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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/STRUCTURE/connectedComponentsProcessor.h>
#include <BALL/FORMAT/MOL2File.h>
#include <BALL/KERNEL/system.h>
///////////////////////////
using namespace BALL;
START_TEST(ConnectedComponentsProcessor)
PRECISION(1e-5)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
ConnectedComponentsProcessor* ccp;
CHECK(ConnectedComponentsProcessor())
ccp = new ConnectedComponentsProcessor();
TEST_NOT_EQUAL(ccp,0)
RESULT
CHECK(~ConnectedComponentsProcessor())
delete ccp;
RESULT
CHECK( operator() )
ConnectedComponentsProcessor ccp;
System sys;
MOL2File mol(BALL_TEST_DATA_PATH(ConnectedComponentsProcessor_test.mol2), std::ios::in);
mol >> sys;
sys.apply(ccp);
RESULT
//New
CHECK( applied on empty System )
ConnectedComponentsProcessor ccp;
System sys;
sys.apply(ccp);
TEST_EQUAL(ccp.getNumberOfConnectedComponents(), 0)
ConnectedComponentsProcessor::ComponentVector components;
ccp.getComponents(components);
TEST_EQUAL(components.size(), 0)
RESULT
CHECK( getNumberOfConnectedComponents() )
ConnectedComponentsProcessor ccp;
System sys;
MOL2File mol(BALL_TEST_DATA_PATH(ConnectedComponentsProcessor_test.mol2), std::ios::in);
mol >> sys;
sys.apply(ccp);
TEST_EQUAL(ccp.getNumberOfConnectedComponents(), 2)
RESULT
CHECK( splitIntoMolecules() )
ConnectedComponentsProcessor ccp;
System sys;
MOL2File mol(BALL_TEST_DATA_PATH(ConnectedComponentsProcessor_test.mol2), std::ios::in);
mol >> sys;
sys.apply(ccp);
ConnectedComponentsProcessor::MolVec molecules;
ccp.getAllComponents(molecules);
for (
ConnectedComponentsProcessor::MolVec::iterator m_it = molecules.begin();
m_it != molecules.end(); ++m_it)
{
TEST_EQUAL( (*m_it).countAtoms(), 10)
}
RESULT
CHECK( splitIntoMolecules() twice )
ConnectedComponentsProcessor ccp;
System sys;
MOL2File mol(BALL_TEST_DATA_PATH(ConnectedComponentsProcessor_test.mol2), std::ios::in);
mol >> sys;
sys.apply(ccp);
ConnectedComponentsProcessor::MolVec molecules0;
ccp.getAllComponents(molecules0);
System sys2;
for (
ConnectedComponentsProcessor::MolVec::iterator m_it = molecules0.begin();
m_it != molecules0.end(); ++m_it)
{
sys2.insert(*m_it);
}
sys2.apply(ccp);
ConnectedComponentsProcessor::MolVec molecules1;
ccp.getAllComponents(molecules1);
for (
ConnectedComponentsProcessor::MolVec::iterator m_it = molecules1.begin();
m_it != molecules1.end(); ++m_it)
{
TEST_EQUAL( (*m_it).countAtoms(), 10)
}
RESULT
CHECK( getComponents() )
ConnectedComponentsProcessor ccp;
System sys;
MOL2File mol(BALL_TEST_DATA_PATH(ConnectedComponentsProcessor_test.mol2), std::ios::in);
mol >> sys;
sys.apply(ccp);
ConnectedComponentsProcessor::ComponentVector components;
ccp.getComponents(components);
TEST_EQUAL(components.size(), 2)
TEST_EQUAL(components[0].size(), 10)
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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