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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/DOCKING/COMMON/conformationSet.h>
#include <BALL/FORMAT/PDBFile.h>
#include <BALL/FORMAT/DCDFile.h>
///////////////////////////
using namespace BALL;
START_TEST(ConformationSet)
ConformationSet* cs;
CHECK(ConformationSet())
cs = new ConformationSet();
TEST_NOT_EQUAL(cs,0)
RESULT
CHECK(~ConformationSet())
delete cs;
RESULT
CHECK(readDCDFile())
ConformationSet cs;
cs.readDCDFile(BALL_TEST_DATA_PATH(ConformationSet_test.dcd));
cs.resetScoring();
TEST_EQUAL(cs.size(), 10)
RESULT
CHECK(writeDCDFile(const String& filename, const Size num = 0))
ConformationSet cs;
PDBFile pdb(BALL_TEST_DATA_PATH(ConformationSet_test.pdb));
System sys;
pdb.read(sys);
cs.setup(sys);
cs.readDCDFile(BALL_TEST_DATA_PATH(ConformationSet_test.dcd));
cs.resetScoring();
String tmp_filename;
NEW_TMP_FILE(tmp_filename)
cs.writeDCDFile(tmp_filename);
TEST_FILE(tmp_filename.c_str(), BALL_TEST_DATA_PATH(ConformationSet_test.dcd))
RESULT
CHECK(setup())
PDBFile pdb(BALL_TEST_DATA_PATH(ConformationSet_test.pdb));
System sys;
pdb.read(sys);
ConformationSet cs;
cs.setup(sys);
TEST_EQUAL(sys.getProtein(0)->countAtoms(), 2145)
RESULT
/////////////////////////////////////////////////////////////
END_TEST
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