kilian/nmrproject
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Dateien nach "ILP/Vanilla" hochladen

Browse Source
This commit is contained in:
kilian
2026-09-18 12:42:06 +02:00
parent cc702732e7
commit dced90a8cb
2 changed files with 14 additions and 9 deletions
Download Patch File Download Diff File Expand all files Collapse all files
ILP/Vanilla/vanillasynthesis.py
+7 -2
View File
@@ -76,10 +76,15 @@ def print_solution(title, flow_solution, binary_solution, hyperedges):
def main():
VERTICES = ['Cinnamicacid', 'p-Coumaricacid', 'm-Coumaricacid', 'Benzaldehyd', 'Caffeicacid', '3-Hydroxybenzaldehyd', '4-Hydroxybenzaldehyd', '34Dihydroxybenzaldehyd']
#Results for comparison with p-Coumaricacid bei shift von 2.5
#Results for comparison with p-Coumaricacid bei shift von 2.5 mit binwidth 0.1 bis 3.9
NMR1 = [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
#Results for comparison with p-Coumaricacid bei shift von 2.5 mit binwidth 0.1 bis 1.1
NMR1 = [0.09, 0.38, 0.12, 0.09, 0.34, 0.02, 0.34, 0.17]
#Results for comparison with 4-Hydroxybenzaldehyd bei shift von 2.5 mit binwidth 0.1 bis 3.9
NMR2 = [0.54, 0.71, 0.4, 0.5, 0.37, 0.24, 0.62, 0.51]
#Results for comparison with 4-Hydroxybenzaldehyd bei shift von 2.5 mit binwidth 0.1 bis 1.1
NMR2 = [0.17, 0.44, 0.12, 0.18, 0.15, 0.03, 0.26, 0.17]
#Chosable parameters
modes = ["Product", "Average"]