vermouth.processors.processor module¶
Provides an abstract base class for processors.
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class
vermouth.processors.processor.
Processor
[source]¶ Bases:
object
An abstract base class for processors. Subclasses must implement a run_molecule method.
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run_molecule
(molecule)[source]¶ Process a single molecule. Must be implemented by subclasses.
- Parameters
molecule (vermouth.molecule.Molecule) – The molecule to process.
- Returns
Either the provided molecule, or a brand new one.
- Return type
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run_system
(system)[source]¶ Process system.
- Parameters
system (vermouth.system.System) – The system to process. Is modified in-place.
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