Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since 4d08b7 was 484e2a, checked in by Frederik Heber <heber@…>, 12 years ago |
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Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
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-
Property mode
set to
100644
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File size:
1.1 KB
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| [c92c0d] | 1 | /*
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| [484e2a] | 2 | * ThreeBodyPotential_AngleUnitTest.hpp
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| [c92c0d] | 3 | *
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| 4 | * Created on: Oct 16, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| [484e2a] | 8 | #ifndef THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_
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| 9 | #define THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_
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| [c92c0d] | 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include <cppunit/extensions/HelperMacros.h>
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| 18 |
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| 19 | #include "FunctionApproximation/FunctionModel.hpp"
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| 20 |
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| [484e2a] | 21 | class ThreeBodyPotential_Angle;
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| [c92c0d] | 22 |
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| 23 | /********************************************** Test classes **************************************/
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| 24 |
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| [484e2a] | 25 | class ThreeBodyPotential_AngleTest : public CppUnit::TestFixture
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| [c92c0d] | 26 | {
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| [484e2a] | 27 | CPPUNIT_TEST_SUITE( ThreeBodyPotential_AngleTest) ;
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| [c92c0d] | 28 | CPPUNIT_TEST ( operatorTest );
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| 29 | CPPUNIT_TEST ( derivativeTest );
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| 30 | CPPUNIT_TEST ( parameter_derivativeTest );
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| 31 | CPPUNIT_TEST_SUITE_END();
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| 32 |
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| 33 | public:
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| 34 | void setUp();
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| 35 | void tearDown();
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| 36 | void operatorTest();
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| 37 | void derivativeTest();
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| 38 | void parameter_derivativeTest();
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| 39 |
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| 40 | private:
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| 41 | typedef std::vector<double> data_t;
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| 42 | std::vector<FunctionModel::arguments_t> input;
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| 43 | data_t output;
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| 44 | };
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| 45 |
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| [484e2a] | 46 | #endif /* THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_ */
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