source: src/unittests/MoleculeUnitTest.hpp@ aec098

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Last change on this file since aec098 was c67ff9, checked in by Frederik Heber <heber@…>, 13 years ago

Added molecule::getBoundingShape() and unit test MoleculeUnitTest on it.

  • We now simply have a function to get a sphere as a suitable bounding shape which allows easy construction of a new cluster.
  • Property mode set to 100644
File size: 792 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 ( getBoundingShapeTest_linearchain );
28 CPPUNIT_TEST ( getBoundingShapeTest_vshaped );
29 CPPUNIT_TEST_SUITE_END();
30
31public:
32 void setUp();
33 void tearDown();
34
35 void getBoundingShapeTest_linearchain();
36 void getBoundingShapeTest_vshaped();
37
38private:
39 std::vector<atom *> atomVector;
40 molecule *mol;
41
42 static size_t MaxAtoms;
43};
44
45#endif /* MOLECULEUNITTEST_HPP_ */
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