ParametrizationOfLargeSystemsTest.cpp File Reference

#include "Files/tests_file_location.h"
#include <Core/Log.h>
#include <Molassembler/Graph.h>
#include <Molassembler/Interpret.h>
#include <Molassembler/Molecule.h>
#include <Swoose/MMParametrization/MMParametrizationSettings.h>
#include <Swoose/MMParametrization/MolecularSystemPartitioner.h>
#include <Swoose/MMParametrization/ParametrizationData.h>
#include <Swoose/MMParametrization/ParametrizationUtils/AtomicChargesAssembler.h>
#include <Swoose/MMParametrization/ParametrizationUtils/ConnectivityGenerator.h>
#include <Swoose/MMParametrization/ParametrizationUtils/FullHessianAssembler.h>
#include <Swoose/MMParametrization/ParametrizationUtils/SuperfluousFragmentIdentifier.h>
#include <Swoose/MolecularMechanics/SFAM/SfamAtomTypeIdentifier.h>
#include <Swoose/MolecularMechanics/Topology/IndexedStructuralTopologyCreator.h>
#include <Utils/Bonds/BondDetector.h>
#include <Utils/Geometry/ElementInfo.h>
#include <Utils/IO/ChemicalFileFormats/ChemicalFileHandler.h>
#include <gmock/gmock.h>
#include <boost/filesystem.hpp>
#include <numeric>

Include dependency graph for ParametrizationOfLargeSystemsTest.cpp:

Classes
class	Scine::Tests::AParametrizationOfLargeSystemsTest
	Tests the automated parametrization for large molecular systems. More...

Functions
	Scine::Tests::TEST_F (AParametrizationOfLargeSystemsTest, FragmentOfDermcidinIsFragmentedCorrectly)
	Scine::Tests::TEST_F (AParametrizationOfLargeSystemsTest, TopologyIsGeneratedCorrectlyForDermcidin)
	Scine::Tests::TEST_F (AParametrizationOfLargeSystemsTest, FullHessianAssemblerWorksCorrectly)
	Scine::Tests::TEST_F (AParametrizationOfLargeSystemsTest, AtomicChargesAssemblerWorksCorrectly)

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.