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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
///////////////////////////
#include <BALL/MOLMEC/COMMON/forceField.h>
#include <BALL/KERNEL/system.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/KERNEL/molecule.h>
///////////////////////////
START_TEST(ForceField)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
ForceField* ff = 0;
CHECK(ForceField())
ff = new ForceField;
TEST_NOT_EQUAL(ff, 0)
RESULT
CHECK(~ForceField())
delete ff;
RESULT
CHECK(bool ForceField::isValid() const)
const ForceField* ff = new ForceField;
TEST_NOT_EQUAL(ff, 0)
TEST_EQUAL(ff->isValid(), false)
delete ff;
RESULT
CHECK(ForceField(System& system))
System S;
ForceField ff(S);
TEST_EQUAL(ff.isValid(), true)
RESULT
CHECK(ForceField::ForceField(const ForceField& force_field))
ForceField ff;
TEST_EQUAL(ff.isValid(), false)
ForceField* ff_ptr = new ForceField(ff);
TEST_EQUAL(ff_ptr->isValid(), false)
delete ff_ptr;
RESULT
/* ??????
ForceField(System& system, const Options& options);
virtual void clear()
throw();
ForceField& operator = (const ForceField& force_field);
bool setup(System& system);
bool setup(System& system, const Options& options);
virtual bool specificSetup();
void setName(const String& name);
String getName() const;
Size getNumberOfAtoms() const;
Size getNumberOfMovableAtoms() const;
const AtomVector& getAtoms() const;
System* getSystem();
const System* getSystem() const;
bool getUseSelection();
void setUseSelection(bool use_selection);
ForceFieldParameters& getParameters();
Size countComponents() const;
const TimeStamp& getUpdateTime() const
throw();
const TimeStamp& getSetupTime() const
throw();
void insertComponent(ForceFieldComponent* force_field_component);
void removeComponent(const ForceFieldComponent* force_field_component);
void removeComponent(const String& name);
ForceFieldComponent* getComponent(const Size index) const;
ForceFieldComponent* getComponent(const String& name) const;
double getEnergy() const;
double updateEnergy();
void updateForces();
double getRMSGradient() const;
virtual Size getUpdateFrequency() const;
virtual void update();
*/
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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