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GraphicsFltkRepOrbital Class Reference

'Orbital' representation controls. More...

#include <GraphicsFltkReps.h>

Inheritance diagram for GraphicsFltkRepOrbital:

List of all members.

Public Methods
int	is_orbital ()
void	dataset_clear ()
void	dataset_append (const char *nm, double newmin, double newmax)
void	regen_wavefunctypes ()
void	regen_excitationlist ()
void	regen_orbitallist (int orblistcenter=10)
	GraphicsFltkRepOrbital (Fl_Callback *cb, void *v)
const char *	repcmd ()
void	set_values (AtomRep *rep)
void	set_grid_stepsize (int step)
Protected Methods
void	do_dataset_clear ()
void	do_dataset_append (const char *, double min, double max)
void	do_reset ()
Protected Attributes
RepChoice *	wavefnctype
RepChoiceSmall *	wavefncspin
RepChoiceSmall *	wavefncexcitation
RepChoiceSmall *	orbitalindex
ResizeArray< minmax >	minmaxlist

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Detailed Description

'Orbital' representation controls.

Definition at line 1396 of file GraphicsFltkReps.h.

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Constructor & Destructor Documentation

GraphicsFltkRepOrbital::GraphicsFltkRepOrbital (  Fl_Callback *    cb, void *    v )  [inline]

Definition at line 1765 of file GraphicsFltkReps.h. References CTRHEIGHT, VMDMENU_SLIDER_BG, VMDMENU_SLIDER_SEL, and VMDMENU_VALUE_SEL.

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Member Function Documentation

void GraphicsFltkRepOrbital::dataset_append (  const char *    nm, double    newmin, double    newmax )  [inline]

Definition at line 1422 of file GraphicsFltkReps.h. References ResizeArray::append, do_dataset_append, minmax, and ResizeArray::num. Referenced by regen_orbitallist.

void GraphicsFltkRepOrbital::dataset_clear (    )  [inline]

Definition at line 1416 of file GraphicsFltkReps.h. References ResizeArray::clear, and do_dataset_clear. Referenced by regen_orbitallist.

void GraphicsFltkRepOrbital::do_dataset_append (  const char *   , double    min, double    max )  [inline, protected]

Definition at line 1732 of file GraphicsFltkReps.h. Referenced by dataset_append.

void GraphicsFltkRepOrbital::do_dataset_clear (    )  [inline, protected]

Definition at line 1723 of file GraphicsFltkReps.h. Referenced by dataset_clear.

void GraphicsFltkRepOrbital::do_reset (    )  [inline, protected, virtual]

Reimplemented from GraphicsFltkRep. Definition at line 1743 of file GraphicsFltkReps.h. References regen_orbitallist, regen_wavefunctypes, and set_grid_stepsize.

int GraphicsFltkRepOrbital::is_orbital (  void    )  [inline, virtual]

Reimplemented from GraphicsFltkRep. Definition at line 1415 of file GraphicsFltkReps.h.

void GraphicsFltkRepOrbital::regen_excitationlist (    )  [inline]

Definition at line 1490 of file GraphicsFltkReps.h. References GraphicsFltkMenu::app, QMData::find_wavef_id_from_gui_specs, QMData::get_highest_excitation, GUI_WAVEF_SPIN_ALPHA, GUI_WAVEF_SPIN_BETA, QMData::has_wavef_guitype, MoleculeList::molecule, VMDApp::moleculeList, GraphicsFltkMenu::molindex, NULL, BaseMolecule::qm_data, and orbital_cbdata::self. Referenced by regen_wavefunctypes, and set_values.

void GraphicsFltkRepOrbital::regen_orbitallist (  int    orblistcenter = 10 )  [inline]

Definition at line 1533 of file GraphicsFltkReps.h. References GraphicsFltkMenu::app, dataset_append, dataset_clear, QMData::find_wavef_id_from_gui_specs, DrawMolecule::get_frame, QMTimestep::get_homo, QMData::get_max_avail_orbitals, QMTimestep::get_num_wavef, QMTimestep::get_orbital_id_from_index, QMData::has_orbital, MoleculeList::molecule, VMDApp::moleculeList, GraphicsFltkMenu::molindex, NULL, BaseMolecule::qm_data, Timestep::qm_timestep, and orbital_cbdata::self. Referenced by do_reset, set_values, and GraphicsFltkMenu::update_molchooser.

void GraphicsFltkRepOrbital::regen_wavefunctypes (    )  [inline]

Definition at line 1438 of file GraphicsFltkReps.h. References GraphicsFltkMenu::app, QMData::has_wavef_guitype, QMData::has_wavef_spin, MoleculeList::molecule, VMDApp::moleculeList, GraphicsFltkMenu::molindex, NULL, BaseMolecule::qm_data, regen_excitationlist, and orbital_cbdata::self. Referenced by do_reset, and GraphicsFltkMenu::update_molchooser.

const char* GraphicsFltkRepOrbital::repcmd (    )  [inline, virtual]

Implements GraphicsFltkRep. Definition at line 1844 of file GraphicsFltkReps.h. References GraphicsFltkRep::cmdbuf.

void GraphicsFltkRepOrbital::set_grid_stepsize (  int    step )  [inline]

Definition at line 1912 of file GraphicsFltkReps.h. Referenced by do_reset, and set_values.

void GraphicsFltkRepOrbital::set_values (  AtomRep *    rep )  [inline, virtual]

Implements GraphicsFltkRep. Definition at line 1858 of file GraphicsFltkReps.h. References AtomRep::BONDRES, AtomRep::get_data, AtomRep::GRIDSPACING, AtomRep::ISOLINETHICKNESS, AtomRep::ISOSTEPSIZE, AtomRep::LINETHICKNESS, ResizeArray::num, regen_excitationlist, regen_orbitallist, set_grid_stepsize, RepChoiceSmall::setvalue, RepChoice::setvalue, AtomRep::SPHERERAD, AtomRep::SPHERERES, AtomRep::WAVEFNCEXCITATION, AtomRep::WAVEFNCSPIN, and AtomRep::WAVEFNCTYPE.

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Member Data Documentation

ResizeArray<minmax> GraphicsFltkRepOrbital::minmaxlist [protected]

Definition at line 1411 of file GraphicsFltkReps.h.

RepChoiceSmall* GraphicsFltkRepOrbital::orbitalindex [protected]

Definition at line 1401 of file GraphicsFltkReps.h.

RepChoiceSmall* GraphicsFltkRepOrbital::wavefncexcitation [protected]

Definition at line 1400 of file GraphicsFltkReps.h.

RepChoiceSmall* GraphicsFltkRepOrbital::wavefncspin [protected]

Definition at line 1399 of file GraphicsFltkReps.h.

RepChoice* GraphicsFltkRepOrbital::wavefnctype [protected]

Definition at line 1398 of file GraphicsFltkReps.h.

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

• GraphicsFltkReps.h

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