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

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

readTitrationSitesFromFile(MMParametrization::TitrationResults &results, std::string titrationSiteFile, int numberOfAtoms, int numberOfFragments, std::map< int, std::string > &sites, std::vector< bool > &siteIsPhSensitive) (defined in Scine::SwooseUtilities::TitrationFileHandler)Scine::SwooseUtilities::TitrationFileHandlerstatic
TitrationFileHandler()=delete (defined in Scine::SwooseUtilities::TitrationFileHandler)Scine::SwooseUtilities::TitrationFileHandler
writeTitrationSitesFile(std::string titrationSiteFile, std::vector< StructurePreparation::TitrableSite > titrableSites) (defined in Scine::SwooseUtilities::TitrationFileHandler)Scine::SwooseUtilities::TitrationFileHandlerstatic