25 #ifndef GCHEMPAINT_MOLECULE_H
26 #define GCHEMPAINT_MOLECULE_H
47 friend class MoleculePrivate;
104 bool Merge (
Molecule* pMolecule,
bool RemoveDuplicates =
false);
111 bool Load (xmlNodePtr node);
118 xmlNodePtr
Save (xmlDocPtr xml)
const;
223 std::list< Fragment * > m_Fragments;
224 std::set < Atom * > m_ChiralAtoms;
231 #endif // GCHEMPAINT_MOLECULE_H
GChemPaint specific C++ classes.
void AddChild(gcu::Object *object)
void AddChiralAtom(Atom *atom)
void SelectAlignmentItem(gcu::Object *child)
unsigned GetAtomsNumber() const
void CheckCrossings(Bond *pBond)
bool Load(xmlNodePtr node)
GChemPaint molecule class.
std::string GetAlignmentId()
void Remove(gcu::Object *pObject)
Object * GetAtomAt(double x, double y, double z=0.)
Object(TypeId Id=OtherType)
base class for a user interface manager
bool OnSignal(gcu::SignalId Signal, gcu::Object *Child)
The Gnome Chemistry Utils C++ classes.
char const * GetId() const
void AddAtom(gcu::Atom *pAtom)
bool AtomIsChiral(Atom *atom) const
void Transform2D(gcu::Matrix2D &m, double x, double y)
xmlNodePtr Save(xmlDocPtr xml) const
bool Merge(Molecule *pMolecule, bool RemoveDuplicates=false)
std::string GetRawFormula() const
void AddFragment(Fragment *pFragment)
void AddBond(gcu::Bond *pBond)
double GetMeanBondLength() const
Molecule(gcu::TypeId Type=gcu::MoleculeType)
bool BuildContextualMenu(gcu::UIManager *UIManager, gcu::Object *object, double x, double y)