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GeometrySpring Class Reference

GeometryMol subclass to simulate and draw a spring between two atoms in IMD. More...

#include <GeometrySpring.h>

Inheritance diagram for GeometrySpring:

GeometryMol Displayable Pickable List of all members.

Public Methods

 GeometrySpring (int *, int *, MoleculeList *, CommandQueue *, float thek, Displayable *)
 constructor: molecule id's, atom indices, molecule list, spring constant. More...

virtual float calculate (void)
 recalculate the value of this geometry, and return it. More...

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

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

 ~GeometrySpring ()
void prepare ()
 specific preparations, called by draw_prepare, supplied by derived class. More...


Detailed Description

GeometryMol subclass to simulate and draw a spring between two atoms in IMD.

Definition at line 28 of file GeometrySpring.h.


Constructor & Destructor Documentation

GeometrySpring::GeometrySpring int *   ,
int *   ,
MoleculeList  ,
CommandQueue  ,
float    thek,
Displayable  
 

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

Definition at line 32 of file GeometrySpring.C.

References NULL.

GeometrySpring::~GeometrySpring  
 

Definition at line 123 of file GeometrySpring.C.


Member Function Documentation

float GeometrySpring::calculate void    [virtual]
 

recalculate the value of this geometry, and return it.

Reimplemented from GeometryMol.

Definition at line 46 of file GeometrySpring.C.

References GeometryMol::geomValue, norm, GeometryMol::normal_atom_coord, vec_add, vec_scale, and vec_sub.

void GeometrySpring::create_cmd_list   [virtual]
 

draw the geometry marker.

Implements GeometryMol.

Definition at line 87 of file GeometrySpring.C.

References Displayable::cmdList, GeometryMol::display_line, GeometryMol::display_string, GeometryMol::geomValue, midpoint, Displayable::reset_disp_list, GeometryMol::transformed_atom_coord, and GeometryMol::valuePos.

void GeometrySpring::prepare   [virtual]
 

specific preparations, called by draw_prepare, supplied by derived class.

Reimplemented from Displayable.

Definition at line 67 of file GeometrySpring.C.

References Molecule::addForce, GeometryMol::comIndex, MoleculeList::mol_from_id, GeometryMol::molList, GeometryMol::objIndex, and vec_scale.

void GeometrySpring::set_pick void    [virtual]
 

use the TCL variables.

Reimplemented from GeometryMol.

Definition at line 112 of file GeometrySpring.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:
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