TitrationTest.cpp File Reference

#include "Files/tests_file_location.h"
#include <Swoose/MMParametrization/MMParametrizationSettings.h>
#include <Swoose/MMParametrization/ParametrizationData.h>
#include <Swoose/MMParametrization/ParametrizationUtils/TitrationHelper.h>
#include <Swoose/MMParametrization/ReferenceCalculationHelpers/ReferenceCalculationsIO.h>
#include <Swoose/StructurePreparation/StructurePreparationHelper.h>
#include <Swoose/StructurePreparation/StructureProcessor.h>
#include <Swoose/Utilities/TitrationFileHandler.h>
#include <Utils/IO/ChemicalFileFormats/ChemicalFileHandler.h>
#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>
#include <Utils/IO/NativeFilenames.h>
#include <gmock/gmock.h>

Include dependency graph for TitrationTest.cpp:

Classes
class	Scine::Tests::ATitrationTest

Functions
	Scine::Tests::TEST_F (ATitrationTest, TitrationSiteFileIsParsedCorrectly)
	Scine::Tests::TEST_F (ATitrationTest, ProtonationStateIsChangesCorrectly)
	Scine::Tests::TEST_F (ATitrationTest, EnergiesAndStructuresAreParsedCorrectlyInReadMode)

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.