QmmmTest.cpp File Reference

#include "Files/tests_file_location.h"
#include "TestUtilities/MockQmCalculator.h"
#include <Core/ModuleManager.h>
#include <Swoose/MolecularMechanics/SFAM/SfamCalculatorSettings.h>
#include <Swoose/MolecularMechanics/SFAM/SfamMolecularMechanicsCalculator.h>
#include <Swoose/QMMM/QmmmCalculator.h>
#include <Swoose/QMMM/QmmmCalculatorSettings.h>
#include <Utils/IO/ChemicalFileFormats/ChemicalFileHandler.h>
#include <gmock/gmock.h>
#include <boost/filesystem/operations.hpp>

Include dependency graph for QmmmTest.cpp:

Classes
class	Scine::Tests::QmmmTest
	Tests the functionality of some helper functions which are applied in the QM/MM calculator. More...

Functions
	Scine::Tests::TEST_F (QmmmTest, QmmmSettingsWorkCorrectly)
	Scine::Tests::TEST_F (QmmmTest, QmmmCalculationWorksForMelatonin)

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.