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// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#include "NXEntityManagerTest.h"
CPPUNIT_TEST_SUITE_REGISTRATION(NXEntityManagerTest);
CPPUNIT_TEST_SUITE_NAMED_REGISTRATION(NXEntityManagerTest,
"NXEntityManagerTestSuite");
/* FUNCTION: setUp */
void NXEntityManagerTest::setUp() {
entityManager = new NXEntityManager();
}
/* FUNCTION: tearDown */
void NXEntityManagerTest::tearDown() {
delete entityManager;
}
/* FUNCTION: moleculeSetTraversalTest
*
* Tests the creation and (depth-first) traversal of the following molecule set
* tree:
*
* root
* |-- child iter1
* |-- child iter1
* |-- child iter2
* |-- child iter2
*/
void NXEntityManagerTest::moleculeSetTraversalTest() {
// Get the root molecule set
int frameSetId = entityManager->addFrameSet();
int frameIndex = entityManager->addFrame(frameSetId);
NXMoleculeSet* rootMoleculeSet =
entityManager->getRootMoleculeSet(frameSetId, frameIndex);
CPPUNIT_ASSERT(rootMoleculeSet != 0);
CPPUNIT_ASSERT(rootMoleculeSet->childCount() == 0);
// Add children to the root molecule set
//
rootMoleculeSet->addChild(new NXMoleculeSet());
CPPUNIT_ASSERT(rootMoleculeSet->childCount() == 1);
NXMoleculeSet* child = new NXMoleculeSet();
rootMoleculeSet->addChild(child);
child->addChild(new NXMoleculeSet());
child->addChild(new NXMoleculeSet());
CPPUNIT_ASSERT(child->childCount() == 2);
// Iterate over the children
NXMoleculeSetIterator iter1 = rootMoleculeSet->childrenBegin();
CPPUNIT_ASSERT(iter1 != rootMoleculeSet->childrenEnd());
iter1++;
CPPUNIT_ASSERT(iter1 != rootMoleculeSet->childrenEnd());
NXMoleculeSetIterator iter2 = (*iter1)->childrenBegin();
CPPUNIT_ASSERT(iter2 != (*iter1)->childrenEnd());
iter2++;
CPPUNIT_ASSERT(iter2 != (*iter1)->childrenEnd());
iter2++;
CPPUNIT_ASSERT(iter2 == (*iter1)->childrenEnd());
iter1++;
CPPUNIT_ASSERT(iter1 == rootMoleculeSet->childrenEnd());
}
/* FUNCTION: moleculeTraversalTest
*
* Tests the creation and (depth-first) traversal of the molecules in the
* following molecule set tree:
*
* root (2 molecules)
* |-- child
* |-- childMoleculeSet1 (2 molecules)
* |-- childMoleculeSet2 (2 molecules)
* |-- child
*/
void NXEntityManagerTest::moleculeTraversalTest() {
// Create a tree of molecules in molecule sets
//
int frameSetId = entityManager->addFrameSet();
int frameIndex = entityManager->addFrame(frameSetId);
NXMoleculeSet* rootMoleculeSet =
entityManager->getRootMoleculeSet(frameSetId, frameIndex);
OBMol* molecule = rootMoleculeSet->newMolecule();
CPPUNIT_ASSERT(((NXMoleculeData*)
(molecule->GetData(NXMoleculeDataType)))->GetIdx() == 0);
rootMoleculeSet->newMolecule();
rootMoleculeSet->addChild(new NXMoleculeSet());
NXMoleculeSet* childMoleculeSet1 = new NXMoleculeSet();
rootMoleculeSet->addChild(childMoleculeSet1);
molecule = childMoleculeSet1->newMolecule();
CPPUNIT_ASSERT(((NXMoleculeData*)
(molecule->GetData(NXMoleculeDataType)))->GetIdx() == 2);
childMoleculeSet1->newMolecule();
NXMoleculeSet* childMoleculeSet2 = new NXMoleculeSet();
childMoleculeSet1->addChild(childMoleculeSet2);
molecule = childMoleculeSet2->newMolecule();
CPPUNIT_ASSERT(((NXMoleculeData*)
(molecule->GetData(NXMoleculeDataType)))->GetIdx() == 4);
childMoleculeSet2->newMolecule();
childMoleculeSet1->addChild(new NXMoleculeSet());
// Traverse all the molecules starting at the root molecule set
//
// root
OBMolIterator iter1 = rootMoleculeSet->moleculesBegin();
CPPUNIT_ASSERT(iter1 != rootMoleculeSet->moleculesEnd());
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 0);
iter1++;
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 1);
iter1++;
CPPUNIT_ASSERT(iter1 == rootMoleculeSet->moleculesEnd());
NXMoleculeSetIterator moleculeSetIter1 = rootMoleculeSet->childrenBegin();
iter1 = (*moleculeSetIter1)->moleculesBegin();
CPPUNIT_ASSERT(iter1 == (*moleculeSetIter1)->moleculesEnd());
// childMoleculeSet1
moleculeSetIter1++;
iter1 = (*moleculeSetIter1)->moleculesBegin();
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 2);
iter1++;
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 3);
iter1++;
CPPUNIT_ASSERT(iter1 == (*moleculeSetIter1)->moleculesEnd());
// childMoleculeSet2
NXMoleculeSetIterator moleculeSetIter2 =
(*moleculeSetIter1)->childrenBegin();
iter1 = (*moleculeSetIter2)->moleculesBegin();
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 4);
iter1++;
CPPUNIT_ASSERT(((NXMoleculeData*)
((*iter1)->GetData(NXMoleculeDataType)))->GetIdx() == 5);
iter1++;
CPPUNIT_ASSERT(iter1 == (*moleculeSetIter2)->moleculesEnd());
moleculeSetIter2++;
iter1 = (*moleculeSetIter2)->moleculesBegin();
CPPUNIT_ASSERT(iter1 == (*moleculeSetIter2)->moleculesEnd());
}
/* FUNCTION: atomTraversalTest1
*
* This tests traversal over all atoms in a molecule set for the
* following molecule set tree:
*
* root (2 molecules, 2 atoms each)
* |-- child
* |-- childMoleculeSet1 (2 molecules, 2 atoms each)
* |-- childMoleculeSet2 (2 molecules, 2 atoms each)
* |-- child
void NXEntityManagerTest::atomTraversalTest1() {
// Create a tree of molecules with atoms in molecule sets
//
int frameSetId = entityManager->addFrameSet();
int frameIndex = entityManager->addFrame(frameSetId);
NXMoleculeSet* rootMoleculeSet =
entityManager->getRootMoleculeSet(frameSetId, frameIndex);
NXMolecule* molecule = rootMoleculeSet->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
molecule = rootMoleculeSet->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
rootMoleculeSet->addChild(new NXMoleculeSet());
NXMoleculeSet* childMoleculeSet1 = new NXMoleculeSet();
rootMoleculeSet->addChild(childMoleculeSet1);
molecule = childMoleculeSet1->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
molecule = childMoleculeSet1->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
NXMoleculeSet* childMoleculeSet2 = new NXMoleculeSet();
childMoleculeSet1->addChild(childMoleculeSet2);
molecule = childMoleculeSet2->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
molecule = childMoleculeSet2->newMolecule();
molecule->NewAtom();
molecule->NewAtom();
childMoleculeSet1->addChild(new NXMoleculeSet());
// Traverse all the atoms starting from the root molecule set
std::string summary = atomTraversalTest1Helper(rootMoleculeSet);
CPPUNIT_ASSERT(summary == "0.1.2.3.4.5.6.7.8.9.10.11.");
}
*/
/* FUNCTION: atomTraversalTest1Helper
std::string NXEntityManagerTest::atomTraversalTest1Helper
(NXMoleculeSet* moleculeSet) {
std::string summary("");
// Traverse atoms
NXAtomIterator atomIter = moleculeSet->BeginAtoms();
while (atomIter != moleculeSet->EndAtoms()) {
char buffer[5];
sprintf(buffer, "%d.", (*atomIter)->GetIdx());
summary.append(buffer);
atomIter++;
}
// Traverse the molecule set's children
NXMoleculeSetIterator moleculeSetIter = moleculeSet->childrenBegin();
while (moleculeSetIter != moleculeSet->childrenEnd()) {
summary.append(atomTraversalTest1Helper(*moleculeSetIter));
moleculeSetIter++;
}
return summary;
}
*/
/* FUNCTION: atomTraversalTest2
*
* This tests traversal over all atoms in a molecule.
*/
void NXEntityManagerTest::atomTraversalTest2() {
// Create a molecule with atoms
//
int frameSetId = entityManager->addFrameSet();
int frameIndex = entityManager->addFrame(frameSetId);
NXMoleculeSet* rootMoleculeSet =
entityManager->getRootMoleculeSet(frameSetId, frameIndex);
OBMol* molecule = rootMoleculeSet->newMolecule();
OBAtom* atom = molecule->NewAtom();
atom = molecule->NewAtom();
// Traverse the molecule's atoms
OBAtomIterator iter = molecule->BeginAtoms();
CPPUNIT_ASSERT((*iter)->GetIdx() == 1);
iter++;
CPPUNIT_ASSERT((*iter)->GetIdx() == 2);
iter++;
/*
while (iter != molecule->EndAtoms()) {
printf("#%d ", (*iter));
iter++;
}
*/
CPPUNIT_ASSERT(*iter == 0);
}
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