Dateien nach "ILP/Vanilla" hochladen

2026-09-18 12:42:06 +02:00
parent cc702732e7
commit dced90a8cb
2 changed files with 14 additions and 9 deletions
@@ -280,17 +280,17 @@ def main():
            for correctionvalue in correctionvalues: 
                spectrumrefcorrected = correction(spectrumref, correctionvalue) #CCAFFEINE 11 (klappt hier sehr gut) CCAFFEINE2 12 CPARAXANTHINE 10 CNMR1 9, 10 o 11 (sehr gut) CNMR2 10 o 11
                similaritylist = []
-                binwidthlist = np.arange(0.1, 3.9, 0.1)
+                binwidthlist = np.arange(0.1, 1.1, 0.1)
                for i in binwidthlist:
                    similaritylist.append(similarity_nmr(spectrumtrue, spectrumrefcorrected, i))
                similaritymean = sum(similaritylist) / len(similaritylist)
                similaritybycorrection.append(similaritymean)
            likelihoods.append(sum(similaritybycorrection)/len(similaritybycorrection))
-    if normalize:
-        normalizedlikelihood = [round(likelihood/np.sum(likelihoods), 2) for likelihood in likelihoods]
-        print(normalizedlikelihood)
-    if not normalize:
-        notnormalizedlikelihood = [round(likelihood, 2) for likelihood in likelihoods]
-        print(notnormalizedlikelihood)
+        if normalize:
+            normalizedlikelihood = [round(likelihood/np.sum(likelihoods), 2) for likelihood in likelihoods]
+            print(normalizedlikelihood)
+        if not normalize:
+            notnormalizedlikelihood = [round(likelihood, 2) for likelihood in likelihoods]
+            print(notnormalizedlikelihood)
 if __name__ == "__main__":
    main()