SaturateAtoms_singleDegree
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Last change
on this file since bcf13b was bcf13b, checked in by Frederik Heber <heber@…>, 9 years ago |
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Using the idea of three points giving a triangle to find rotation axis.
- we calculate the center of either triangle and rotate the center of the
ideal point distribution to match the one from the given points.
- next we have the triangles normals as axis, take the first matching point
and rotate align it.
- we have to deal with a lot of special cases: What if only zero, one, or
two points are given ...
- in general we assume that the triangle lies relatively flat on the sphere's
surface but what if the origin is in the triangle plane or even the
calculated center is at the origin ...
- TESTS: SphericalPointDistributionUnitTest working again, regression tests
FragmentMolecule-cylces and StoreSaturatedFragment working.
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-
Property mode
set to
100644
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File size:
1.5 KB
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| 1 | /*
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| 2 | * SphericalPointDistributionUnitTest.hpp
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| 3 | *
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| 4 | * Created on: May 29, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SPHERICALPOINTDISTRIBUTIONUNITTEST_HPP_
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| 9 | #define SPHERICALPOINTDISTRIBUTIONUNITTEST_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 SphericalPointDistributionTest : public CppUnit::TestFixture
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| 22 | {
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| 23 | CPPUNIT_TEST_SUITE( SphericalPointDistributionTest) ;
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| 24 | CPPUNIT_TEST ( areEqualToWithinBoundsTest );
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| 25 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_2 );
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| 26 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_3 );
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| 27 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_4 );
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| 28 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_5 );
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| 29 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_6 );
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| 30 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_7 );
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| 31 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_8 );
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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 | void areEqualToWithinBoundsTest();
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| 38 | void matchSphericalPointDistributionsTest_2();
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| 39 | void matchSphericalPointDistributionsTest_3();
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| 40 | void matchSphericalPointDistributionsTest_4();
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| 41 | void matchSphericalPointDistributionsTest_5();
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| 42 | void matchSphericalPointDistributionsTest_6();
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| 43 | void matchSphericalPointDistributionsTest_7();
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| 44 | void matchSphericalPointDistributionsTest_8();
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| 45 |
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| 46 | private:
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| 47 | };
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| 48 |
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| 49 | #endif /* SPHERICALPOINTDISTRIBUTIONUNITTEST_HPP_ */
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