source: src/unittests/MoleculeUnitTest.hpp@ 4a187d

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Last change on this file since 4a187d was aeb694, checked in by Frederik Heber <heber@…>, 11 years ago

Added molecule::getBoundingShape() (renamed old to ...Sphere()).

  • renamed molecule::getBoundingShape() to molecule::getBoundingSphere().
  • new molecule::getBoundingShape() creates vdW spheres around every atom.
  • for this to be any fast we require the Cacheable change for And and OrShapes.
  • Property mode set to 100644
File size: 980 bytes
Line 
1/*
2 * MoleculeUnitTest.hpp
3 *
4 * Created on: Mar 19, 2012
5 * Author: heber
6 */
7
8#ifndef MOLECULEUNITTEST_HPP_
9#define MOLECULEUNITTEST_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include <cppunit/extensions/HelperMacros.h>
18
19#include <vector>
20
21class atom;
22class molecule;
23
24class MoleculeUnittest : public CppUnit::TestFixture
25{
26 CPPUNIT_TEST_SUITE( MoleculeUnittest );
27 CPPUNIT_TEST ( getBoundingSphereTest_linearchain );
28 CPPUNIT_TEST ( getBoundingSphereTest_vshaped );
29 CPPUNIT_TEST ( getBoundingShapeTest_linearchain );
30 CPPUNIT_TEST ( getBoundingShapeTest_vshaped );
31 CPPUNIT_TEST_SUITE_END();
32
33public:
34 void setUp();
35 void tearDown();
36
37 void getBoundingSphereTest_linearchain();
38 void getBoundingSphereTest_vshaped();
39 void getBoundingShapeTest_linearchain();
40 void getBoundingShapeTest_vshaped();
41
42private:
43 std::vector<atom *> atomVector;
44 molecule *mol;
45
46 static size_t MaxAtoms;
47};
48
49#endif /* MOLECULEUNITTEST_HPP_ */
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