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Dateien nach "ILP/Vanilla" hochladen

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kilian
2026-08-18 12:25:20 +02:00
parent 456ded8d2f
commit 98aa308d17
2 changed files with 19 additions and 7 deletions
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ILP/Vanilla/vanillasynthesis.py
+7 -3
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@@ -7,9 +7,9 @@ HYPEREDGES = {
3: (['Cinnamicacid'], ['m-Coumaricacid']),
4: (['Cinnamicacid'], ['Benzaldehyd']),
5: (['p-Coumaricacid'], ['Caffeicacid']),
6: (['p-Coumaricacid'], ['3-Hydroxybenzaldehyd']),
6: (['p-Coumaricacid'], ['4-Hydroxybenzaldehyd']),
7: (['m-Coumaricacid'], ['Caffeicacid']),
8: (['m-Coumaricacid'], ['4-Hydroxybenzaldehyd']),
8: (['m-Coumaricacid'], ['3-Hydroxybenzaldehyd']),
9: (['Benzaldehyd'], ['3-Hydroxybenzaldehyd']),
10: (['Benzaldehyd'], ['4-Hydroxybenzaldehyd']),
11: (['Caffeicacid'], ['34Dihydroxybenzaldehyd']),
@@ -27,7 +27,11 @@ HYPEREDGES = {
VERTICES = ['Cinnamicacid', 'p-Coumaricacid', 'm-Coumaricacid', 'Benzaldehyd', 'Caffeicacid', '3-Hydroxybenzaldehyd', '4-Hydroxybenzaldehyd', '34Dihydroxybenzaldehyd']
#Change to only have one likelihood, where with manual order association
NMRLIKELYHOODS = [0.0, 0.2, 0.7, 0.1, 0.1, 0.2, 0.7, 0.0]
NMRLIKELYHOODS = [0.0, 0.65, 0.38, 0.25, 0.37, 0.24, 0.62, 0.0]
#Results for comparison with p-Coumaricacid bei shift von 2.5
NMRLIKELYHOODS1 = [0.37, 0.65, 0.38, 0.25, 0.55, 0.2, 0.47, 0.44]
#Results for comparison with 4-Hydroxybenzaldehyd bei shift von 2.5
NMRLIKELYHOODS2 = [0.54, 0.71, 0.4, 0.5, 0.37, 0.24, 0.62, 0.51]
FIXED_FLOWS = {
1: 1,