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#include <BALL/CONCEPT/classTest.h>
#include <BALL/DOCKING/COMMON/dockResult.h>
///////////////////////////
START_TEST(DockResult)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
DockResult* dr;
CHECK(DockResult() throw())
dr = new DockResult;
TEST_NOT_EQUAL(dr, 0)
TEST_EQUAL(dr->getConformationSet(), 0)
TEST_EQUAL(dr->isSortedBy(), 0)
TEST_EQUAL(dr->getDockingAlgorithm(), "")
RESULT
CHECK(DockResult(const String& docking_algorithm,ConformationSet* conformation_set,const Options& docking_options) throw())
ConformationSet *cs = new ConformationSet;
Options opt;
DockResult dr2("alg_name",cs,opt);
TEST_NOT_EQUAL(dr2.getConformationSet(), 0)
TEST_EQUAL(dr2.getDockingAlgorithm(), "alg_name")
//TEST_EQUAL(dr2.getDockingOptions(), opt)
TEST_EQUAL(dr2.isSortedBy(), 0)
RESULT
Options s_opt;
CHECK(addScoring(const String& name, const Options& options, vector<ConformationSet::Conformation> scores) throw())
vector<ConformationSet::Conformation> conf;
conf.push_back(ConformationSet::Conformation(0,2.3));
conf.push_back(ConformationSet::Conformation(1,3.5));
conf.push_back(ConformationSet::Conformation(2,1.2));
conf.push_back(ConformationSet::Conformation(3,5.7));
conf.push_back(ConformationSet::Conformation(4,4.0));
dr->addScoring("scoring_name", s_opt,conf);
vector<ConformationSet::Conformation> conf_check = dr->getScores(0);
TEST_EQUAL(conf_check.size(),5)
TEST_EQUAL(conf_check[0].first, 2)
TEST_REAL_EQUAL(conf_check[0].second, 1.2)
TEST_EQUAL(conf_check[1].first, 0)
TEST_REAL_EQUAL(conf_check[1].second, 2.3)
TEST_EQUAL(conf_check[2].first, 1)
TEST_REAL_EQUAL(conf_check[2].second, 3.5)
TEST_EQUAL(conf_check[3].first, 4)
TEST_REAL_EQUAL(conf_check[3].second, 4.0)
TEST_EQUAL(conf_check[4].first, 3)
TEST_REAL_EQUAL(conf_check[4].second, 5.7)
RESULT
CHECK(void sortBy(Index scoring_index))
vector<ConformationSet::Conformation> conf2;
conf2.push_back(ConformationSet::Conformation(4,2.1));
conf2.push_back(ConformationSet::Conformation(3,2.1));
conf2.push_back(ConformationSet::Conformation(1,1.4));
conf2.push_back(ConformationSet::Conformation(2,5.7));
conf2.push_back(ConformationSet::Conformation(0,1.0));
dr->addScoring("scoring_name2", s_opt,conf2);
dr->sortBy(1);
TEST_EQUAL(dr->isSortedBy(),1)
RESULT
CHECK(float operator()(Position i, Position j))
TEST_REAL_EQUAL((*dr)(0,0),2.3)
TEST_REAL_EQUAL((*dr)(1,0),3.5)
TEST_REAL_EQUAL((*dr)(2,0),4.0)
TEST_REAL_EQUAL((*dr)(3,0),5.7)
TEST_REAL_EQUAL((*dr)(4,0),1.2)
TEST_REAL_EQUAL((*dr)(0,1),1.0)
TEST_REAL_EQUAL((*dr)(1,1),1.4)
TEST_REAL_EQUAL((*dr)(2,1),2.1)
TEST_REAL_EQUAL((*dr)(3,1),2.1)
TEST_REAL_EQUAL((*dr)(4,1),5.7)
dr->sortBy(-1);
TEST_REAL_EQUAL((*dr)(0,0),2.3)
TEST_REAL_EQUAL((*dr)(1,0),3.5)
TEST_REAL_EQUAL((*dr)(2,0),1.2)
TEST_REAL_EQUAL((*dr)(3,0),5.7)
TEST_REAL_EQUAL((*dr)(4,0),4.0)
TEST_REAL_EQUAL((*dr)(0,1),1.0)
TEST_REAL_EQUAL((*dr)(1,1),1.4)
TEST_REAL_EQUAL((*dr)(2,1),5.7)
TEST_REAL_EQUAL((*dr)(3,1),2.1)
TEST_REAL_EQUAL((*dr)(4,1),2.1)
RESULT
CHECK(~DockResult() throw())
delete dr;
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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