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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/STRUCTURE/secondaryStructureProcessor.h>
#include <BALL/KERNEL/system.h>
#include <BALL/FORMAT/PDBFile.h>
///////////////////////////
START_TEST(SecondaryStructureProcessor)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
CHECK(Processor::Result operator() (Composite& composite))
// ???
RESULT
CHECK(SecondaryStructureProcessor())
// ???
RESULT
CHECK(void compute())
// ???
RESULT
CHECK([EXTRA]assignment for BPTI)
System S;
PDBFile f(BALL_TEST_DATA_PATH(PDBFile_test2.pdb));
f.read(S);
f.close();
TEST_EQUAL(S.countSecondaryStructures(), 7)
ABORT_IF(S.countAtoms() != 892)
String summary;
for (ResidueIterator ri(S.beginResidue()); +ri; ++ri)
{
SecondaryStructure* ss = ri->getSecondaryStructure();
if (ss == 0)
{
summary += '-';
}
else
{
switch (ss->getType())
{
case SecondaryStructure::HELIX:
summary += 'H';
break;
case SecondaryStructure::STRAND:
summary += 'E';
break;
case SecondaryStructure::TURN:
summary += 'T';
break;
case SecondaryStructure::COIL:
default:
summary += 'C';
}
}
}
String PDB_summary = "CCGGGGSCCCCCSCCCCEEEEEEETTTTEEEEEEECSSSCCSSCBSSHHHHHHHHSCC";
STATUS("Summary: " << summary)
STATUS(" len = " << summary.size())
STATUS("PDBSum: " << PDB_summary)
STATUS(" len = " << PDB_summary.size())
SecondaryStructureProcessor ssp;
S.apply(ssp);
for (SecondaryStructureIterator it = S.beginSecondaryStructure(); +it; ++it)
{
STATUS(it->getType())
}
RESULT
END_TEST
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