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| Molecule (gcu::TypeId Type=gcu::MoleculeType, gcu::ContentType ct=gcu::ContentType3D) |
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| Molecule (gcu::Atom *pAtom, gcu::ContentType ct=gcu::ContentType3D) |
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virtual | ~Molecule () |
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void | BuildDatabasesMenu (GtkUIManager *UIManager, char const *path, char const *path_end) |
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| Molecule (TypeId Type=MoleculeType, ContentType ct=ContentType3D) |
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| Molecule (Atom *pAtom, ContentType ct=ContentType3D) |
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void | AddChild (Object *object) |
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virtual void | AddAtom (Atom *pAtom) |
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virtual void | AddBond (Bond *pBond) |
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virtual void | Remove (gcu::Object *pObject) |
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void | UpdateCycles (Bond *pBond) |
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void | UpdateCycles () |
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bool | operator== (Molecule const &molecule) const |
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virtual unsigned | GetAtomsNumber () const |
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void | Clear () |
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Atom const * | GetFirstAtom (std::list< Atom *>::const_iterator &i) const |
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Atom const * | GetNextAtom (std::list< Atom *>::const_iterator &i) const |
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Bond const * | GetFirstBond (std::list< Bond *>::const_iterator &i) const |
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Bond const * | GetNextBond (std::list< Bond *>::const_iterator &i) const |
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void | SetName (char const *name, char const *convention) |
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char const * | GetName (char const *convention=NULL) |
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std::string | Name () |
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void | ResetIndentifiers () |
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std::string const & | GetCML () |
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void | ClearCycles () |
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std::string const & | GetInChI () |
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std::string const & | GetInChIKey () |
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std::string const & | GetSMILES () |
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virtual std::string | GetRawFormula () const |
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| Object (TypeId Id=OtherType) |
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virtual | ~Object () |
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TypeId | GetType () const |
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void | SetId (gchar const *Id) |
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char const * | GetId () const |
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Object * | GetMolecule () const |
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Object * | GetReaction () const |
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Object * | GetGroup () const |
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Document * | GetDocument () const |
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Application * | GetApplication () const |
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Object * | GetParentOfType (TypeId Id) const |
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Object * | GetChild (const gchar *Id) const |
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Object * | GetFirstChild (std::map< std::string, Object *>::iterator &i) |
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Object * | GetNextChild (std::map< std::string, Object *>::iterator &i) |
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Object * | GetDescendant (const char *Id) const |
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Object * | GetParent () const |
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void | SetParent (Object *Parent) |
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virtual xmlNodePtr | Save (xmlDocPtr xml) const |
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virtual bool | Load (xmlNodePtr node) |
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virtual bool | GetCoords (double *x, double *y, double *z=NULL) const |
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virtual void | Move (double x, double y, double z=0.) |
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virtual void | Transform2D (Matrix2D &m, double x, double y) |
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bool | SaveChildren (xmlDocPtr xml, xmlNodePtr node) const |
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void | SaveId (xmlNodePtr node) const |
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xmlNodePtr | GetNodeByProp (xmlNodePtr node, char const *Property, char const *Id) |
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xmlNodePtr | GetNextNodeByProp (xmlNodePtr node, char const *Property, char const *Id) |
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xmlNodePtr | GetNodeByName (xmlNodePtr node, char const *Name) |
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xmlNodePtr | GetNextNodeByName (xmlNodePtr node, char const *Name) |
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bool | HasChildren () const |
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unsigned | GetChildrenNumber () const |
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virtual Object * | GetAtomAt (double x, double y, double z=0.) |
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virtual bool | Build (std::set< Object * > const &Children) throw (std::invalid_argument) |
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virtual double | GetYAlign () |
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virtual bool | BuildContextualMenu (UIManager *uim, Object *object, double x, double y) |
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void | EmitSignal (SignalId Signal) |
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virtual bool | OnSignal (SignalId Signal, Object *Child) |
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void | Lock (bool state=true) |
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bool | IsLocked () |
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Object * | GetFirstLink (std::set< Object *>::iterator &i) |
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Object * | GetNextLink (std::set< Object *>::iterator &i) |
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void | Link (Object *object) |
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void | Unlink (Object *object) |
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virtual void | OnUnlink (Object *object) |
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void | GetPossibleAncestorTypes (std::set< TypeId > &types) const |
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virtual bool | SetProperty (unsigned property, char const *value) |
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virtual std::string | GetProperty (unsigned property) const |
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virtual void | OnLoaded () |
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void | SetDirty (bool dirty=true) |
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std::string | Identity () |
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virtual char const * | HasPropertiesDialog () const |
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virtual bool | CanSelect () const |
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virtual void | NotifyEmpty () |
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void | ShowPropertiesDialog () |
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bool | GetDirty (void) const |
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static Molecule * | MoleculeFromFormula (Document *Doc, Formula const &formula, bool add_pseudo=true) |
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static TypeId | AddType (std::string TypeName, Object *(*CreateFunc)(), TypeId id=OtherType) |
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static void | AddAlias (TypeId id, std::string TypeName) |
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static Object * | CreateObject (const std::string &TypeName, Object *parent=NULL) |
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static TypeId | GetTypeId (const std::string &Name) |
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static std::string | GetTypeName (TypeId Id) |
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static void | AddMenuCallback (TypeId Id, BuildMenuCb cb) |
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static void | AddRule (TypeId type1, RuleId rule, TypeId type2) |
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static void | AddRule (const std::string &type1, RuleId rule, const std::string &type2) |
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static const std::set< TypeId > & | GetRules (TypeId type, RuleId rule) |
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static const std::set< TypeId > & | GetRules (const std::string &type, RuleId rule) |
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static void | SetCreationLabel (TypeId Id, std::string Label) |
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static const std::string & | GetCreationLabel (TypeId Id) |
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static const std::string & | GetCreationLabel (const std::string &TypeName) |
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static SignalId | CreateNewSignalId () |
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virtual Dialog * | BuildPropertiesDialog () |
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std::list< Cycle * > | m_Cycles |
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std::list< Chain * > | m_Chains |
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std::list< Atom * > | m_Atoms |
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std::list< Bond * > | m_Bonds |
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Provide some uiser interface for molecules.
Definition at line 37 of file gcugtk/molecule.h.