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|
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
// insert includes here
#include <BALL/KERNEL/standardPredicates.h>
#include <BALL/KERNEL/system.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/KERNEL/PDBAtom.h>
#include <BALL/KERNEL/bond.h>
#include <BALL/KERNEL/PTE.h>
#include <BALL/KERNEL/residue.h>
#include <BALL/FORMAT/HINFile.h>
///////////////////////////
START_TEST(standardPredicates)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
/// insert tests for each member function here
///
HINFile f(BALL_TEST_DATA_PATH(Predicate_test.hin));
System S;
f >> S;
f.close();
// tests for class DoubleBondsPredicate::
CHECK([EXTRA]DoubleBondsPredicate::operator () (const Atom& atom) const )
DoubleBondsPredicate doubleBonds0;
doubleBonds0.setArgument("0");
DoubleBondsPredicate doubleBonds1;
doubleBonds1.setArgument("1");
DoubleBondsPredicate doubleBonds2;
doubleBonds2.setArgument("2");
DoubleBondsPredicate doubleBonds3;
doubleBonds3.setArgument("3");
DoubleBondsPredicate doubleBonds4;
doubleBonds4.setArgument("4");
DoubleBondsPredicate doubleBonds5;
doubleBonds5.setArgument("5");
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(it->getName())
STATUS(i)
switch (i)
{
case 4:
case 5:
case 6:
TEST_EQUAL(doubleBonds0(*it), false)
break;
default:
TEST_EQUAL(doubleBonds0(*it), true)
}
switch (i)
{
case 4:
case 6:
TEST_EQUAL(doubleBonds1(*it), true)
break;
default:
TEST_EQUAL(doubleBonds1(*it), false)
}
switch (i)
{
case 5:
TEST_EQUAL(doubleBonds2(*it), true)
break;
default:
TEST_EQUAL(doubleBonds2(*it), false)
}
TEST_EQUAL(doubleBonds3(*it), false)
TEST_EQUAL(doubleBonds4(*it), false)
TEST_EQUAL(doubleBonds5(*it), false)
}
RESULT
// tests for class SingleBondsPredicate::
CHECK([EXTRA]SingleBondsPredicate::operator () (const Atom& atom) const )
SingleBondsPredicate singleBonds0;
singleBonds0.setArgument("0");
SingleBondsPredicate singleBondslt1;
singleBondslt1.setArgument("<1");
SingleBondsPredicate singleBonds1;
singleBonds1.setArgument("1");
SingleBondsPredicate singleBonds2;
singleBonds2.setArgument("2");
SingleBondsPredicate singleBonds3;
singleBonds3.setArgument("3");
SingleBondsPredicate singleBonds4;
singleBonds4.setArgument("4");
SingleBondsPredicate singleBonds5;
singleBonds5.setArgument("5");
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i);
switch (i)
{
case 5:
case 8:
case 9:
TEST_EQUAL(singleBonds0(*it), true)
break;
default:
TEST_EQUAL(singleBonds0(*it), false)
}
switch (i)
{
case 5:
case 8:
case 9:
TEST_EQUAL(singleBondslt1(*it), true)
break;
default:
TEST_EQUAL(singleBondslt1(*it), false)
}
switch (i)
{
case 3:
case 4:
case 5:
case 6:
case 8:
case 9:
case 10:
case 11:
TEST_EQUAL(singleBonds1(*it), false)
break;
default:
TEST_EQUAL(singleBonds1(*it), true)
}
switch (i)
{
case 4:
case 6:
TEST_EQUAL(singleBonds2(*it), true)
break;
default:
TEST_EQUAL(singleBonds2(*it), false)
}
TEST_EQUAL(singleBonds3(*it), false)
switch (i)
{
case 3:
case 10:
case 11:
TEST_EQUAL(singleBonds4(*it), true)
break;
default:
TEST_EQUAL(singleBonds4(*it), false)
}
TEST_EQUAL(singleBonds5(*it), false)
}
RESULT
// tests for class TripleBondsPredicate::
CHECK([EXTRA]TripleBondsPredicate::operator () (const Atom& atom) const )
TripleBondsPredicate tripleBonds0;
tripleBonds0.setArgument("0");
TripleBondsPredicate tripleBonds1;
tripleBonds1.setArgument("1");
TripleBondsPredicate tripleBonds2;
tripleBonds2.setArgument("2");
TripleBondsPredicate tripleBonds3;
tripleBonds3.setArgument("3");
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
switch (i)
{
case 1:
case 2:
TEST_EQUAL(tripleBonds0(*it), false)
break;
default:
TEST_EQUAL(tripleBonds0(*it), true)
}
switch (i)
{
case 1:
case 2:
TEST_EQUAL(tripleBonds1(*it), true)
break;
default:
TEST_EQUAL(tripleBonds1(*it), false)
}
TEST_EQUAL(tripleBonds2(*it), false)
TEST_EQUAL(tripleBonds3(*it), false)
}
RESULT
// tests for class SpHybridizedPredicate::
CHECK([EXTRA]SpHybridizedPredicate::operator () (const Atom& atom) const )
SpHybridizedPredicate isSp;
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
switch (i)
{
case 1:
case 2:
case 5:
TEST_EQUAL(isSp(*it), true)
break;
default:
TEST_EQUAL(isSp(*it), false)
}
}
RESULT
// tests for class sp2HybridizedPredicate::
CHECK([EXTRA]Sp2HybridizedPredicate::operator () (const Atom& atom) const )
Sp2HybridizedPredicate isSp2;
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
switch (i)
{
case 4:
case 6:
case 7:
TEST_EQUAL(isSp2(*it), true)
break;
default:
TEST_EQUAL(isSp2(*it), false)
}
}
RESULT
// tests for class sp3HybridizedPredicate::
CHECK([EXTRA]Sp3HybridizedPredicate::operator () (const Atom& atom) const )
Sp3HybridizedPredicate isSp3;
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
switch (i)
{
case 3:
case 10:
case 11:
TEST_EQUAL(isSp3(*it), true)
break;
default:
TEST_EQUAL(isSp3(*it), false)
}
}
RESULT
CHECK([EXTRA]ChargePredicate::operator ())
// ???
RESULT
S.clear();
f.open(BALL_TEST_DATA_PATH(LacNAc.hin));
f >> S;
f.close();
CHECK([EXTRA]AxialPredicate::operator () (const Atom& atom) )
AxialPredicate isAxial;
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
STATUS(it->getFullName())
switch (i)
{
case 27:
TEST_EQUAL(isAxial(*it), true)
break;
default:
TEST_EQUAL(isAxial(*it), false)
}
}
RESULT
CHECK([EXTRA]Conformation4C1Predicate::operator () (const Atom& atom) )
Conformation4C1Predicate is_4C1;
AtomIterator it = S.beginAtom();
for (Size i=1; +it; ++it, ++i)
{
STATUS(i)
STATUS(it->getFullName())
switch (i)
{
case 1:
case 2:
case 3:
case 4:
case 5:
case 11:
case 24:
case 25:
case 26:
case 27:
case 28:
case 33:
TEST_EQUAL(is_4C1(*it), true)
break;
default:
TEST_EQUAL(is_4C1(*it), false)
}
}
RESULT
CHECK(~ConnectedToPredicate() throw())
ConnectedToPredicate* ptr = new ConnectedToPredicate;
delete ptr;
RESULT
CHECK(~InRingPredicate() throw())
InRingPredicate* ptr = new InRingPredicate;
delete ptr;
RESULT
CHECK(ConnectedToPredicate() throw())
ConnectedToPredicate c;
RESULT
CHECK(InRingPredicate() throw())
InRingPredicate i;
RESULT
CHECK(InRingPredicate(Size n) throw())
InRingPredicate i(1);
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
|
