File: entity.dox

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namespace ost { namespace gfx {

/*!

 \page gfx_ent Graphical Entity
 
 \section gfx_ent_intro Introduction
 
 The main bunch of functionality to render molecular entities is provided by the
 Entity class. The rendering is very flexible: The coloring and render style of
 every atom and bond can be configured independently. 
 
 
 \section gfx_color Coloring
 
 The graphical entity has a sophisticated interface to modify the color of an
 entity. A very common use-case is to color an entity based on the atom
 elements with Entity::ColorByElement(). Entity::SetColor() is used to set the
 color of one or more atoms to a uniform color. To set the full entity to a nice
 red color, use
 
 \code
  gfx::Entity gfx_ent=...;
  gfx_ent->SetColor(gfx::RED)
 \endcode

It is also possible to only change the color of certain parts:

\code
  gfx::Entity gfx_ent=...;
  gfx_ent->SetColor(gfx::RED, "rname=ARG");
\endcode


 One of the most powerful features is the functionality offered by
 Entity::ColorBy(). These functions allow you to map numeric properties to
 colors. For example, to color an entity from N- to C-terminus in a gradient
 from RED to BLUE, use the following code:

\code
  gfx::Entity gfx_ent=...;
  gfx_ent->ColorBy('rnum', gfx::RED, gfx::BLUE);
\endcode
 
 Here, rnum refers to residue number. All numeric properties that are undestood
 by the query language can be used as an argument to ColorBy. In addition,
 ColorBy can also use generic properties.
 
 The color operations are remembered, even after changing the render mode. If
 you plan to change the color of an entity repeatedly it is of importance to
 reset the color state of the entity to remove unneccessary color operations by
 calling Entity::CleanColorOps().
 
 \subsection gfx_detail_color Fine-tuning the coloring
 
 The \ref RenderMode::HSC "cartoon" render mode uses two colors to color the
 secondary structure elements. The main color affects the top and bottom of
 extended  and the outside of helical elements. The %detail color is used for
 the inner side of helices and the rim of extended elements. This color is
 changed with Entity::SetDetailColor(). 
 
\section gfx_rm Render Modes

Render modes broadly fall into categories: Render modes at full connectivity level such as the \ref RenderMode::SIMPLE "simple", \ref RenderMode::CPK "spheres" and  \ref RenderMode::CUSTOM "balls & sticks" render modes and render modes that simplify the geometry of molecular entities. The latter class is represented by the \ref RenderMode::LINE_TRACE "trace", \ref RenderMode::SLINE "smooth line", \ref RenderMode::TUBE "tube" and \ref RenderMode::HSC "cartoon" render modes. Each of the entities can have more than one render mode at the same time, for example rendering one part at full connectivity level and one part at reduced %detail level. The following Python code snippet shows how to display an entity with a smooth backbone and showing sidechains that are close to the bound HEM at full connectivity. This example makes heavy use of the query language, for reference \ref query "see here".

\code
myo_go.SetRenderMode(gfx.SLINE)
near_hem=myo_go.view.Select('5.0 <> [rname=HEM]', mol.MATCH_RESIDUES)
ss_near_hem=near_hem.Select('aname!=CA,C,N,O', mol.EXCLUSIVE_BONDS)
myo_go.SetRenderMode(gfx.SIMPLE, ss_near_hem)
\endcode

\section gfx_sel Selection

Graphical entities have a selection. By default, the selection is rendered using a green halo. The view that describes the selection can be obtained with gfx::Entity::GetSelection() and changed with gfx::Entity::SetSelection().
 */

}}