Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::SwooseUtilities::SubsystemGenerator Member List

This is the complete list of members for Scine::SwooseUtilities::SubsystemGenerator, including all inherited members.

generateSubsystem(int centralAtomIndex, std::vector< int > &atomIndexMapping, double subsystemRadius)Scine::SwooseUtilities::SubsystemGenerator
SubsystemGenerator(const Utils::AtomCollection &fullStructure, const Utils::BondOrderCollection &bondOrders, FragmentAnalyzer &fragmentAnalyzer, double bondOrderThreshold, int maximumSubsystemSize, Core::Log &log, int randomSeed=42, double probabilityToDivideBond=1.0)Scine::SwooseUtilities::SubsystemGenerator