Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Static Public Member Functions | List of all members
Scine::SwooseUtilities::TitrationFileHandler Class Reference
Collaboration diagram for Scine::SwooseUtilities::TitrationFileHandler:
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Static Public Member Functions

static void writeTitrationSitesFile (std::string titrationSiteFile, std::vector< StructurePreparation::TitrableSite > titrableSites)
 
static void readTitrationSitesFromFile (MMParametrization::TitrationResults &results, std::string titrationSiteFile, int numberOfAtoms, int numberOfFragments, std::map< int, std::string > &sites, std::vector< bool > &siteIsPhSensitive)
 
The documentation for this class was generated from the following files: