source: src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp@ 35d171

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Last change on this file since 35d171 was 1413f4, checked in by Frederik Heber <heber@…>, 11 years ago

Added LennardJones pair potential.

  • this is for later fitting between order-1 fragments.
  • also added regression test for LJ fitting.
  • Property mode set to 100644
File size: 1.0 KB
Line 
1/*
2 * PairPotential_LennardJonesUnitTest.hpp
3 *
4 * Created on: Jul 05, 2013
5 * Author: heber
6 */
7
8#ifndef PAIRPOTENTIAL_LENNARDJONESUNITTEST_HPP_
9#define PAIRPOTENTIAL_LENNARDJONESUNITTEST_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <vector>
17
18#include <cppunit/extensions/HelperMacros.h>
19
20/********************************************** Test classes **************************************/
21
22class PairPotential_LennardJonesTest : public CppUnit::TestFixture
23{
24 CPPUNIT_TEST_SUITE( PairPotential_LennardJonesTest) ;
25 CPPUNIT_TEST ( operatorTest );
26 CPPUNIT_TEST ( derivativeTest );
27 CPPUNIT_TEST ( parameter_derivativeTest );
28 CPPUNIT_TEST_SUITE_END();
29
30public:
31 void setUp();
32 void tearDown();
33 void operatorTest();
34 void derivativeTest();
35 void parameter_derivativeTest();
36
37
38private:
39 typedef std::vector<double> data_t;
40 data_t input;
41 data_t output;
42 double epsilon, sigma;
43};
44
45#endif /* PAIRPOTENTIAL_LENNARDJONESUNITTEST_HPP_ */
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