InteractionTermEliminatorTest.cpp File Reference

#include "Files/tests_file_location.h"
#include <Swoose/MolecularMechanics/GAFF/GaffCalculatorSettings.h>
#include <Swoose/MolecularMechanics/GAFF/GaffMolecularMechanicsCalculator.h>
#include <Swoose/MolecularMechanics/SFAM/SfamCalculatorSettings.h>
#include <Swoose/MolecularMechanics/SFAM/SfamMolecularMechanicsCalculator.h>
#include <Swoose/QMMM/InteractionTermEliminator.h>
#include <Utils/IO/ChemicalFileFormats/ChemicalFileHandler.h>
#include <Utils/IO/FormattedIOUtils.h>
#include <gmock/gmock.h>
#include <boost/filesystem.hpp>
#include <numeric>

Include dependency graph for InteractionTermEliminatorTest.cpp:

Classes
class	Scine::Tests::SfamInteractionTermEliminatorTest
	Tests the functionality of the InteractionTermEliminator class applied in QM/MM with SFAM as MM. More...
class	Scine::Tests::GaffInteractionTermEliminatorTest
	Tests the functionality of the InteractionTermEliminator class applied in QM/MM with GAFF as MM. More...

Functions
	Scine::Tests::TEST_F (SfamInteractionTermEliminatorTest, SfamInteractionTermsAreCompletelyDisabledForMelatonin)
	Scine::Tests::TEST_F (SfamInteractionTermEliminatorTest, SfamInteractionTermsArePartiallyDisabledForMelatonin)
	Scine::Tests::TEST_F (GaffInteractionTermEliminatorTest, GaffInteractionTermsAreCompletelyDisabledForAlanine)
	Scine::Tests::TEST_F (GaffInteractionTermEliminatorTest, GaffInteractionTermsArePartiallyDisabledForAlanine)

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.