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Dateien nach "ILP/Vanilla" hochladen

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kilian
2026-08-12 14:56:59 +02:00
parent 5f79f9b212
commit 4af6c76929
1 changed files with 13 additions and 13 deletions
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ILP/Vanilla/vanillasynthesis.py
+13 -13
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@@ -3,18 +3,18 @@ from gurobipy import GRB, Model, quicksum
HYPEREDGES = { HYPEREDGES = {
1: ([], ['Cinnamicacid']), 1: ([], ['Cinnamicacid']),
2: (['Cinnamicacid'], ['p_{0,0}']), 2: (['Cinnamicacid'], ['p-Coumaricacid']),
3: (['Cinnamicacid'], ['p_{0,1}']), 3: (['Cinnamicacid'], ['m-Coumaricacid']),
4: (['Cinnamicacid'], ['p_{0,2}']), 4: (['Cinnamicacid'], ['Benzaldehyd']),
5: (['p_{0,0}'], ['p_{0,3}']), 5: (['p-Coumaricacid'], ['Caffeicacid']),
6: (['p_{0,0}'], ['p_{0,4}']), 6: (['p-Coumaricacid'], ['3-Hydroxybenzaldehyd']),
7: (['p_{0,1}'], ['p_{0,3}']), 7: (['m-Coumaricacid'], ['Caffeicacid']),
8: (['p_{0,1}'], ['p_{0,5}']), 8: (['m-Coumaricacid'], ['4-Hydroxybenzaldehyd']),
9: (['p_{0,2}'], ['p_{0,4}']), 9: (['Benzaldehyd'], ['3-Hydroxybenzaldehyd']),
10: (['p_{0,2}'], ['p_{0,5}']), 10: (['Benzaldehyd'], ['4-Hydroxybenzaldehyd']),
11: (['p_{0,3}'], ['34Dihydroxybenzaldehyd']), 11: (['Caffeicacid'], ['34Dihydroxybenzaldehyd']),
12: (['p_{0,4}'], ['34Dihydroxybenzaldehyd']), 12: (['3-Hydroxybenzaldehyd'], ['34Dihydroxybenzaldehyd']),
13: (['p_{0,5}'], ['34Dihydroxybenzaldehyd']), 13: (['4-Hydroxybenzaldehyd'], ['34Dihydroxybenzaldehyd']),
14: (['34Dihydroxybenzaldehyd'], []), 14: (['34Dihydroxybenzaldehyd'], []),
} }
@@ -24,7 +24,7 @@ HYPEREDGES = {
#Can you save spectra values to add hypergraphposition to spectrainformation? #Can you save spectra values to add hypergraphposition to spectrainformation?
#Compositespectra vs oredered set of spectra #Compositespectra vs oredered set of spectra
VERTICES = ['Cinnamicacid', 'p_{0,0}', 'p_{0,1}', 'p_{0,2}', 'p_{0,3}', 'p_{0,4}', 'p_{0,5}', '34Dihydroxybenzaldehyd'] VERTICES = ['Cinnamicacid', 'p-Coumaricacid', 'm-Coumaricacid', 'Benzaldehyd', 'Caffeicacid', '3-Hydroxybenzaldehyd', '4-Hydroxybenzaldehyd', '34Dihydroxybenzaldehyd']
#Change to only have one likelihood, where with manual order association #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, 0.2, 0.7, 0.1, 0.1, 0.2, 0.7, 0.0]