The Gnome Chemistry Utils 0.13.3
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, size_t size=0)
void OnExportVRML (std::string const &filename)
void Clear ()
void SetDisplay3D (Display3DMode val)
Display3DMode GetDisplay3D (void) const
Display3DModeGetRefDisplay3D (void)

Detailed Description

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

Definition at line 61 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 134 of file chem3ddoc.h.

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

Definition at line 134 of file chem3ddoc.h.

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

Definition at line 88 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,
size_t  size = 0 
)
Parameters:
datathe inline data.
mime_typethe mime type of the data.
sizethe size of the data. If nul, the size will be evaluated from the string length.

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 134 of file chem3ddoc.h.


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