void User::Save()
{
CCFileUtils* fileUtils = CCFileUtils::sharedFileUtils();
bugsCatched->writeToFile("BugsCatched.plist");
item->writeToFile("Item.plist");
string writablePath = fileUtils->getWritablePath() + "User.txt";
FILE *fp = fopen(writablePath.c_str(), "w");
string data = name + "\n" + ConvertInt(score) + "\n" + ConvertInt(level);
fputs(data.c_str(), fp);
fclose(fp);
}
bool CSPropDebyeMaterial::ReadFromXML(TiXmlNode &root)
{
if (CSPropDispersiveMaterial::ReadFromXML(root)==false) return false;
TiXmlElement* prop=root.ToElement();
if (prop==NULL) return false;
// count m_Order
TiXmlElement* matProp=prop->FirstChildElement("Property");
if (matProp!=NULL)
{
m_Order=1;
while (1)
{
if (matProp->Attribute("EpsilonDelta_"+ConvertInt(m_Order+1)))
++m_Order;
else if (matProp->Attribute("MueDelta_"+ConvertInt(m_Order+1)))
++m_Order;
else
break;
}
}
else
return false;
InitValues();
if (ReadVectorTerm(EpsDelta[0],*matProp,"EpsilonDelta_1",0.0)==false)
ReadVectorTerm(EpsDelta[0],*matProp,"EpsilonDelta",0.0);
if (ReadVectorTerm(EpsRelaxTime[0],*matProp,"EpsilonRelaxTime_1",0.0)==false)
ReadVectorTerm(EpsRelaxTime[0],*matProp,"EpsilonRelaxTime",0.0);
TiXmlElement* weightProp=prop->FirstChildElement("Weight");
if (weightProp)
{
if (ReadVectorTerm(WeightEpsDelta[0],*weightProp,"EpsilonDelta_1",1.0)==false)
ReadVectorTerm(WeightEpsDelta[0],*weightProp,"EpsilonDelta",1.0);
if (ReadVectorTerm(WeightEpsRelaxTime[0],*weightProp,"EpsilonRelaxTime_1",1.0)==false)
ReadVectorTerm(WeightEpsRelaxTime[0],*weightProp,"EpsilonRelaxTime",1.0);
}
for (int o=1;o<m_Order;++o)
{
ReadVectorTerm(EpsDelta[o],*matProp,"EpsilonDelta_"+ConvertInt(o+1),0.0);
ReadVectorTerm(EpsRelaxTime[o],*matProp,"EpsilonRelaxTime_"+ConvertInt(o+1),0.0);
if (weightProp)
{
ReadVectorTerm(WeightEpsDelta[o],*weightProp,"EpsilonDelta_"+ConvertInt(o+1),1.0);
ReadVectorTerm(WeightEpsRelaxTime[o],*weightProp,"EpsilonRelaxTime_"+ConvertInt(o+1),1.0);
}
}
return true;
}
void User::CatchBug(Bug* bug)
{
string x = bug->getId();
if (bugsCatched->objectForKey(x) != NULL)
{
CCString* count = (CCString*)bugsCatched->valueForKey(x);
int increase = count->floatValue() + 1;
CCString* add = CCString::create(ConvertInt(increase));
bugsCatched->setObject(add,x);
}
else
{
CCString* count = CCString::create("1");
bugsCatched->setObject(count,x);
}
}
bool CSPropDebyeMaterial::Write2XML(TiXmlNode& root, bool parameterised, bool sparse)
{
if (CSPropDispersiveMaterial::Write2XML(root,parameterised,sparse) == false) return false;
TiXmlElement* prop=root.ToElement();
if (prop==NULL) return false;
string suffix;
for (int o=0;o<m_Order;++o)
{
suffix = ConvertInt(o+1);
TiXmlElement* value=prop->FirstChildElement("Property");
if (value==NULL)
return false;
WriteVectorTerm(EpsDelta[o],*value,"EpsilonDelta_"+suffix,parameterised);
WriteVectorTerm(EpsRelaxTime[o],*value,"EpsilonRelaxTime_"+suffix,parameterised);
TiXmlElement* weight=prop->FirstChildElement("Weight");
if (weight==NULL)
return false;
WriteVectorTerm(WeightEpsDelta[o],*weight,"EpsilonDelta_"+suffix,parameterised);
WriteVectorTerm(WeightEpsRelaxTime[o],*weight,"EpsilonRelaxTime_"+suffix,parameterised);
}
return true;
}
//--
bool DataProperty::Satisfy(OpenBabel::OBBond* pBond,
const std::string& refTo,
std::vector<Class*>& vecSatisfiedClasses,
std::string& refValue)
{
//bool bSatisfied = false;
int iPosition = -1;
// [rad] if we are default, we automatically satisfy
if(!IsDefault())
{
if(!SatisfyCommon(vecSatisfiedClasses, iPosition))
{
// [rad] this property does not apply
refValue = "";
return(false);
}
}
// [rad] go through possible data types..
if(!refTo.compare("BOND_ORDER"))
{
ConvertInt(pBond->GetBondOrder(), refValue);
}
else if(!refTo.compare("BOND_EQUILIBRIUM_LENGTH"))
{
ConvertDouble(pBond->GetEquibLength(), refValue);
}
else if(!refTo.compare("BOND_LENGTH"))
{
ConvertDouble(pBond->GetLength(), refValue);
}
else if(!refTo.compare("BOND_IS_AROMATIC"))
{
ConvertBool(pBond->IsAromatic(), refValue);
}
else if(!refTo.compare("BOND_IS_IN_RING"))
{
ConvertBool(pBond->IsInRing(), refValue);
}
else if(!refTo.compare("BOND_IS_ROTOR"))
{
ConvertBool(pBond->IsRotor(), refValue);
}
else if(!refTo.compare("BOND_IS_AMIDE"))
{
ConvertBool(pBond->IsAmide(), refValue);
}
else if(!refTo.compare("BOND_IS_PRIMARY_AMIDE"))
{
ConvertBool(pBond->IsPrimaryAmide(), refValue);
}
else if(!refTo.compare("BOND_IS_SECONDARY_AMIDE"))
{
ConvertBool(pBond->IsSecondaryAmide(), refValue);
}
else if(!refTo.compare("BOND_IS_ESTER"))
{
ConvertBool(pBond->IsEster(), refValue);
}
else if(!refTo.compare("BOND_IS_CARBONYL"))
{
ConvertBool(pBond->IsCarbonyl(), refValue);
}
else if(!refTo.compare("BOND_IS_SINGLE_BOND"))
{
ConvertBool(pBond->IsSingle(), refValue);
}
else if(!refTo.compare("BOND_IS_DOUBLE_BOND"))
{
ConvertBool(pBond->IsDouble(), refValue);
}
else if(!refTo.compare("BOND_IS_TRIPLE_BOND"))
{
ConvertBool(pBond->IsTriple(), refValue);
}
else if(!refTo.compare("BOND_IS_CLOSURE_BOND"))
{
ConvertBool(pBond->IsClosure(), refValue);
}
else if(!refTo.compare("BOND_IS_UP"))
{
ConvertBool(pBond->IsUp(), refValue);
}
else if(!refTo.compare("BOND_IS_DOWN"))
{
ConvertBool(pBond->IsDown(), refValue);
}
else if(!refTo.compare("BOND_IS_HASH"))
{
ConvertBool(pBond->IsHash(), refValue);
}
else if(!refTo.compare("BOND_IS_WEDGE"))
{
ConvertBool(pBond->IsWedge(), refValue);
}
else
{
// [rad] unknown datatype?
refValue = "";
return(false);
}
return(true);
}
//--
bool DataProperty::Satisfy(OpenBabel::OBAtom* pAtom,
const std::string& refTo,
std::vector<Class*>& vecSatisfiedClasses,
std::string& refValue)
{
//bool bSatisfied = false;
int iPosition = -1;
// [rad] if we are default, we automatically satisfy
if(!IsDefault())
{
if(!SatisfyCommon(vecSatisfiedClasses, iPosition))
{
// [rad] this property does not apply
refValue = "";
return(false);
}
}
// [rad] go through possible data types..
if(!refTo.compare("ATOM_ATOMIC_NUMBER"))
{
ConvertInt(pAtom->GetAtomicNum(), refValue);
}
else if(!refTo.compare("ATOM_FORMAL_CHARGE"))
{
ConvertInt(pAtom->GetFormalCharge(), refValue);
}
else if(!refTo.compare("ATOM_ISOTOPE"))
{
ConvertInt(pAtom->GetIsotope(), refValue);
}
else if(!refTo.compare("ATOM_SPIN_MULTIPLICITY"))
{
ConvertInt(pAtom->GetSpinMultiplicity(), refValue);
}
else if(!refTo.compare("ATOM_ATOMIC_MASS"))
{
ConvertDouble(pAtom->GetAtomicMass(), refValue);
}
else if(!refTo.compare("ATOM_EXACT_MASS"))
{
ConvertDouble(pAtom->GetExactMass(), refValue);
}
else if(!refTo.compare("ATOM_INTERNAL_INDEX"))
{
ConvertInt(pAtom->GetIdx(), refValue);
}
else if(!refTo.compare("ATOM_VALENCE"))
{
ConvertInt(pAtom->GetValence(), refValue);
}
else if(!refTo.compare("ATOM_HYBRIDIZATION"))
{
ConvertInt(pAtom->GetHyb(), refValue);
}
else if(!refTo.compare("ATOM_IMPLICIT_VALENCE"))
{
ConvertInt(pAtom->GetImplicitValence(), refValue);
}
else if(!refTo.compare("ATOM_HEAVY_VALENCE"))
{
ConvertInt(pAtom->GetHvyValence(), refValue);
}
else if(!refTo.compare("ATOM_HETERO_VALENCE"))
{
ConvertInt(pAtom->GetHeteroValence(), refValue);
}
else if(!refTo.compare("ATOM_COORDINATE_X"))
{
ConvertDouble(pAtom->GetX(), refValue);
}
else if(!refTo.compare("ATOM_COORDINATE_Y"))
{
ConvertDouble(pAtom->GetY(), refValue);
}
else if(!refTo.compare("ATOM_COORDINATE_Z"))
{
ConvertDouble(pAtom->GetZ(), refValue);
}
else if(!refTo.compare("ATOM_PARTIAL_CHARGE"))
{
ConvertDouble(pAtom->GetPartialCharge(), refValue);
}
else if(!refTo.compare("ATOM_FREE_OXYGEN_COUNT"))
{
ConvertInt(pAtom->CountFreeOxygens(), refValue);
}
else if(!refTo.compare("ATOM_IMPLICIT_HYDROGEN_COUNT"))
{
ConvertInt(pAtom->ImplicitHydrogenCount(), refValue);
}
else if(!refTo.compare("ATOM_PARTICIPANT_RING_COUNT"))
{
ConvertInt(pAtom->MemberOfRingCount(), refValue);
}
else if(!refTo.compare("ATOM_AVERAGE_BOND_ANGLE"))
{
ConvertDouble(pAtom->AverageBondAngle(), refValue);
}
else if(!refTo.compare("ATOM_SMALLEST_BOND_ANGLE"))
{
ConvertDouble(pAtom->SmallestBondAngle(), refValue);
}
else if(!refTo.compare("ATOM_IS_IN_RING"))
{
ConvertBool(pAtom->IsInRing(), refValue);
}
else if(!refTo.compare("ATOM_IS_HETERO_ATOM"))
{
ConvertBool(pAtom->IsHeteroatom(), refValue);
}
else if(!refTo.compare("ATOM_IS_AROMATIC"))
{
ConvertBool(pAtom->IsAromatic(), refValue);
}
else if(!refTo.compare("ATOM_IS_CHIRAL"))
{
ConvertBool(pAtom->IsChiral(), refValue);
}
else if(!refTo.compare("ATOM_HAS_SINGLE_BOND"))
{
ConvertBool(pAtom->HasSingleBond(), refValue);
}
else if(!refTo.compare("ATOM_HAS_DOUBLE_BOND"))
{
ConvertBool(pAtom->HasDoubleBond(), refValue);
}
else if(!refTo.compare("ATOM_HAS_TRIPLE_BOND"))
{
ConvertBool(pAtom->HasBondOfOrder(3), refValue);
}
else if(!refTo.compare("ATOM_HAS_AROMATIC_BOND"))
{
ConvertBool(pAtom->HasAromaticBond(), refValue);
}
else if(!refTo.compare("ATOM_SINGLE_BOND_COUNT"))
{
ConvertInt(pAtom->CountBondsOfOrder(1), refValue);
}
else if(!refTo.compare("ATOM_DOUBLE_BOND_COUNT"))
{
ConvertInt(pAtom->CountBondsOfOrder(2), refValue);
}
else if(!refTo.compare("ATOM_TRIPLE_BOND_COUNT"))
{
ConvertInt(pAtom->CountBondsOfOrder(3), refValue);
}
else if(!refTo.compare("ATOM_AROMATIC_BOND_COUNT"))
{
ConvertInt(pAtom->CountBondsOfOrder(5), refValue);
}
else if(!refTo.compare("ATOM_BOND_COUNT"))
{
//return(ConvertInt(pAtom->CountBondsOfOrder(5)));
OpenBabel::OBBond* pBond;
std::vector<OpenBabel::OBEdgeBase*>::iterator iter_bond;
int iCount = 0;
for(pBond = pAtom->BeginBond(iter_bond); pBond; pBond = pAtom->NextBond(iter_bond))
{
iCount++;
}
ConvertInt(iCount, refValue);
}
else
{
// [rad] unknown datatype?
refValue = "";
return(false);
}
return(true);
}
//--
bool DataProperty::Satisfy(OpenBabel::OBMol* pMolecule,
const std::string& refTo,
std::vector<Class*>& vecSatisfiedClasses,
std::string& refValue)
{
//bool bSatisfied = false;
int iPosition = -1;
// [rad] if we are default, we automatically satisfy
if(!IsDefault())
{
if(!SatisfyCommon(vecSatisfiedClasses, iPosition))
{
// [rad] this property does not apply
refValue = "";
return(false);
}
}
// [rad] go through possible data types..
if(!refTo.compare("MOLECULE_ATOM_COUNT"))
{
ConvertInt(pMolecule->NumAtoms(), refValue);
}
else if(!refTo.compare("MOLECULE_BOND_COUNT"))
{
ConvertInt(pMolecule->NumBonds(), refValue);
}
else if(!refTo.compare("MOLECULE_RING_COUNT"))
{
std::vector<OpenBabel::OBRing*>& refSSSR = pMolecule->GetSSSR();
ConvertInt(refSSSR.size(), refValue);
}
else if(!refTo.compare("MOLECULE_HEAVY_HYDROGEN_COUNT"))
{
ConvertInt(pMolecule->NumHvyAtoms(), refValue);
}
else if(!refTo.compare("MOLECULE_RESIDUE_COUNT"))
{
ConvertInt(pMolecule->NumResidues(), refValue);
}
else if(!refTo.compare("MOLECULE_ROTOR_COUNT"))
{
ConvertInt(pMolecule->NumRotors(), refValue);
}
else if(!refTo.compare("MOLECULE_FORMULA"))
{
refValue = pMolecule->GetFormula();
}
else if(!refTo.compare("MOLECULE_FORMATION_HEAT"))
{
ConvertDouble(pMolecule->GetEnergy(), refValue);
}
else if(!refTo.compare("MOLECULE_STANDARD_MOLAR_MASS"))
{
ConvertDouble(pMolecule->GetMolWt(), refValue);
}
else if(!refTo.compare("MOLECULE_EXACT_MASS"))
{
ConvertDouble(pMolecule->GetExactMass(), refValue);
}
else if(!refTo.compare("MOLECULE_TOTAL_CHARGE"))
{
ConvertInt(pMolecule->GetTotalCharge(), refValue);
}
else if(!refTo.compare("MOLECULE_SPIN_MULTIPLICITY"))
{
ConvertInt(pMolecule->GetTotalSpinMultiplicity(), refValue);
}
else if(!refTo.compare("MOLECULE_IS_CHIRAL"))
{
ConvertBool(pMolecule->IsChiral(), refValue);
}
else if(!refTo.compare("MOLECULE_HAS_AROMATIC_RING"))
{
std::vector<OpenBabel::OBRing*>& refSSSR = pMolecule->GetSSSR();
bool bAromatic = false;
std::vector<OpenBabel::OBRing*>::iterator iter_rings = refSSSR.begin();
while(iter_rings != refSSSR.end())
{
if((*iter_rings)->IsAromatic())
{
bAromatic = true;
break;
}
iter_rings++;
}
ConvertBool(bAromatic, refValue);
}
else if(!refTo.compare("MOLECULE_HAS_HOMOCYCLIC_RING"))
{
std::vector<OpenBabel::OBRing*>& refSSSR = pMolecule->GetSSSR();
std::vector<OpenBabel::OBRing*>::iterator iter_rings = refSSSR.begin();
OpenBabel::OBAtom* pAtom;
bool bHomoCyclic = true;
while(iter_rings != refSSSR.end())
{
std::vector<int>::iterator iter_path = (*iter_rings)->_path.begin();
while(iter_path != (*iter_rings)->_path.end())
{
pAtom = pMolecule->GetAtom((*iter_path));
if(pAtom)
{
if(6 != pAtom->GetAtomicNum())
{
bHomoCyclic = false;
break;
}
}
iter_path++;
}
if(!bHomoCyclic) break;
iter_rings++;
}
ConvertBool(bHomoCyclic, refValue);
}
else if(!refTo.compare("MOLECULE_HAS_HETEROCYCLIC_RING"))
{
std::vector<OpenBabel::OBRing*>& refSSSR = pMolecule->GetSSSR();
std::vector<OpenBabel::OBRing*>::iterator iter_rings = refSSSR.begin();
OpenBabel::OBAtom* pAtom;
bool bHeteroCyclic = false;
while(iter_rings != refSSSR.end())
{
std::vector<int>::iterator iter_path = (*iter_rings)->_path.begin();
while(iter_path != (*iter_rings)->_path.end())
{
pAtom = pMolecule->GetAtom((*iter_path));
if(pAtom)
{
if(6 != pAtom->GetAtomicNum())
{
bHeteroCyclic = true;
break;
}
}
iter_path++;
}
if(bHeteroCyclic) break;
iter_rings++;
}
ConvertBool(bHeteroCyclic, refValue);
}
else
{
// [rad] maybe it's a descriptor?
if(SatisfyDescriptor(pMolecule, refTo, refValue))
{
return(true);
}
// [rad] unknown datatype?
refValue = "";
return(false);
}
return(true);
}
//--
bool DataProperty::Satisfy(OpenBabel::OBRing* pRing,
const std::string& refTo,
std::vector<Class*>& vecSatisfiedClasses,
std::string& refValue)
{
//bool bSatisfied = false;
int iPosition = -1;
// [rad] if we are default, we automatically satisfy
if(!IsDefault())
{
if(!SatisfyCommon(vecSatisfiedClasses, iPosition))
{
// [rad] this property does not apply
refValue = "";
return(false);
}
}
// [rad] go through possible data types..
if(!refTo.compare("RING_SIZE"))
{
ConvertInt(pRing->Size(), refValue);
}
else if(!refTo.compare("RING_IS_AROMATIC"))
{
ConvertBool(pRing->IsAromatic(), refValue);
}
else if(!refTo.compare("RING_IS_HOMOCYCLIC"))
{
OpenBabel::OBMol* pMolecule = pRing->GetParent();
OpenBabel::OBAtom* pAtom;
bool bHomoCyclic = true;
std::vector<int>::iterator iter_path = pRing->_path.begin();
while(iter_path != pRing->_path.end())
{
pAtom = pMolecule->GetAtom((*iter_path));
if(pAtom)
{
if(6 != pAtom->GetAtomicNum())
{
bHomoCyclic = false;
break;
}
}
iter_path++;
}
ConvertBool(bHomoCyclic, refValue);
}
else if(!refTo.compare("RING_IS_HETEROCYCLIC"))
{
OpenBabel::OBMol* pMolecule = pRing->GetParent();
OpenBabel::OBAtom* pAtom;
bool bHeteroCyclic = false;
std::vector<int>::iterator iter_path = pRing->_path.begin();
while(iter_path != pRing->_path.end())
{
pAtom = pMolecule->GetAtom((*iter_path));
if(pAtom)
{
if(6 != pAtom->GetAtomicNum())
{
bHeteroCyclic = true;
break;
}
}
iter_path++;
}
ConvertBool(bHeteroCyclic, refValue);
}
else
{
// [rad] unknown datatype?
refValue = "";
return(false);
}
return(true);
}
