From 6cbf76a79be239ee1a57a7bfe9780db72f088aca Mon Sep 17 00:00:00 2001
From: kilian <Kilian.seng@web.de>
Date: Wed, 16 Sep 2026 10:41:37 +0200
Subject: [PATCH] Dateien nach "ILP/Vanilla" hochladen

---
 ILP/Vanilla/vanillasynthesis.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/ILP/Vanilla/vanillasynthesis.py b/ILP/Vanilla/vanillasynthesis.py
index e708d20..ac07c90 100644
--- a/ILP/Vanilla/vanillasynthesis.py
+++ b/ILP/Vanilla/vanillasynthesis.py
@@ -80,13 +80,17 @@ def main():
     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
     NMR2 = [0.54, 0.71, 0.4, 0.5, 0.37, 0.24, 0.62, 0.51]
-    #Change to only have one likelihood, where with manual order association
-    NMRE = [0.0, 0.65, 0.38, 0.25, 0.37, 0.24, 0.62, 0.0]
 
     #Chosable parameters
     modes = ["Product", "Average"]
     mode = modes[0] 
     normalize = False
+    
+    if normalize:
+        NMR1 = [round(l/sum(NMR1), 2) for l in NMR1]
+        NMR2 = [round(l/sum(NMR2), 2) for l in NMR2]
+    #Change to only have one likelihood, where with manual order association
+    NMRE = [0.0, NMR1[1], NMR1[2], NMR1[3], NMR2[4], NMR2[5], NMR2[6], 0.0]
 
     #Kombiniert Molekül mit Wahrscheinlichkeit für NMR1:
     VERTICE1 = {}