#include <mainwindow.h>

Inheritance diagram for MainWindow:

Public Slots
void	updateAnimation ()

Public Member Functions
	MainWindow (QWidget *parent=0)

	~MainWindow ()

	MainWindow (QWidget *parent=0)

	~MainWindow ()

	MainWindow (QWidget *parent=0)

	~MainWindow ()

	MainWindow (QWidget *parent=0)

	~MainWindow ()

	MainWindow (QWidget *parent=0)

	~MainWindow ()

	MainWindow (QWidget *parent=0)

	~MainWindow ()

Protected Member Functions
void	initializeGL () override

void	resizeGL (int w, int h) override

void	paintGL () override

void	paintEvent (QPaintEvent *event) override

void	resizeEvent (QResizeEvent *event) override

Private Slots
void	on_control_changed ()
	What do to when a control reports that the user has changed a value. (Update the pose). More...

void	on_control_changed_requiring_pose_rebuild ()
	What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required. More...

void	on_timer_refresh ()
	Periodically, check whether we need to update the pose and the display, and do so if we need to. More...

void	on_radiobutton_colourby_totalscore_clicked ()
	The user has selected that the pose be coloured by total score (per residue). Update accordingly. More...

void	on_control_changed ()
	What do to when a control reports that the user has changed a value. (Update the pose). More...

void	on_control_changed_requiring_pose_rebuild ()
	What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required. More...

void	on_timer_refresh ()
	Periodically, check whether we need to update the pose and the display, and do so if we need to. More...

void	on_pushButton_clicked ()
	The "export PDB" button is clicked. Dump a PDB file. More...

void	on_button_run_packer_clicked ()
	The user has clicked the run packer button. More...

void	on_checkbox_allow_design_clicked ()
	The user has checked or unchecked the allow design checkbox. More...

void	on_button_run_minimizer_clicked ()
	The user has clicked on the "run minimizer" button. More...

void	on_radiobutton_colourby_selection_clicked ()
	The user has selected that the pose be coloured by what's selected. Update accordingly. More...

void	on_radiobutton_colourby_totalscore_clicked ()
	The user has selected that the pose be coloured by total score (per residue). Update accordingly. More...

void	on_clearimported_button_clicked ()
	When the user clicks the "clear imported pose" button, clear the imported pose. More...

void	on_importPDB_button_clicked ()
	When the user clicks the "import pose" button, import a pose. More...

void	on_tool_drag_nonparametric_clicked ()
	When the user specifies that the mouse should be used for dragging the nonparametric geometry around. More...

void	on_tool_rotate_zoom_view_clicked ()
	When the user specifies that the mouse should be used for rotating the viewing direction around. More...

void	on_tool_rotate_nonparametric_clicked ()
	When the user specifies that the mouse should be used for rotating the nonparametric geometry around. More...

void	on_nonparametric_geometry_moved ()
	When the user indicates that the nonparametric geometry has moved. More...

void	on_add_helix_button_clicked ()
	What do to when the add_helix button is clicked. More...

void	on_helix_removed (core::Size const helix_to_remove)
	What do do when a remove helix button is clicked. More...

void	on_control_changed ()
	What do to when a control reports that the user has changed a value. (Update the pose). More...

void	on_control_changed_requiring_pose_rebuild ()
	What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required. More...

void	on_timer_refresh ()
	Periodically, check whether we need to update the pose and the display, and do so if we need to. More...

void	on_pushButton_clicked ()
	The "export PDB" button is clicked. Dump a PDB file. More...

void	on_checkbox_select_core_clicked ()
	The user has clicked the "select core" checkbox. Update the layer selector. More...

void	on_checkbox_select_boundary_clicked ()
	The user has clicked the "select boundary" checkbox. Update the layer selector. More...

void	on_checkbox_select_surface_clicked ()
	The user has clicked the "select surface" checkbox. Update the layer selector. More...

void	on_button_run_packer_clicked ()
	The user has clicked the run packer button. More...

void	on_checkbox_allow_design_clicked ()
	The user has checked or unchecked the allow design checkbox. More...

void	on_button_run_minimizer_clicked ()
	The user has clicked on the "run minimizer" button. More...

void	on_radiobutton_colourby_selection_clicked ()
	The user has selected that the pose be coloured by what's selected. Update accordingly. More...

void	on_radiobutton_colourby_totalscore_clicked ()
	The user has selected that the pose be coloured by total score (per residue). Update accordingly. More...

void	on_clearimported_button_clicked ()
	When the user clicks the "clear imported pose" button, clear the imported pose. More...

void	on_importPDB_button_clicked ()
	When the user clicks the "import pose" button, import a pose. More...

void	on_tool_drag_nonparametric_clicked ()
	When the user specifies that the mouse should be used for dragging the nonparametric geometry around. More...

void	on_tool_rotate_zoom_view_clicked ()
	When the user specifies that the mouse should be used for rotating the viewing direction around. More...

void	on_tool_rotate_nonparametric_clicked ()
	When the user specifies that the mouse should be used for rotating the nonparametric geometry around. More...

void	on_nonparametric_geometry_moved ()
	When the user indicates that the nonparametric geometry has moved. More...

void	on_presets_comboBox_currentIndexChanged (const QString &arg1)
	The user has selected a preset in the drop-down list. More...

Private Member Functions
void	update_pose ()
	Use the PerturbBundle mover to update the pose. More...

void	rebuild_pose_from_scratch ()
	Use the MakeBundle mover to build the pose. More...

void	update_pose ()
	Use the PerturbBundle mover to update the pose. More...

void	rebuild_pose_from_scratch ()
	Use the MakeBundle mover to build the pose. More...

void	update_helix_indices ()
	Update the indices of helices in UI elements. More...

void	update_layer_selector_settings ()
	Update the layer selector's settings from the UI. More...

void	update_residue_selector ()
	Switch the residue selector to a composite selector that does not select the imported geometry, or just use the layer selector, depending on whether we have imported geometry. More...

void	compute_com_vect (numeric::xyzVector< core::Real > &comvect) const
	Given a centre-of-mass vector, calculate the centre of mass of the nonparametric geometry in the pose. More...

void	update_pose ()
	Use the PerturbBundle mover to update the pose. More...

void	rebuild_pose_from_scratch ()
	Use the MakeBundle mover to build the pose. More...

void	update_helix_indices ()
	Update the indices of helices in UI elements. More...

void	update_later_helix_dependencies (core::Size const helix_to_remove)
	Given a helix to remove, update the dependencies of helices that depend on that helix. More...

void	update_layer_selector_settings ()
	Update the layer selector's settings from the UI. More...

void	update_residue_selector ()
	Switch the residue selector to a composite selector that does not select the imported geometry, or just use the layer selector, depending on whether we have imported geometry. More...

void	compute_com_vect (numeric::xyzVector< core::Real > &comvect) const
	Given a centre-of-mass vector, calculate the centre of mass of the nonparametric geometry in the pose. More...

void	perspectiveGL (GLdouble fovY, GLdouble aspect, GLdouble zNear, GLdouble zFar) const

void	create_pose () const

Private Attributes
Ui::MainWindow *	ui

core::pose::PoseOP	pose_
	A pose on which to operate. More...

core::scoring::ScoreFunctionOP	sfxn_
	A scorefunction, used for colouring the pose. More...

bool	need_to_update_pose_
	Do we need to update the pose? More...

bool	need_to_rebuild_pose_
	Do we need to rebuild the pose from scratch? More...

QTimer *	timer_
	A QTimer used to refresh the display. More...

ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget *	pose_draw_widget_
	A widget to draw the pose. More...

core::pose::PoseOP	nonparametric_pose_
	Optional, non-parametric geometry to add to the pose. More...

numeric::xyzVector< core::Real >	nonparametric_pose_offset_
	Translation vector for the nonparametric pose. More...

numeric::xyzTransform< core::Real >	nonparametric_pose_rotation_
	Rotation transform for the nonparametric pose. More...

core::select::residue_selector::LayerSelectorOP	layer_selector_
	A layer selector to select residues for pose manipulation. More...

core::select::residue_selector::ResidueSelectorOP	residue_selector_
	A residue selector to select residues for pose manipulation. More...

protocols::helical_bundle::PerturbBundleOP	perturb_bundle_
	A PerturbBundle mover, which we'll recycle. More...

QOpenGLContext *	context_

QOpenGLFunctions *	open_gl_functions_

float	rotation_

Constructor & Destructor Documentation

◆ MainWindow() [1/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

References on_timer_refresh(), pose_, pose_draw_widget_, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::selection, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::set_color_mode(), ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::set_pose(), and timer_.

◆ ~MainWindow() [1/6]

MainWindow::~MainWindow ( )

References ui.

◆ MainWindow() [2/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

◆ ~MainWindow() [2/6]

MainWindow::~MainWindow ( )

◆ MainWindow() [3/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

◆ ~MainWindow() [3/6]

MainWindow::~MainWindow ( )

◆ MainWindow() [4/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

◆ ~MainWindow() [4/6]

MainWindow::~MainWindow ( )

◆ MainWindow() [5/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

◆ ~MainWindow() [5/6]

MainWindow::~MainWindow ( )

◆ MainWindow() [6/6]

MainWindow::MainWindow ( QWidget * parent = 0 )

explicit

◆ ~MainWindow() [6/6]

MainWindow::~MainWindow ( )

Member Function Documentation

◆ compute_com_vect() [1/2]

void MainWindow::compute_com_vect ( numeric::xyzVector< core::Real > & comvect ) const

private

Given a centre-of-mass vector, calculate the centre of mass of the nonparametric geometry in the pose.

Does nothing (returns 0, 0, 0) if no nonparametric geometry is loaded.

References demo.D060_Folding::counter, nonparametric_pose_, beta_nonlocal::pose, and pose_.

Referenced by on_tool_rotate_nonparametric_clicked().

◆ compute_com_vect() [2/2]

void MainWindow::compute_com_vect ( numeric::xyzVector< core::Real > & comvect ) const

private

Given a centre-of-mass vector, calculate the centre of mass of the nonparametric geometry in the pose.

Does nothing (returns 0, 0, 0) if no nonparametric geometry is loaded.

◆ create_pose()

void MainWindow::create_pose ( ) const

private

References create_a3b_hbs::i, pose_, and basic::options::OptionKeys::in::file::xyz.

◆ initializeGL()

void MainWindow::initializeGL ( )

overrideprotected

References resizeGL(), and basic::options::OptionKeys::mp::visualize::width.

◆ on_add_helix_button_clicked

void MainWindow::on_add_helix_button_clicked ( )

privateslot

What do to when the add_helix button is clicked.

What do do when the add_helix button is clicked.

References on_control_changed(), on_control_changed_requiring_pose_rebuild(), on_helix_removed(), rebuild_pose_from_scratch(), and update_helix_indices().

Referenced by on_presets_comboBox_currentIndexChanged().

◆ on_button_run_minimizer_clicked [1/2]

void MainWindow::on_button_run_minimizer_clicked ( )

privateslot

The user has clicked on the "run minimizer" button.

References create_a3b_hbs::i, basic::options::OptionKeys::in::file::movemap, pose_, pose_draw_widget_, residue_selector_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_button_run_minimizer_clicked [2/2]

void MainWindow::on_button_run_minimizer_clicked ( )

privateslot

The user has clicked on the "run minimizer" button.

◆ on_button_run_packer_clicked [1/2]

void MainWindow::on_button_run_packer_clicked ( )

privateslot

The user has clicked the run packer button.

References basic::options::OptionKeys::chemical::chemical, pose_, pose_draw_widget_, basic::options::OptionKeys::dna::design::repack_only, residue_selector_, test.T120_core::sfxn, vancomycin::task, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_button_run_packer_clicked [2/2]

void MainWindow::on_button_run_packer_clicked ( )

privateslot

The user has clicked the run packer button.

◆ on_checkbox_allow_design_clicked [1/2]

void MainWindow::on_checkbox_allow_design_clicked ( )

privateslot

The user has checked or unchecked the allow design checkbox.

◆ on_checkbox_allow_design_clicked [2/2]

void MainWindow::on_checkbox_allow_design_clicked ( )

privateslot

The user has checked or unchecked the allow design checkbox.

◆ on_checkbox_select_boundary_clicked

void MainWindow::on_checkbox_select_boundary_clicked ( )

privateslot

The user has clicked the "select boundary" checkbox. Update the layer selector.

References pose_draw_widget_, update_layer_selector_settings(), and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_checkbox_select_core_clicked

void MainWindow::on_checkbox_select_core_clicked ( )

privateslot

The user has clicked the "select core" checkbox. Update the layer selector.

References pose_draw_widget_, update_layer_selector_settings(), and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_checkbox_select_surface_clicked

void MainWindow::on_checkbox_select_surface_clicked ( )

privateslot

The user has clicked the "select surface" checkbox. Update the layer selector.

References pose_draw_widget_, update_layer_selector_settings(), and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_clearimported_button_clicked [1/2]

void MainWindow::on_clearimported_button_clicked ( )

privateslot

When the user clicks the "clear imported pose" button, clear the imported pose.

References pose_.

◆ on_clearimported_button_clicked [2/2]

void MainWindow::on_clearimported_button_clicked ( )

privateslot

When the user clicks the "clear imported pose" button, clear the imported pose.

◆ on_control_changed [1/3]

void MainWindow::on_control_changed ( )

privateslot

What do to when a control reports that the user has changed a value. (Update the pose).

References need_to_update_pose_.

Referenced by on_add_helix_button_clicked().

◆ on_control_changed [2/3]

void MainWindow::on_control_changed ( )

privateslot

What do to when a control reports that the user has changed a value. (Update the pose).

◆ on_control_changed [3/3]

void MainWindow::on_control_changed ( )

privateslot

What do to when a control reports that the user has changed a value. (Update the pose).

◆ on_control_changed_requiring_pose_rebuild [1/3]

void MainWindow::on_control_changed_requiring_pose_rebuild ( )

privateslot

What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required.

References need_to_rebuild_pose_.

Referenced by on_add_helix_button_clicked().

◆ on_control_changed_requiring_pose_rebuild [2/3]

void MainWindow::on_control_changed_requiring_pose_rebuild ( )

privateslot

What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required.

◆ on_control_changed_requiring_pose_rebuild [3/3]

void MainWindow::on_control_changed_requiring_pose_rebuild ( )

privateslot

What do do when a control reports that the user has changed a value, AND a full rebuild of the pose is required.

◆ on_helix_removed

void MainWindow::on_helix_removed ( core::Size const helix_to_remove )

privateslot

What do do when a remove helix button is clicked.

References rebuild_pose_from_scratch(), update_helix_indices(), and update_later_helix_dependencies().

Referenced by on_add_helix_button_clicked().

◆ on_importPDB_button_clicked [1/2]

void MainWindow::on_importPDB_button_clicked ( )

privateslot

When the user clicks the "import pose" button, import a pose.

References lactamize::filename, demo.D010_Pose_structure::pdb_filename, and pose_.

◆ on_importPDB_button_clicked [2/2]

void MainWindow::on_importPDB_button_clicked ( )

privateslot

When the user clicks the "import pose" button, import a pose.

◆ on_nonparametric_geometry_moved [1/2]

void MainWindow::on_nonparametric_geometry_moved ( )

privateslot

When the user indicates that the nonparametric geometry has moved.

References ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::get_nonparametric_rotation_xform(), ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::get_nonparametric_translation_vect(), nonparametric_pose_, nonparametric_pose_offset_, nonparametric_pose_rotation_, beta_nonlocal::pose, pose_, pose_draw_widget_, sfxn_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_nonparametric_geometry_moved [2/2]

void MainWindow::on_nonparametric_geometry_moved ( )

privateslot

When the user indicates that the nonparametric geometry has moved.

◆ on_presets_comboBox_currentIndexChanged

void MainWindow::on_presets_comboBox_currentIndexChanged ( const QString & arg1 )

privateslot

The user has selected a preset in the drop-down list.

References create_a3b_hbs::i, on_add_helix_button_clicked(), ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::on_remove_button_clicked(), ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_everything_except_delta_omega0_copies_helix1(), ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_helix_length(), ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_invert(), ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_real_subwidget(), and ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_to_beta_strand().

◆ on_pushButton_clicked [1/2]

void MainWindow::on_pushButton_clicked ( )

privateslot

The "export PDB" button is clicked. Dump a PDB file.

References lactamize::filename, demo.D010_Pose_structure::pdb_filename, and pose_.

◆ on_pushButton_clicked [2/2]

void MainWindow::on_pushButton_clicked ( )

privateslot

The "export PDB" button is clicked. Dump a PDB file.

◆ on_radiobutton_colourby_selection_clicked [1/2]

void MainWindow::on_radiobutton_colourby_selection_clicked ( )

privateslot

The user has selected that the pose be coloured by what's selected. Update accordingly.

References pose_draw_widget_, sfxn_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_radiobutton_colourby_selection_clicked [2/2]

void MainWindow::on_radiobutton_colourby_selection_clicked ( )

privateslot

The user has selected that the pose be coloured by what's selected. Update accordingly.

◆ on_radiobutton_colourby_totalscore_clicked [1/3]

void MainWindow::on_radiobutton_colourby_totalscore_clicked ( )

privateslot

The user has selected that the pose be coloured by total score (per residue). Update accordingly.

References pose_draw_widget_, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::set_color_mode(), sfxn_, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::total_energy, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

◆ on_radiobutton_colourby_totalscore_clicked [2/3]

void MainWindow::on_radiobutton_colourby_totalscore_clicked ( )

privateslot

The user has selected that the pose be coloured by total score (per residue). Update accordingly.

◆ on_radiobutton_colourby_totalscore_clicked [3/3]

void MainWindow::on_radiobutton_colourby_totalscore_clicked ( )

privateslot

The user has selected that the pose be coloured by total score (per residue). Update accordingly.

◆ on_timer_refresh [1/3]

void MainWindow::on_timer_refresh ( )

privateslot

Periodically, check whether we need to update the pose and the display, and do so if we need to.

References need_to_rebuild_pose_, need_to_update_pose_, rebuild_pose_from_scratch(), and update_pose().

Referenced by MainWindow().

◆ on_timer_refresh [2/3]

void MainWindow::on_timer_refresh ( )

privateslot

Periodically, check whether we need to update the pose and the display, and do so if we need to.

◆ on_timer_refresh [3/3]

void MainWindow::on_timer_refresh ( )

privateslot

Periodically, check whether we need to update the pose and the display, and do so if we need to.

◆ on_tool_drag_nonparametric_clicked [1/2]

void MainWindow::on_tool_drag_nonparametric_clicked ( )

privateslot

When the user specifies that the mouse should be used for dragging the nonparametric geometry around.

References ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::determine_xyz_unit_vectors(), ui::ui_protocols::helical_bundle::HBPDOGLW_drag_nonparametric_geometry, pose_draw_widget_, and ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::set_extended_drag_mode().

◆ on_tool_drag_nonparametric_clicked [2/2]

void MainWindow::on_tool_drag_nonparametric_clicked ( )

privateslot

When the user specifies that the mouse should be used for dragging the nonparametric geometry around.

◆ on_tool_rotate_nonparametric_clicked [1/2]

void MainWindow::on_tool_rotate_nonparametric_clicked ( )

privateslot

When the user specifies that the mouse should be used for rotating the nonparametric geometry around.

References compute_com_vect(), ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::determine_xyz_unit_vectors(), ui::ui_protocols::helical_bundle::HBPDOGLW_rotate_nonparametric_geometry, pose_draw_widget_, ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::set_extended_drag_mode(), and ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::set_nonparametric_COM_vect().

◆ on_tool_rotate_nonparametric_clicked [2/2]

void MainWindow::on_tool_rotate_nonparametric_clicked ( )

privateslot

When the user specifies that the mouse should be used for rotating the nonparametric geometry around.

◆ on_tool_rotate_zoom_view_clicked [1/2]

void MainWindow::on_tool_rotate_zoom_view_clicked ( )

privateslot

When the user specifies that the mouse should be used for rotating the viewing direction around.

References ui::ui_protocols::helical_bundle::HBPDOGLW_base_class_mode, pose_draw_widget_, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::set_drag_mode(), and ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget::set_extended_drag_mode().

◆ on_tool_rotate_zoom_view_clicked [2/2]

void MainWindow::on_tool_rotate_zoom_view_clicked ( )

privateslot

When the user specifies that the mouse should be used for rotating the viewing direction around.

◆ paintEvent()

void MainWindow::paintEvent ( QPaintEvent * event )

overrideprotected

References paintGL().

◆ paintGL()

void MainWindow::paintGL ( )

overrideprotected

References build_restypes::elem, glutSolidSphere(), pose_, resizeGL(), rotation_, basic::options::OptionKeys::mp::visualize::width, and basic::options::OptionKeys::in::file::xyz.

Referenced by paintEvent().

◆ perspectiveGL()

void MainWindow::perspectiveGL	(	GLdouble	fovY,
		GLdouble	aspect,
		GLdouble	zNear,
		GLdouble	zFar
	)		const

private

References pi, and tan.

Referenced by resizeGL().

◆ rebuild_pose_from_scratch() [1/3]

void MainWindow::rebuild_pose_from_scratch ( )

private

Use the MakeBundle mover to build the pose.

References pose_, pose_draw_widget_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

Referenced by on_add_helix_button_clicked(), on_helix_removed(), and on_timer_refresh().

◆ rebuild_pose_from_scratch() [2/3]

void MainWindow::rebuild_pose_from_scratch ( )

private

Use the MakeBundle mover to build the pose.

◆ rebuild_pose_from_scratch() [3/3]

void MainWindow::rebuild_pose_from_scratch ( )

private

Use the MakeBundle mover to build the pose.

◆ resizeEvent()

void MainWindow::resizeEvent ( QResizeEvent * event )

overrideprotected

References resizeGL(), and basic::options::OptionKeys::mp::visualize::width.

◆ resizeGL()

void MainWindow::resizeGL	(	int	w,
		int	h
	)

overrideprotected

References h, perspectiveGL(), and w.

Referenced by initializeGL(), paintGL(), and resizeEvent().

◆ update_helix_indices() [1/2]

void MainWindow::update_helix_indices ( )

private

Update the indices of helices in UI elements.

References create_a3b_hbs::i, and ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::set_helix_index().

Referenced by on_add_helix_button_clicked(), and on_helix_removed().

◆ update_helix_indices() [2/2]

void MainWindow::update_helix_indices ( )

private

Update the indices of helices in UI elements.

◆ update_later_helix_dependencies()

void MainWindow::update_later_helix_dependencies ( core::Size const helix_to_remove )

private

Given a helix to remove, update the dependencies of helices that depend on that helix.

References create_a3b_hbs::i, ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::reset_controls_dependent_on_other_helix(), and ui::ui_protocols::helical_bundle::HelicalBundleDialogueWidget::update_control_dependencies_given_helix_to_be_removed().

Referenced by on_helix_removed().

◆ update_layer_selector_settings() [1/2]

void MainWindow::update_layer_selector_settings ( )

private

Update the layer selector's settings from the UI.

References layer_selector_.

Referenced by on_checkbox_select_boundary_clicked(), on_checkbox_select_core_clicked(), and on_checkbox_select_surface_clicked().

◆ update_layer_selector_settings() [2/2]

void MainWindow::update_layer_selector_settings ( )

private

Update the layer selector's settings from the UI.

◆ update_pose() [1/3]

void MainWindow::update_pose ( )

private

Use the PerturbBundle mover to update the pose.

Use the BundleGridSampler to update the pose.

References pose_draw_widget_, sfxn_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::update_pose_draw().

Referenced by on_timer_refresh().

◆ update_pose() [2/3]

void MainWindow::update_pose ( )

private

Use the PerturbBundle mover to update the pose.

◆ update_pose() [3/3]

void MainWindow::update_pose ( )

private

Use the PerturbBundle mover to update the pose.

◆ update_residue_selector() [1/2]

void MainWindow::update_residue_selector ( )

private

Switch the residue selector to a composite selector that does not select the imported geometry, or just use the layer selector, depending on whether we have imported geometry.

References create_a3b_hbs::i, layer_selector_, nonparametric_pose_, pose_draw_widget_, residue_selector_, and ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget::set_residue_selector().

◆ update_residue_selector() [2/2]

void MainWindow::update_residue_selector ( )

private

Switch the residue selector to a composite selector that does not select the imported geometry, or just use the layer selector, depending on whether we have imported geometry.

◆ updateAnimation

void MainWindow::updateAnimation ( )

slot

References pose_, and rotation_.

Member Data Documentation

◆ context_

QOpenGLContext* MainWindow::context_

private

◆ layer_selector_

core::select::residue_selector::LayerSelectorOP MainWindow::layer_selector_

private

A layer selector to select residues for pose manipulation.

Referenced by update_layer_selector_settings(), and update_residue_selector().

◆ need_to_rebuild_pose_

bool MainWindow::need_to_rebuild_pose_

private

Do we need to rebuild the pose from scratch?

Referenced by on_control_changed_requiring_pose_rebuild(), and on_timer_refresh().

◆ need_to_update_pose_

bool MainWindow::need_to_update_pose_

private

Do we need to update the pose?

Referenced by on_control_changed(), and on_timer_refresh().

◆ nonparametric_pose_

core::pose::PoseOP MainWindow::nonparametric_pose_

private

Optional, non-parametric geometry to add to the pose.

Referenced by compute_com_vect(), on_nonparametric_geometry_moved(), and update_residue_selector().

◆ nonparametric_pose_offset_

numeric::xyzVector< core::Real > MainWindow::nonparametric_pose_offset_

private

Translation vector for the nonparametric pose.

Referenced by on_nonparametric_geometry_moved().

◆ nonparametric_pose_rotation_

numeric::xyzTransform< core::Real > MainWindow::nonparametric_pose_rotation_

private

Rotation transform for the nonparametric pose.

Referenced by on_nonparametric_geometry_moved().

◆ open_gl_functions_

QOpenGLFunctions* MainWindow::open_gl_functions_

private

◆ perturb_bundle_

protocols::helical_bundle::PerturbBundleOP MainWindow::perturb_bundle_

private

A PerturbBundle mover, which we'll recycle.

◆ pose_

core::pose::PoseOP MainWindow::pose_

private

A pose on which to operate.

Referenced by compute_com_vect(), create_pose(), MainWindow(), on_button_run_minimizer_clicked(), on_button_run_packer_clicked(), on_clearimported_button_clicked(), on_importPDB_button_clicked(), on_nonparametric_geometry_moved(), on_pushButton_clicked(), paintGL(), sidechain_cst_3.Residue::pose_num(), rebuild_pose_from_scratch(), and updateAnimation().

◆ pose_draw_widget_

ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget * MainWindow::pose_draw_widget_

private

A widget to draw the pose.

Referenced by MainWindow(), on_button_run_minimizer_clicked(), on_button_run_packer_clicked(), on_checkbox_select_boundary_clicked(), on_checkbox_select_core_clicked(), on_checkbox_select_surface_clicked(), on_nonparametric_geometry_moved(), on_radiobutton_colourby_selection_clicked(), on_radiobutton_colourby_totalscore_clicked(), on_tool_drag_nonparametric_clicked(), on_tool_rotate_nonparametric_clicked(), on_tool_rotate_zoom_view_clicked(), rebuild_pose_from_scratch(), update_pose(), and update_residue_selector().

◆ residue_selector_

core::select::residue_selector::ResidueSelectorOP MainWindow::residue_selector_

private

A residue selector to select residues for pose manipulation.

Referenced by on_button_run_minimizer_clicked(), on_button_run_packer_clicked(), and update_residue_selector().

◆ rotation_

float MainWindow::rotation_

private

Referenced by paintGL(), and updateAnimation().

◆ sfxn_

core::scoring::ScoreFunctionOP MainWindow::sfxn_

private

A scorefunction, used for colouring the pose.

Referenced by on_nonparametric_geometry_moved(), on_radiobutton_colourby_selection_clicked(), on_radiobutton_colourby_totalscore_clicked(), and update_pose().

◆ timer_

QTimer * MainWindow::timer_

private

A QTimer used to refresh the display.

Referenced by MainWindow().

◆ ui

Ui::MainWindow * MainWindow::ui

private

Referenced by ~MainWindow().

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

src/ui/apps/pilot/awatkins/rna_denovo/mainwindow.h
src/ui/apps/pilot/awatkins/rna_denovo/mainwindow.cpp

Public Slots

Public Member Functions

Protected Member Functions

Private Slots

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ MainWindow() [1/6]

◆ ~MainWindow() [1/6]

◆ MainWindow() [2/6]

◆ ~MainWindow() [2/6]

◆ MainWindow() [3/6]

◆ ~MainWindow() [3/6]

◆ MainWindow() [4/6]

◆ ~MainWindow() [4/6]

◆ MainWindow() [5/6]

◆ ~MainWindow() [5/6]

◆ MainWindow() [6/6]

◆ ~MainWindow() [6/6]

Member Function Documentation

◆ compute_com_vect() [1/2]

◆ compute_com_vect() [2/2]

◆ create_pose()

◆ initializeGL()

◆ on_add_helix_button_clicked

◆ on_button_run_minimizer_clicked [1/2]

◆ on_button_run_minimizer_clicked [2/2]

◆ on_button_run_packer_clicked [1/2]

◆ on_button_run_packer_clicked [2/2]

◆ on_checkbox_allow_design_clicked [1/2]

◆ on_checkbox_allow_design_clicked [2/2]

◆ on_checkbox_select_boundary_clicked

◆ on_checkbox_select_core_clicked

◆ on_checkbox_select_surface_clicked

◆ on_clearimported_button_clicked [1/2]

◆ on_clearimported_button_clicked [2/2]

◆ on_control_changed [1/3]

◆ on_control_changed [2/3]

◆ on_control_changed [3/3]

◆ on_control_changed_requiring_pose_rebuild [1/3]

◆ on_control_changed_requiring_pose_rebuild [2/3]

◆ on_control_changed_requiring_pose_rebuild [3/3]

◆ on_helix_removed

◆ on_importPDB_button_clicked [1/2]

◆ on_importPDB_button_clicked [2/2]

◆ on_nonparametric_geometry_moved [1/2]

◆ on_nonparametric_geometry_moved [2/2]

◆ on_presets_comboBox_currentIndexChanged

◆ on_pushButton_clicked [1/2]

◆ on_pushButton_clicked [2/2]

◆ on_radiobutton_colourby_selection_clicked [1/2]

◆ on_radiobutton_colourby_selection_clicked [2/2]

◆ on_radiobutton_colourby_totalscore_clicked [1/3]

◆ on_radiobutton_colourby_totalscore_clicked [2/3]

◆ on_radiobutton_colourby_totalscore_clicked [3/3]

◆ on_timer_refresh [1/3]

◆ on_timer_refresh [2/3]

◆ on_timer_refresh [3/3]

◆ on_tool_drag_nonparametric_clicked [1/2]

◆ on_tool_drag_nonparametric_clicked [2/2]

◆ on_tool_rotate_nonparametric_clicked [1/2]

◆ on_tool_rotate_nonparametric_clicked [2/2]

◆ on_tool_rotate_zoom_view_clicked [1/2]

◆ on_tool_rotate_zoom_view_clicked [2/2]

◆ paintEvent()

◆ paintGL()

◆ perspectiveGL()

◆ rebuild_pose_from_scratch() [1/3]

◆ rebuild_pose_from_scratch() [2/3]

◆ rebuild_pose_from_scratch() [3/3]

◆ resizeEvent()

◆ resizeGL()

◆ update_helix_indices() [1/2]

◆ update_helix_indices() [2/2]

◆ update_later_helix_dependencies()

◆ update_layer_selector_settings() [1/2]

◆ update_layer_selector_settings() [2/2]

◆ update_pose() [1/3]

◆ update_pose() [2/3]

◆ update_pose() [3/3]