{0,4}']), 61: (['p_{0,4}', 'p_{0,4}'], ['p_{0,4}', 'p_{0,4}']),
62: (['p_{0,4}', 'p_{0,5}'], ['p_{0,4}', 'p_{0,5}']), 62: (['p_{0,4}', 'p_{0,5}'], ['p_{0,4}', 'p_{0,5}']),
63: (['p_{0,13}'], []),
64: (['p_{0,4}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,13}']), 64: (['p_{0,4}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,13}']),
65: (['p_{0,2}', 'p_{0,4}'], ['p_{0,1}', 'p_{0,5}']), 65: (['p_{0,2}', 'p_{0,4}'], ['p_{0,1}', 'p_{0,5}']),
66: (['p_{0,0}', 'p_{0,4}'], ['Butadien', 'p_{0,1}']), 66: (['p_{0,0}', 'p_{0,4}'], ['Butadien', 'p_{0,1}']),
@@ -74,7 +98,9 @@ HYPERGRAPH = {
96: (['Butadien', 'p_{0,6}'], ['p_{0,0}', 'p_{0,13}']), 96: (['Butadien', 'p_{0,6}'], ['p_{0,0}', 'p_{0,13}']),
97: (['p_{0,1}', 'p_{0,6}'], ['Butadien', 'p_{0,13}']), 97: (['p_{0,1}', 'p_{0,6}'], ['Butadien', 'p_{0,13}']),
98: (['p_{0,1}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,6}']), 98: (['p_{0,1}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,6}']),
99: (['p_{0,14}'], []),
100: (['p_{0,0}', 'p_{0,6}'], ['p_{0,14}']), 100: (['p_{0,0}', 'p_{0,6}'], ['p_{0,14}']),
101: (['p_{0,15}'], []),
102: (['p_{0,0}', 'p_{0,7}'], ['p_{0,15}']), 102: (['p_{0,0}', 'p_{0,7}'], ['p_{0,15}']),
103: (['p_{0,8}', 'p_{0,8}'], ['p_{0,8}', 'p_{0,8}']), 103: (['p_{0,8}', 'p_{0,8}'], ['p_{0,8}', 'p_{0,8}']),
104: (['p_{0,8}', 'p_{0,9}'], ['p_{0,8}', 'p_{0,9}']), 104: (['p_{0,8}', 'p_{0,9}'], ['p_{0,8}', 'p_{0,9}']),
@@ -95,10 +121,19 @@ HYPERGRAPH = {
119: (['Butadien', 'p_{0,10}'], ['Butadien', 'p_{0,10}']), 119: (['Butadien', 'p_{0,10}'], ['Butadien', 'p_{0,10}']),
120: (['p_{0,1}', 'p_{0,10}'], ['p_{0,1}', 'p_{0,10}']), 120: (['p_{0,1}', 'p_{0,10}'], ['p_{0,1}', 'p_{0,10}']),
121: (['p_{0,0}', 'p_{0,4}'], ['p_{0,13}']), 121: (['p_{0,0}', 'p_{0,4}'], ['p_{0,13}']),
122: (['p_{0,16}'], []),
123: (['p_{0,0}', 'p_{0,4}'], ['p_{0,16}']), 123: (['p_{0,0}', 'p_{0,4}'], ['p_{0,16}']),
124: (['p_{0,17}'], []),
125: (['Butadien', 'p_{0,7}'], ['p_{0,17}']), 125: (['Butadien', 'p_{0,7}'], ['p_{0,17}']),
126: (['p_{0,11}'], ['p_{0,11}']),
127: (['p_{0,12}'], ['p_{0,5}']),
128: (['p_{0,12}'], ['p_{0,12}']),
129: (['p_{0,13}'], ['p_{0,13}']),
130: (['p_{0,14}'], ['p_{0,0}', 'p_{0,6}']), 130: (['p_{0,14}'], ['p_{0,0}', 'p_{0,6}']),
131: (['p_{0,14}'], ['p_{0,14}']),
132: (['p_{0,15}'], ['p_{0,0}', 'p_{0,7}']), 132: (['p_{0,15}'], ['p_{0,0}', 'p_{0,7}']),
133: (['p_{0,15}'], ['p_{0,15}']),
134: (['p_{0,16}'], ['p_{0,16}']),
135: (['p_{0,0}', 'p_{0,11}'], ['p_{0,4}']), 135: (['p_{0,0}', 'p_{0,11}'], ['p_{0,4}']),
136: (['p_{0,12}', 'p_{0,12}'], ['p_{0,12}', 'p_{0,12}']), 136: (['p_{0,12}', 'p_{0,12}'], ['p_{0,12}', 'p_{0,12}']),
137: (['p_{0,12}', 'p_{0,13}'], ['p_{0,12}', 'p_{0,13}']), 137: (['p_{0,12}', 'p_{0,13}'], ['p_{0,12}', 'p_{0,13}']),
@@ -174,22 +209,8 @@ HYPERGRAPH = {
207: (['p_{0,4}', 'p_{0,16}'], ['p_{0,4}', 'p_{0,16}']), 207: (['p_{0,4}', 'p_{0,16}'], ['p_{0,4}', 'p_{0,16}']),
208: (['p_{0,5}', 'p_{0,16}'], ['p_{0,5}', 'p_{0,16}']), 208: (['p_{0,5}', 'p_{0,16}'], ['p_{0,5}', 'p_{0,16}']),
209: (['p_{0,6}', 'p_{0,16}'], ['p_{0,6}', 'p_{0,16}']), 209: (['p_{0,6}', 'p_{0,16}'], ['p_{0,6}', 'p_{0,16}']),
210: (['p_{0,18}'], []),
211: (['Butadien', 'p_{0,11}'], ['p_{0,18}']), 211: (['Butadien', 'p_{0,11}'], ['p_{0,18}']),
8: (['p_{0,1}'], ['p_{0,1}']),
39: (['p_{0,3}'], ['p_{0,3}']),
40: (['p_{0,4}'], ['p_{0,4}']),
44: (['p_{0,5}'], ['p_{0,12}']),
45: (['p_{0,5}'], ['p_{0,5}']),
46: (['p_{0,6}'], ['p_{0,6}']),
47: (['p_{0,8}'], ['p_{0,8}']),
48: (['p_{0,9}'], ['p_{0,9}']),
49: (['p_{0,10}'], ['p_{0,10}']),
126: (['p_{0,11}'], ['p_{0,11}']),
127: (['p_{0,12}'], ['p_{0,5}']),
128: (['p_{0,12}'], ['p_{0,12}']),
129: (['p_{0,13}'], ['p_{0,13}']),
131: (['p_{0,14}'], ['p_{0,14}']),
133: (['p_{0,15}'], ['p_{0,15}']),
134: (['p_{0,16}'], ['p_{0,16}']),
212: (['p_{0,18}'], ['p_{0,18}']), 212: (['p_{0,18}'], ['p_{0,18}']),
213: ([], ['Butadien']),
} }