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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:

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...

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Detailed Description

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

Definition at line 28 of file GeometrySpring.h.

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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.

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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.

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

• GeometrySpring.h
• GeometrySpring.C

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