Dateien nach "ILP/butadien" hochladen

Adapted for Likelihood multiplication
2026-09-04 11:23:16 +02:00
parent cfbf6a6ced
commit 6a4454bdc2
2 changed files with 93 additions and 75 deletions
@@ -268,14 +268,15 @@ def main():
    spectra = [CBUTADIEN, CP0, CP1, CP2, CP3, CP4, CP5, CP6, CP7, CP8, CP9, CP10, CP11, CP12, CP13, CP14, CP15, CP16, CP17, CP18]
    spectranames = ['C=CC=C or Butadien', 'C=C or Ethyen or CP0', 'C=CC=CC=C or Hexatrien or CP1', 'C1CCC(C=C)CC=1 or CP2', 'C(CCC(C=C)CC=C)=C or CP3', 'C=CC=CC=CC=C or Octatetraen or CP4', 'C1CCC(C=CC=C)CC=1 or CP5', 'C=CC1C=CCCC1 or CP6', 'C1CCCCC=1 or Cyclohexen or CP7', 'C=CC1CC=CCC1C=C or CP8', 'C1CCC(C=C)C(C=C)C=1 or CP9', 'C(C1CC(C=C)C=CC1)=C or CP10', 'C1C=CC=CC=1 or CP11', 'C(CCC1C=CC=CC1)=C or CP12', 'C1C(C=CC=C)CCCC=1 or CP13', 'C=CC(C=C)CCCC=C or CP14', 'C=CCCCCC=C or CP15', 'C=CC1C=CC(C=C)CC1 or CP16', 'C1CC2CCCCC2CC=1 or CP17', 'C1CC2C=CC=CC2CC=1 or CP18']
    for spectrumref in spectrumrefs:
-        likelihood = []
+        likelihoods = []
        for spectrumtrue in spectra:
            similaritylist = []
            binwidthlist = np.arange(0.1, 1.1, 0.1)
            for i in binwidthlist:
                similaritylist.append(similarity_nmr(spectrumtrue, spectrumref, i))
-            similaritymean = round(sum(similaritylist) / len(similaritylist), 2)
-            likelihood.append(similaritymean)
-        print(likelihood)
+            similaritymean = sum(similaritylist) / len(similaritylist)
+            likelihoods.append(similaritymean)
+        normalizedlikelihood = [round(likelihood/np.sum(likelihoods), 2) for likelihood in likelihoods]
+        print(normalizedlikelihood)
 if __name__ == "__main__":
    main()