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joelib.process.filter.* (14)

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joelib.process.types.* (8)

• joelib.process: Javadoc index of package joelib.process.


Package Samples:

• joelib.process.types: Provides classes for defining molecular processing modules.  
• joelib.process.filter

Classes:

• SMARTSFilter: Molecule process filter for SMARTS patterns. Example: // accept all molecules, where the molecule contains ONE NC=O group connected to an aromatic atom (aNC=O) SMARTSFilter filter =new SMARTSFilter( "aNC=O", NativeValueFilter.EQUAL, 1); // create molecule JOEMol mol=new JOEMol(); String smiles="c1cc(OH)cc1"; if (!JOESmilesParser.smiToMol(mol, smiles, setTitle.toString())); // should we accept this molecule, what do you mean ? System.out.println("Accept: ("+filter.toString()+")="+filter.accept(mol));
• NativeValueFilter: Molecule process filter for native value descriptor entries. Example: // accept all values with: Kier_shape_1
• ProcessPipe: Processing pipe for appending multiple processes combined with joelib.process.filter.Filter functionality.
• DescVarianceNorm: Scales the values in one descriptor so that they have similar magnitudes. TeX: $x_i^n$ = \frac{x_i-\overline{x}}{\sigma _i}
• RuleOf5Filter: Filter to avoid molecules with a 'poor absorption or permeability'.
• DescriptorFilter: Interface definition for calling external programs from JOELib.
• Filter: Interface definition for filter options for a molecule process.
• SelectionFilter: Interface definition for calling external programs from JOELib.
• HasAllDataFilter: Molecule process filter for available descriptor entries.
• HasDataFilter: Molecule process filter for available descriptor entries.
• FilterFactory: Factory class to get molecule process filter classes.
• JOEProcess: Interface definition for calling molecule processes.
• CreateFileName: Calling processor classes if the filter rule fits.
• DescBinning: Calling processor classes if the filter rule fits.
• DescSelectionWriter: Calling processor classes if the filter rule fits.
• DescStatistic: Calling processor classes if the filter rule fits.
• DistanceCalculation: Calling processor classes if the filter rule fits.
• MoleculeFileCreation: Calling processor classes if the filter rule fits.
• MoleculeFileDeletion: Calling processor classes if the filter rule fits.
• ProcessFactory: Factory class to get molecule processing classes.
• ANDFilter: Molecule process filter AND condition.
• NOTFilter: Molecule process filter NOT condition.
• FilterInfo: Molecule process filter informations.
• ORFilter: Molecule process filter OR condition.
• FilterException: Molecule process filter exception.

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