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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: KernelClone_bench.C,v 1.4 2002/12/21 16:46:18 oliver Exp $
#include <BALLBenchmarkConfig.h>
#include <BALL/CONCEPT/benchmark.h>
///////////////////////////
#include <BALL/KERNEL/system.h>
#include <BALL/FORMAT/PDBFile.h>
#include <BALL/STRUCTURE/fragmentDB.h>
///////////////////////////
using namespace BALL;
START_BENCHMARK(KernelIteration, 1.0, "$Id: KernelClone_bench.C,v 1.4 2002/12/21 16:46:18 oliver Exp $")
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
PDBFile infile(BALL_BENCHMARK_DATA_PATH(AmberFF_bench.pdb));
System S1;
infile >> S1;
infile.close();
System S;
Molecule* M = new Molecule;
S.insert(*M);
for (Position i = 0; i < 700; i++)
{
M->insert(*new Atom);
}
START_SECTION(Cloning w/o bonds, 1.0)
for (int count = 0; count < 200; count++)
{
System S2;
START_TIMER
S2 = *static_cast<System*>(S.create(true));
STOP_TIMER
S2.clear();
}
END_SECTION
AtomIterator it(M->beginAtom());
Atom* last = &*it;
for (++it; +it; ++it)
{
it->createBond(*last);
last = &*it;
}
START_SECTION(Cloning, 1.0)
for (int count = 0; count < 200; count++)
{
System S2;
START_TIMER
S2 = *static_cast<System*>(S.create(true));
STOP_TIMER
S2.clear();
}
END_SECTION
START_SECTION(Creation, 1.0)
for (int count = 0; count < 300; count++)
{
for (int i = 0; i < 700; i++)
{
START_TIMER
Atom* a = new Atom;
STOP_TIMER
delete a;
}
}
END_SECTION
START_SECTION(Assignment, 1.0)
for (int count = 0; count < 200; count++)
{
Atom atom;
for (int i = 0; i < 700; i++)
{
Atom* a = new Atom;
START_TIMER
*a = atom;
STOP_TIMER
delete a;
}
}
END_SECTION
START_SECTION(Cloning (create), 1.0)
for (int count = 0; count < 300; count++)
{
Atom atom;
for (int i = 0; i < 700; i++)
{
Atom* a;
START_TIMER
a = (Atom*)atom.create();
STOP_TIMER
delete a;
}
}
END_SECTION
START_SECTION(Insertion, 1.0)
for (int count = 0; count < 300; count++)
{
for (int i = 0; i < 700; i++)
{
Molecule M;
Atom* a = new Atom;
START_TIMER
M.insert(*a);
STOP_TIMER
}
}
END_SECTION
AtomIterator ai(S.beginAtom());
for (; +ai; ++ai)
{
ai->destroyBonds();
}
START_SECTION(Deleting, 1.0)
for (int count = 0; count < 200; count++)
{
System S2;
S2 = *static_cast<System*>(S.create(true));
START_TIMER
S2.destroy();
STOP_TIMER
}
END_SECTION
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_BENCHMARK
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