Avogadro libraries can be used from both C++ and Python interfaces.
The Avogadro libraries are developed to support the Avogadro2 application, and provide liberally BSD-licensed, open-source reusable components for both C++ and Python. At its core it is a platform for developing molecular visualization, editing and interactive simulation applications. This is achieved using a collection of libraries, along with a plugin interface allowing the platform to be easily extended and used in a variety of environments.
The Avogadro libraries are implemented as a set of libraries, where all classes
are implemented in the Avogadro
namespace, and each library uses a namespace
to distinguish members of that library. Include directories are also divided
up by library, resulting in classes such as
Avogadro::Core::Molecule in the
<avogadro/core/molecule.h>. Some of the main classes that are
useful to get acquainted with are:
Core::Molecule : The base molecule class, for representing molecules.
Core::Atom : Class representing atoms in a molecule.
Core::Bond : Class representing bonds in a molecule.
Io::FileFormatManager : Convenience functions for file format wrangling.
Io::FileFormat : Base class for all file format readers and writers.
Io::CjsonFormat : Chemical JSON format reader and writeer.
Rendering::Scene : Class managing the main scene graph used for rendering.
Rendering::Drawable : Base class for drawable items in the scene.
Rendering::SphereGeometry : Drawable item for spheres.
Rendering::CylinderGeometry : Drawable item for cylinders.
QtGui::PeriodicTableView : A periodic table widget.
QtOpenGL::GLWidget : Provides an OpenGL widget for 3D molecule rendering.
If you wish to extend Avogadro the main base classes are:
QtGui::ScenePlugin : Generate geometry to be rendered in the scene.
QtGui::ToolPlugin : Base class for mouse interaction, editing, etc.
QtGui::ExtensionPlugin : Base class for dialog/menu extensions.
Many examples of each can be found in the