void KisNodeFacadeTest::testCreation()
{
TestGraphListener graphListener;
KisNodeSP node = new TestNodeA();
QVERIFY(node->graphListener() == 0);
KisNodeFacade facade(node);
QVERIFY(facade.root() == node);
node->setGraphListener(&graphListener);
QVERIFY(node->graphListener() != 0);
// Test contract for initial state
QVERIFY(node->parent() == 0);
QVERIFY(node->firstChild() == 0);
QVERIFY(node->lastChild() == 0);
QVERIFY(node->prevSibling() == 0);
QVERIFY(node->nextSibling() == 0);
QVERIFY(node->childCount() == 0);
QVERIFY(node->at(0) == 0);
QVERIFY(node->at(UINT_MAX) == 0);
QVERIFY(node->index(0) == -1);
}
void KisNodeFacadeTest::testMove()
{
TestGraphListener graphListener;
KisNodeSP root = new TestNodeA();
root->setGraphListener(&graphListener);
KisNodeFacade facade(root);
KisNodeSP node1 = new TestNodeA();
node1->setName("node1");
KisNodeSP node2 = new TestNodeA();
node2->setName("node2");
KisNodeSP node3 = new TestNodeA();
node3->setName("node3");
facade.addNode(node1);
facade.addNode(node2);
facade.addNode(node3);
QVERIFY(root->at(0) == node1);
QVERIFY(root->at(1) == node2);
QVERIFY(root->at(2) == node3);
facade.moveNode(node3, root, node1);
QVERIFY(root->at(0) == node1);
QVERIFY(root->at(1) == node3);
QVERIFY(root->at(2) == node2);
}
void KisNodeFacadeTest::testOrdering()
{
TestGraphListener graphListener;
KisNodeSP root = new TestNodeA();
root->setGraphListener(&graphListener);
KisNodeFacade facade(root);
KisNodeSP node1 = new TestNodeA();
KisNodeSP node2 = new TestNodeA();
KisNodeSP node3 = new TestNodeA();
KisNodeSP node4 = new TestNodeA();
KisNodeSP node5 = new TestNodeA();
/*
+---------+
| node 4 |
| node 2 |
| node 3|
| node 1 |
|root |
+---------+
*/
graphListener.resetBools();
QVERIFY(facade.addNode(node1, root, root->childCount()) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
QVERIFY(root->firstChild() == node1);
QVERIFY(root->lastChild() == node1);
QVERIFY(root->childCount() == 1);
graphListener.resetBools();
QVERIFY(facade.addNode(node2, root, root->childCount()) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
QVERIFY(root->firstChild() == node1);
QVERIFY(root->lastChild() == node2);
QVERIFY(root->childCount() == 2);
graphListener.resetBools();
QVERIFY(facade.addNode(node3, node1) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
QVERIFY(root->firstChild() == node1);
QVERIFY(root->lastChild() == node2);
QVERIFY(root->childCount() == 2);
QVERIFY(node1->childCount() == 1);
graphListener.resetBools();
QVERIFY(facade.addNode(node4, root, root->lastChild()) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
QVERIFY(root->firstChild() == node1);
QVERIFY(root->lastChild() == node4);
QVERIFY(root->childCount() == 3);
graphListener.resetBools();
QVERIFY(node1->parent() == root);
QVERIFY(node2->parent() == root);
QVERIFY(node3->parent() == node1);
QVERIFY(node4->parent() == root);
QVERIFY(root->firstChild() == node1);
QVERIFY(root->lastChild() == node4);
QVERIFY(root->at(0) == node1);
QVERIFY(root->at(1) == node2);
QVERIFY(root->at(2) == node4);
QVERIFY(node1->at(0) == node3);
QVERIFY(root->index(node1) == 0);
QVERIFY(root->index(node2) == 1);
QVERIFY(root->index(node4) == 2);
QVERIFY(node1->index(node3) == 0);
QVERIFY(node4->prevSibling() == node2);
QVERIFY(node2->prevSibling() == node1);
QVERIFY(node1->prevSibling() == 0);
QVERIFY(node3->prevSibling() == 0);
QVERIFY(node4->nextSibling() == 0);
QVERIFY(node2->nextSibling() == node4);
QVERIFY(node1->nextSibling() == node2);
QVERIFY(node3->nextSibling() == 0);
/*
node 4
node 2
node 3
node 1
root
*/
graphListener.resetBools();
QVERIFY(facade.removeNode(node4) == true);
QVERIFY(node4->parent() == 0);
QVERIFY(graphListener.beforeInsertRow == false);
QVERIFY(graphListener.afterInsertRow == false);
QVERIFY(graphListener.beforeRemoveRow == true);
QVERIFY(graphListener.afterRemoveRow == true);
QVERIFY(root->childCount() == 2);
QVERIFY(root->lastChild() == node2);
QVERIFY(root->firstChild() == node1);
QVERIFY(node4->prevSibling() == 0);
QVERIFY(node4->nextSibling() == 0);
graphListener.resetBools();
QVERIFY(facade.addNode(node4, node3) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
QVERIFY(root->childCount() == 2);
QVERIFY(root->lastChild() == node2);
QVERIFY(root->firstChild() == node1);
QVERIFY(node3->childCount() == 1);
QVERIFY(node3->firstChild() == node4);
QVERIFY(node3->lastChild() == node4);
QVERIFY(node4->prevSibling() == 0);
QVERIFY(node4->nextSibling() == 0);
graphListener.resetBools();
QVERIFY(facade.removeNode(node4) == true);
QVERIFY(graphListener.beforeInsertRow == false);
QVERIFY(graphListener.afterInsertRow == false);
QVERIFY(graphListener.beforeRemoveRow == true);
QVERIFY(graphListener.afterRemoveRow == true);
QVERIFY(node3->childCount() == 0);
QVERIFY(node4->parent() == 0);
QVERIFY(root->childCount() == 2);
QVERIFY(root->lastChild() == node2);
QVERIFY(root->firstChild() == node1);
QVERIFY(node4->prevSibling() == 0);
QVERIFY(node4->nextSibling() == 0);
graphListener.resetBools();
QVERIFY(facade.addNode(node4, node2) == true);
graphListener.resetBools();
QVERIFY(graphListener.beforeMove == false);
QVERIFY(graphListener.afterMove == false);
QVERIFY(facade.moveNode(node3, root, 0) == true);
QVERIFY(graphListener.beforeMove == true);
QVERIFY(graphListener.afterMove == true);
graphListener.resetBools();
/*
node4
node2
node1
node 3
root
*/
QVERIFY(facade.moveNode(node1, node3, 0) == true);
QVERIFY(facade.moveNode(node2, node3, node1) == true);
QVERIFY(graphListener.beforeInsertRow == true);
QVERIFY(graphListener.afterInsertRow == true);
QVERIFY(graphListener.beforeRemoveRow == true);
QVERIFY(graphListener.afterRemoveRow == true);
graphListener.resetBools();
QVERIFY(facade.moveNode(node4, node4, node4) == false);
QVERIFY(graphListener.beforeInsertRow == false);
QVERIFY(graphListener.afterInsertRow == false);
QVERIFY(graphListener.beforeRemoveRow == false);
QVERIFY(graphListener.afterRemoveRow == false);
graphListener.resetBools();
QCOMPARE(root->childCount(), 1u);
QVERIFY(root->firstChild() == node3);
QVERIFY(root->lastChild() == node3);
QVERIFY(node3->childCount() == 2);
QVERIFY(node3->firstChild() == node1);
QVERIFY(node3->lastChild() == node2);
/*
node4
node2
node5
node1
node3
root
*/
QVERIFY(facade.addNode(node5, node3, node1) == true);
QVERIFY(node5->parent() == node3);
QVERIFY(node5->prevSibling() == node1);
QVERIFY(node5->nextSibling() == node2);
/*
node5
node4
node2
node1
node3
root
*/
QVERIFY(facade.raiseNode(node5) == true);
QVERIFY(node5->parent() == node3);
QVERIFY(node5->nextSibling() == 0);
QVERIFY(node5->prevSibling() == node2);
// Try raising topnode to top
QVERIFY(facade.raiseNode(node5) == true);
QVERIFY(node5->parent() == node3);
QVERIFY(node5->nextSibling() == 0);
QVERIFY(node5->prevSibling() == node2);
/*
node5
node1
node4
node2
node3
root
*/
QVERIFY(facade.lowerNode(node2) == true);
QVERIFY(node2->nextSibling() == node1);
QVERIFY(node2->prevSibling() == 0);
// Try lowering bottomnode to bottomg
QVERIFY(facade.lowerNode(node2) == true);
QVERIFY(node2->nextSibling() == node1);
QVERIFY(node2->prevSibling() == 0);
/**
node4
node2
node5
node1
node3
root
*/
QVERIFY(facade.toTop(node2) == true);
QVERIFY(node2->nextSibling() == 0);
QVERIFY(node2->prevSibling() == node5);
/**
node5
node1
node4
node2
node3
root
*/
QVERIFY(facade.toBottom(node2) == true);
QVERIFY(node2->nextSibling() == node1);
QVERIFY(node2->prevSibling() == 0);
}
bool ReactionInChIFormat::WriteMolecule(OBBase* pOb, OBConversion* pConv)
{
OBMol* pmol = dynamic_cast<OBMol*>(pOb);
if (pmol == NULL || !pmol->IsReaction())
return false;
ostream &ofs = *pConv->GetOutStream();
OBFormat* pInChIFormat = OBConversion::FindFormat("inchi");
if (!pInChIFormat)
return false;
bool isEquilibrium = pConv->IsOption("e");
OBConversion inchiconv;
inchiconv.SetOutFormat(pInChIFormat);
stringstream ss;
inchiconv.SetOutStream(&ss);
#define M_REACTANTS 0
#define M_PRODUCTS 1
#define M_AGENTS 2
OBReactionFacade facade(pmol);
std::vector<std::vector<std::string> > inchis(3);
unsigned int nonInchi[3] = { 0, 0, 0 };
bool hasNonInchi = false;
OBMol mol;
for (int part = 0; part <= 2; ++part) {
unsigned int N;
switch (part) {
case M_REACTANTS: N = facade.NumComponents(REACTANT); break;
case M_PRODUCTS: N = facade.NumComponents(PRODUCT); break;
case M_AGENTS: N = facade.NumComponents(AGENT); break;
}
for (unsigned int i = 0; i < N; ++i) {
mol.Clear();
switch (part) {
case M_REACTANTS: facade.GetComponent(&mol, REACTANT, i); break;
case M_PRODUCTS: facade.GetComponent(&mol, PRODUCT, i); break;
case M_AGENTS: facade.GetComponent(&mol, AGENT, i); break;
}
if (mol.NumAtoms() == 1 && mol.GetFirstAtom()->GetAtomicNum() == 0) {
// This represents an unknown component
nonInchi[part]++;
hasNonInchi = true;
}
else {
bool ok = inchiconv.Write(&mol);
if (!ok) {
nonInchi[part]++;
hasNonInchi = true;
}
else {
string inchi = ss.str();
if (strncmp(inchi.c_str(), "InChI=1S/", 9) != 0)
return false;
inchis[part].push_back(TrimInChI(inchi.c_str()));
}
ss.str("");
}
}
}
std::sort(inchis[M_REACTANTS].begin(), inchis[M_REACTANTS].end());
std::sort(inchis[M_PRODUCTS].begin(), inchis[M_PRODUCTS].end());
std::sort(inchis[M_AGENTS].begin(), inchis[M_AGENTS].end());
std::string reactants_string = "";
const int rsize = inchis[M_REACTANTS].size();
for (int i = 0; i < rsize; ++i) {
if (i > 0)
reactants_string += '!';
reactants_string += inchis[M_REACTANTS][i];
}
std::string products_string = "";
const int psize = inchis[M_PRODUCTS].size();
for (int i = 0; i < psize; ++i) {
if (i > 0)
products_string += '!';
products_string += inchis[M_PRODUCTS][i];
}
bool reactants_first = reactants_string <= products_string;
ofs << RINCHI_VERSION_STRING;
if (rsize > 0 || psize > 0 || !inchis[M_AGENTS].empty()) {
ofs << (reactants_first ? reactants_string : products_string);
ofs << "<>";
ofs << (reactants_first ? products_string : reactants_string);
if (!inchis[M_AGENTS].empty()) {
ofs << "<>";
for (std::vector<std::string>::const_iterator vit = inchis[M_AGENTS].begin(); vit != inchis[M_AGENTS].end(); ++vit) {
if (vit != inchis[M_AGENTS].begin())
ofs << '!';
ofs << *vit;
}
}
}
ofs << "/d";
if (isEquilibrium)
ofs << '=';
else
ofs << (reactants_first ? '+' : '-');
if (hasNonInchi) {
ofs << "/u" << (reactants_first ? nonInchi[M_REACTANTS] : nonInchi[M_PRODUCTS]) << '-'
<< (reactants_first ? nonInchi[M_PRODUCTS] : nonInchi[M_REACTANTS]) << '-'
<< nonInchi[M_AGENTS];
}
ofs << '\n';
return true;
}
