Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ParseParticles_split_forward_backward_Actions
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Last change
on this file since ee19b7 was 691be4, checked in by Frederik Heber <heber@…>, 13 years ago |
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FunctionArgument now contains charges, too, and rewrote Extractors accordingly.
- gatherDistancesFromFragment is now what we mostly want: Returns exactly the
arguments in the way we specify.
- PairPotential_AngleUnitTest now has gives additional types to potential's
cstor.
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Property mode
set to
100644
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File size:
1.0 KB
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| 1 | /*
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| 2 | * ExtractorsUnitTest.hpp
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| 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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| 8 | #ifndef FUNCTIONARGUMENTUNITTEST_HPP_
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| 9 | #define FUNCTIONARGUMENTUNITTEST_HPP_
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| 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 | /********************************************** Test classes **************************************/
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| 20 |
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| 21 | class ExtractorsTest : public CppUnit::TestFixture
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| 22 | {
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| 23 | CPPUNIT_TEST_SUITE( ExtractorsTest) ;
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| 24 | CPPUNIT_TEST ( gatherAllDistanceArgumentsTest );
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| 25 | CPPUNIT_TEST ( reorderArgumentsByIncreasingDistanceTest );
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| 26 | CPPUNIT_TEST ( gatherPositionsFromFragmentTest );
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| 27 | CPPUNIT_TEST ( gatherDistancesFromFragmentTest );
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| 28 | CPPUNIT_TEST_SUITE_END();
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| 29 |
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| 30 | public:
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| 31 | void setUp();
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| 32 | void tearDown();
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| 33 | void gatherAllDistanceArgumentsTest();
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| 34 | void reorderArgumentsByIncreasingDistanceTest();
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| 35 | void gatherPositionsFromFragmentTest();
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| 36 | void gatherDistancesFromFragmentTest();
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| 37 |
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| 38 | private:
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| 39 | };
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| 40 |
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| 41 | #endif /* FUNCTIONARGUMENTUNITTEST_HPP_ */
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