The Gnome Chemistry Utils  0.12.11
Public Member Functions
gcu::Chem3dDoc Class Reference

#include <gcu/chem3ddoc.h>

Inheritance diagram for gcu::Chem3dDoc:
gcu::GLDocument gcu::Document gcu::Object gcu::DialogOwner

List of all members.

Public Member Functions

 Chem3dDoc ()
 Chem3dDoc (Application *App, GLView *View)
virtual ~Chem3dDoc ()
void Draw (Matrix const &m) const
bool IsEmpty ()
void Load (char const *uri, char const *mime_type)
void LoadData (char const *data, char const *mime_type)
void OnExportVRML (std::string const &filename)
void Clear ()
void SetDisplay3D (Display3DMode val)
Display3DMode GetDisplay3D (void) const
Display3DModeGetRefDisplay3D (void)
- Public Member Functions inherited from gcu::GLDocument
 GLDocument (Application *App)
virtual ~GLDocument ()
double GetMaxDist (void)
GLViewGetView (void)
- Public Member Functions inherited from gcu::Document
 Document (Application *App=NULL)
virtual ~Document ()
std::string & GetTranslatedId (const char *id)
void EraseTranslationId (const char *Id)
void EmptyTranslationTable ()
virtual void SetTitle (std::string &title)
virtual void SetTitle (char const *title)
std::string & GetTitle ()
void NotifyDirty (Object *pObject)
virtual void Save () const
virtual ResidueCreateResidue (char const *name, char const *symbol, Molecule *molecule)
virtual Residue const * GetResidue (char const *symbol, bool *ambiguous=NULL)
virtual GtkWindow * GetGtkWindow ()
bool SetTarget (char const *id, Object **target, Object *parent, Object *owner=NULL) throw (std::runtime_error)
virtual bool Loaded () throw (LoaderError)
std::string Name ()
ApplicationGetApp (void)
bool GetEmpty (void)
void SetScale (double val)
double GetScale (void) const
double & GetRefScale (void)
- Public Member Functions inherited from gcu::Object
 Object (TypeId Id=OtherType)
virtual ~Object ()
TypeId GetType () const
void SetId (gchar const *Id)
gchar const * GetId () const
virtual void AddChild (Object *object)
ObjectGetMolecule () const
ObjectGetReaction () const
ObjectGetGroup () const
DocumentGetDocument () const
ObjectGetParentOfType (TypeId Id) const
ObjectGetChild (const gchar *Id) const
ObjectGetFirstChild (std::map< std::string, Object * >::iterator &i)
ObjectGetNextChild (std::map< std::string, Object * >::iterator &i)
ObjectGetDescendant (const gchar *Id) const
ObjectGetParent () const
void SetParent (Object *Parent)
virtual xmlNodePtr Save (xmlDocPtr xml) const
virtual bool Load (xmlNodePtr node)
virtual void Move (double x, double y, double z=0.)
virtual void Transform2D (Matrix2D &m, double x, double y)
bool SaveChildren (xmlDocPtr xml, xmlNodePtr node) const
void SaveId (xmlNodePtr node) const
xmlNodePtr GetNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
xmlNodePtr GetNextNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
xmlNodePtr GetNodeByName (xmlNodePtr node, char const *Name)
xmlNodePtr GetNextNodeByName (xmlNodePtr node, char const *Name)
bool HasChildren () const
unsigned GetChildrenNumber () const
virtual ObjectGetAtomAt (double x, double y, double z=0.)
virtual bool Build (std::list< Object * > &Children) throw (std::invalid_argument)
virtual double GetYAlign ()
virtual bool BuildContextualMenu (GtkUIManager *UIManager, Object *object, double x, double y)
void EmitSignal (SignalId Signal)
virtual bool OnSignal (SignalId Signal, Object *Child)
void Lock (bool state=true)
bool IsLocked ()
ObjectGetFirstLink (std::set< Object * >::iterator &i)
ObjectGetNextLink (std::set< Object * >::iterator &i)
void Link (Object *object)
void Unlink (Object *object)
virtual void OnUnlink (Object *object)
void GetPossibleAncestorTypes (std::set< TypeId > &types) const
virtual bool SetProperty (unsigned property, char const *value)
virtual std::string GetProperty (unsigned property) const
virtual void OnLoaded ()
void SetDirty (bool dirty=true)
std::string Identity ()
virtual char const * HasPropertiesDialog () const
void ShowPropertiesDialog ()
bool GetDirty (void) const
- Public Member Functions inherited from gcu::DialogOwner
 DialogOwner ()
virtual ~DialogOwner ()
DialogGetDialog (std::string name)
void ClearDialogs ()

Additional Inherited Members

- Protected Attributes inherited from gcu::GLDocument
double m_MaxDist
GLViewm_View
- Protected Attributes inherited from gcu::Document
std::string m_Title
std::set< Object * > m_DirtyObjects
Applicationm_App
bool m_Empty

Detailed Description

Document class for a molecule. Embeds an OpenBabel::OBMol object.

Definition at line 62 of file chem3ddoc.h.


Constructor & Destructor Documentation

gcu::Chem3dDoc::Chem3dDoc ( )

Default constructor

gcu::Chem3dDoc::Chem3dDoc ( Application App,
GLView View 
)
Parameters:
Appthe application.
View,:an optional already existing GLView instance.
virtual gcu::Chem3dDoc::~Chem3dDoc ( )
virtual

Default destructor


Member Function Documentation

void gcu::Chem3dDoc::Clear ( )
virtual

Clears the document.

Reimplemented from gcu::Object.

void gcu::Chem3dDoc::Draw ( Matrix const &  m) const
virtual
Parameters:
mthe Matrix giving the current model orientation

Displays the molecule using OpenGL.

Implements gcu::GLDocument.

gcu::Chem3dDoc::GetDisplay3D ( void  ) const
inline
Returns:
the current mode.

Definition at line 133 of file chem3ddoc.h.

gcu::Chem3dDoc::GetRefDisplay3D ( void  )
inline
Returns:
the current mode as a reference.

Definition at line 133 of file chem3ddoc.h.

bool gcu::Chem3dDoc::IsEmpty ( )
inline
Returns:
true if the molecule have no atom, false otherwise.

Definition at line 89 of file chem3ddoc.h.

References gcu::Molecule::GetAtomsNumber().

void gcu::Chem3dDoc::Load ( char const *  uri,
char const *  mime_type 
)
Parameters:
urithe uri of the molecule file.
mime_typethe mime type of the molecule file.

Loads a molecule from the provided uri using OpenBabel.

void gcu::Chem3dDoc::LoadData ( char const *  data,
char const *  mime_type 
)
Parameters:
datathe inline data.
mime_typethe mime type of the data.

Loads a molecule from the provided data using OpenBabel.

void gcu::Chem3dDoc::OnExportVRML ( std::string const &  filename)
Parameters:
filenamethe name of the vrml file to which the data should be written.

Exports the embedded molecule as a vrml scene.

gcu::Chem3dDoc::SetDisplay3D ( Display3DMode  mode)
inline
Parameters:
mode,:the new mode.

Sets the display mode to one of the available Display3DMode values.

Definition at line 133 of file chem3ddoc.h.


The documentation for this class was generated from the following file: