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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
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@@ -7,13 +7,13 @@ import re
#dir(edge)
HYPERGRAPH = {
1: ([], ['Butadien']),
213: ([], ['Butadien']),
}
with open('014_dg_0_11100.dot', 'r') as file:
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])
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)
index = int(re.findall("(?<=id = )(.*?)(?=\\{)", 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]
product = re.findall("(?<= ')(.*?)(?=')", products)
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:
f.write("HYPERGRAPH = {\n")