Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   File List   Compound Members   File Members   Related Pages  

GeometryDihedral Class Reference

GeometryMol subclass to measure and display dihedral angle between 4 atoms. More...

#include <GeometryDihedral.h>

Inheritance diagram for GeometryDihedral:

GeometryMol Displayable Pickable List of all members.

Public Methods

 GeometryDihedral (int *, int *, const int *cell, MoleculeList *, CommandQueue *, Displayable *)
 constructor: molecule id's, atom indices, molecule list. More...

virtual float calculate (void)
 recalculate dihedral angle and return it. More...

virtual void create_cmd_list ()
 draw the geometry marker. More...

virtual void set_pick (void)
 use the TCL variables. More...

Detailed Description

GeometryMol subclass to measure and display dihedral angle between 4 atoms.

Definition at line 29 of file GeometryDihedral.h.

Constructor & Destructor Documentation

GeometryDihedral::GeometryDihedral (  int *   ,
int *   ,
const int *    cell,
MoleculeList *   ,
CommandQueue *   ,
Displayable *   
) 
 

constructor: molecule id's, atom indices, molecule list.

Definition at line 33 of file GeometryDihedral.C.

Member Function Documentation

float GeometryDihedral::calculate (  void    )  [virtual]
 

recalculate dihedral angle and return it.

Reimplemented from GeometryMol.

Definition at line 45 of file GeometryDihedral.C.

References dihedral, GeometryMol::geomValue, and GeometryMol::normal_atom_coord.

void GeometryDihedral::create_cmd_list (    )  [virtual]
 

draw the geometry marker.

Implements GeometryMol.

Definition at line 63 of file GeometryDihedral.C.

References Displayable::cmdList, DASHEDLINE, GeometryMol::display_line, GeometryMol::display_string, GeometryMol::geomValue, midpoint, GeometryMol::my_color, DispCmdLineWidth::putdata, DispCmdLineType::putdata, DispCmdColorIndex::putdata, Displayable::reset_disp_list, GeometryMol::transformed_atom_coord, and GeometryMol::valuePos.

void GeometryDihedral::set_pick (  void    )  [virtual]
 

use the TCL variables.

Reimplemented from GeometryMol.

Definition at line 101 of file GeometryDihedral.C.

References GeometryMol::comIndex, GeometryMol::geomValue, GeometryMol::objIndex, GeometryMol::set_pick_selection, and GeometryMol::set_pick_value.

The documentation for this class was generated from the following files:
Generated on Thu May 23 01:48:49 2013 for VMD (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002