Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since e08108 was 50c35d, checked in by Frederik Heber <heber@…>, 13 years ago |
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Added Line::getRotationMatrix() and RealSpaceMatrix::setRotation(Vector,double).
- setRotation() now allows to set a rotation matrix about an arbitrary axis.
- Line::getRotationMatrix() just forwards to RealSpaceMatrix::setRotation()
with its direction.
- added (simple) unit test function for both.
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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 | * LineUnittest.hpp
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| 3 | *
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| 4 | * Created on: May 27, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef LINEUNITTEST_HPP_
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| 9 | #define LINEUNITTEST_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 | #include "Line.hpp"
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| 20 |
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| 21 | class LineUnittest : public CppUnit::TestFixture
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| 22 | {
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| 23 |
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| 24 | CPPUNIT_TEST_SUITE( LineUnittest) ;
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| 25 | // CPPUNIT_TEST ( constructionErrorTest );
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| 26 | // CPPUNIT_TEST ( constructionResultTest );
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| 27 | // CPPUNIT_TEST ( isContainedTest );
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| 28 | // CPPUNIT_TEST ( intersectionTest );
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| 29 | // CPPUNIT_TEST ( rotationTest );
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| 30 | CPPUNIT_TEST ( getRotationMatrixTest );
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| 31 | // CPPUNIT_TEST ( sphereIntersectionTest );
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| 32 | CPPUNIT_TEST_SUITE_END();
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| 33 |
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| 34 | public:
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| 35 | void setUp();
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| 36 | void tearDown();
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| 37 |
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| 38 | void constructionErrorTest();
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| 39 | void constructionResultTest();
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| 40 | void isContainedTest();
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| 41 | void intersectionTest();
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| 42 | void rotationTest();
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| 43 | void getRotationMatrixTest();
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| 44 | void sphereIntersectionTest();
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| 45 |
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| 46 | private:
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| 47 | Line *la1;
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| 48 | Line *la2;
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| 49 | Line *la3;
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| 50 | Line *lp1;
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| 51 | Line *lp2;
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| 52 | Line *lp3;
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| 53 |
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| 54 | };
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| 55 |
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| 56 | #endif /* LINEUNITTEST_HPP_ */
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