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Scine::Swoose
2.1.0
This is the SCINE module Swoose.
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Public Member Functions | |
| void | SetUp () override |
Public Attributes | |
| StructureProcessor | preparator |
| ParametrizationData | data |
| StructurePreparationFiles | files |
| TitrationResults | results |
| std::string | systemName = "plastocyanin" |
| Core::Log | silentLogger = Core::Log::silent() |
| std::shared_ptr< Utils::Settings > | settings = std::make_shared<MMParametrizationSettings>() |