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Package CHEM :: Package CombiCDB :: Module ReactionScore :: Class RingStrainScore
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Class RingStrainScore



MolScore --+
           |
          RingStrainScore
Apply penalties for ring strain

Instance Methods [hide private]
 
score(self, mol)
Overide this method to return numerical score of this mol

Inherited from MolScore: __call__, __init__

Class Variables [hide private]
  RING_PENALTY_TABLE = [(3, 27.6), (4, 26.4), (5, 6.5), (7, 6.4)...
Method Details [hide private]

score(self, mol)

 
Overide this method to return numerical score of this mol
Overrides: MolScore.score
(inherited documentation)

Class Variable Details [hide private]

RING_PENALTY_TABLE

Value:
[(3, 27.6), (4, 26.4), (5, 6.5), (7, 6.4), (8, 10.0), (10, 12.0),]

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