Package CHEM :: Package CombiCDB :: Module ReactionScore :: Class ChargeSeparationScore

Class ChargeSeparationScore

MolScore --+
           |
          ChargeSeparationScore

Apply a penalty based on separation of positive and negative charges, particularly if they are right next to each other. If they are distanced by a few bonds, the penalty is reduced.

http://en.wikipedia.org/wiki/Coulomb's_law

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]

SCALAR = 1

BOND_LENGTH = 1.4e-10

Method Details

[hide private]

score(self, mol)

Overide this method to return numerical score of this mol

Overrides: MolScore.score: (inherited documentation)