Package CHEM :: Package CombiCDB :: Module MoleculeErrorScreen :: Class MoleculeErrorScreen

Class MoleculeErrorScreen

BaseScreen.BaseScreen --+
                        |
                       MoleculeErrorScreen

Look for "error" molecules that should be eliminated from the list. In the current ChemDB, these include those with (1) "*" atoms or otherwise any atom where GetAtomicNum returns a non-positve value

Instance Methods

[hide private]

__init__(self)
Constructor.

screenMolecule(self, mol)
Primary functional method.

Inherited from BaseScreen.BaseScreen: clearParameters, getParameter, prepareParameters, runScreen, runScreenByFilename, screenSmiles, setOEIS, setOEOS, setParameter

Class Variables

[hide private]

Inherited from BaseScreen.BaseScreen: mOEIS, mOEOS, mParameters

Method Details

[hide private]

init(self)
(Constructor)

Constructor. Before executing runScreen(...), the caller should setOEIS(...) and setOEOS(...) for the input and output streams.

screenMolecule(self, mol)

Primary functional method. See class documentation for screening criteria.

Overrides: BaseScreen.BaseScreen.screenMolecule

Class MoleculeErrorScreen

__init__(self) (Constructor)

screenMolecule(self, mol)

init(self)
(Constructor)