Function Summary

qtdraw_app.py

QtDraw

Function	Summary
QtDraw	3D drawing tool.
create_gui	create gui.
open_file	Open file dialog.
load_file	Load file.
save_file	Save file dialog.
_save_screenshot	Save screenshot dialog.
create_panel	create right panel.
create_gui_unit_cell	Create unit cell panel.
create_gui_view	Create view panel.
create_gui_dataset	Create dataset panel.
create_gui_misc	Create misc. panel.
create_gui_debug	Create debug panel.
_update_panel	Update widget in panel.
_update_application	Update application sytle.
_update_title	Update window title.
_update_unit_cell	Update unit cell widget.
_update_view	Update view.
_set_crystal	Set crystal.
_set_origin	Set origin.
_set_a	Set lattice constant, a.
_set_b	Set lattice constant, b.
_set_c	Set lattice constant, c.
_set_alpha	Set lattice angle, alpha.
_set_beta	Set lattice angle, beta.
_set_gamma	Set lattice angle, gamma.
_set_clip	Set clip mode.
_set_repeat	Set repeat mode.
_set_bar	set bar.
_set_lower	Set lower bound.
_set_upper	set upper bound.
_set_view_default	set default.
_set_view	set view direction.
_set_parallel	set parallel projection mode.
_set_grid	set grid mode.
_set_axis_type	set axis type.
_set_cell_mode	set cell mode.
create_connection	Create connections.
_nonrepeat	Transform data into non-repeat data.
_show_preference	Show preference panel.
_show_about	Show about panel.
_show_multipie	Show MultiPie panel.
_show_status_data	Show status data dialog.
_show_preference_data	Show preference data dialog.
_show_actor_list	Show actor list dialog.
_show_raw_data	Show raw data dialog.
_show_camera_info	Show camera info. dialog.
_clear_data	Clear data (actor and data).
clear_data	Clear data (actor and data).
exec	Execute QtDraw.
closeEvent	Close with dialog.
close	Close dialogs.
update_status	Update status.
update_preference	Update preference.
write_info	Write text message into Info dialog.
add_site	Add site.
add_bond	Add bond.
add_vector	Add vector.
add_orbital	Add orbital.
add_stream	Add stream.
add_line	Add line.
add_plane	Add plane.
add_circle	Add circle.
add_torus	Add torus.
add_ellipsoid	Add ellipsoid.
add_toroid	Add toroid.
add_box	Add box.
add_polygon	Add polygon.
add_spline	Add spline.
add_spline_t	Add spline (parametric).
add_text3d	Add text 3d.
add_isosurface	Add isosurface.
add_caption	Add caption.
add_text2d	Add text 2d.
plot_orbital_from_data	Plot orbital from data.
plot_stream_from_data	Plot stream from data (vectors in cartesian coordinate).
set_model	Set model name.
set_unit_cell	Set unit cell.
set_crystal	Set crystal.
set_origin	Set origin.
set_clip	Set clip mode.
set_repeat	Set repeat mode.
set_nonrepeat	Transform data to non-repeat data.
set_range	Set cell range.
set_view	Set view point.
set_parallel_projection	Set parallel projection mode.
set_grid	Set grid mode.
set_bar	Set scalar bar mode.
set_axis	Set axis widget.
set_cell	Set unit cell.
add_mesh	Add any PyVista/VTK mesh or dataset that PyVista can wrap to the scene.
remove_actor	Remove actor.
load	Load all info.
save	save all info.
mp_set_group	MultiPie: Set point/sapce group.
mp_add_site	MultiPie: Add equivalent sites.
mp_add_bond	MultiPie: Add equivalent bonds.
mp_add_vector	MultiPie: Add vectors at equivalent sites or bonds.
mp_add_orbital	MultiPie: Add orbitals at equivalent sites or bonds.
mp_create_harmonics	MultiPie: Create harmonics list.
mp_add_harmonics	MultiPie: Add harmonics at equivalent sites or bonds.
mp_create_site_samb	MultiPie: Create site SAMB.
mp_add_site_samb	MultiPie: Add site SAMB.
mp_create_bond_samb	MultiPie: Create bond SAMB.
mp_add_bond_samb	MultiPie: Add bond SAMB.
mp_create_vector_samb	MultiPie: Create vector SAMB.
mp_add_vector_samb	MultiPie: Add vector SAMB.
mp_add_vector_samb_modulation	MultiPie: Add vector SAMB with modulation.
mp_create_orbital_samb	MultiPie: Create orbital SAMB.
mp_add_orbital_samb	MultiPie: Add orbital SAMB.
mp_add_orbital_samb_modulation	MultiPie: Add orbital SAMB with modulation.
mp_add_hopping	MultiPie: Add hopping bond directions.

dialog_about.py

Global function

Function	Summary
get_version_info	Get version info.

AboutDialog

Function	Summary
AboutDialog	About dialog.
create_about_panel	Create about panel.

pyvista_widget.py

Global function

Function	Summary
create_qtdraw_file	Create QtDraw file as background.
convert_qtdraw_v2	Convert qtdraw file to version 2.
set_light_prop

Window

Function	Summary
Window	Window with logging.

PlotSignal

Function	Summary
PlotSignal	For dict type of signal.

PyVistaWidget

Function	Summary
PyVistaWidget	Widget for 3d plot layer using PyVista.
clear_info	Clear info.
set_additional_status	Set additional status.
add_site	Add site.
add_bond	Add bond.
add_vector	Add vector.
add_orbital	Add orbital.
add_stream	Add stream.
add_line	Add line.
add_plane	Add plane.
add_circle	Add circle.
add_torus	Add torus.
add_ellipsoid	Add ellipsoid.
add_toroid	Add toroid.
add_box	Add box.
add_polygon	Add polygon.
add_spline	Add spline.
add_spline_t	Add spline (parametric).
add_text3d	Add text 3d.
add_isosurface	Add isosurface.
add_caption	Add caption.
add_text2d	Add text 2d.
load	Load all info.
get_data_dict	Get data dict.
restore	Restore data and status from backup.
save_current	Save current data and stutus into self._backup.
save	save all info.
save_screenshot	Save screenshot to file.
write_info	Write text message (emit message signal).
set_property	Set status and preference.
update_status	Update status.
update_preference	Update preference.
reload	Reload data and draw object.
refresh	Refresh widget setting.
a1	Get a1 unit vector.
a2	Get a2 unit vector.
a3	Get a3 unit vector.
origin	Get origin.
cell_volume	Get cell volume.
A_matrix	Get transform matrix.
A_matrix_norm	Get transform matrix (normalized).
G_matrix	Get metric matrix.
actor_list	Get list of actor.
window_title	Get window title.
copyright	Copyright string.
set_model	Set model name.
set_crystal	Set crystal.
set_origin	Set origin.
set_unit_cell	Set unit cell.
set_clip	Set clip mode.
hide_outside_actor	Hide actors outside the range.
clip_actor	Clip actor.
show_outside_actor	Show actors outside the range.
set_repeat	Set repeat mode.
set_range	Set cell range.
set_view	Set view point.
set_parallel_projection	Set parallel projection mode.
set_grid	Set grid mode.
set_bar	Set scalar bar mode.
set_axis	Set axis widget.
set_cell	Set unit cell.
init_data_model	Initialize data model.
set_theme	Set pyvista theme.
show_cell	Show unit cell.
set_light	Set light.
set_latex	Set LaTeX environment.
screen_off	Screen off.
screen_on	Screen on.
clear_data	Clear Data.
get_camera_info	Get camera info.
set_camera_info	Get camera info.
add_data	Add data.
repeat_data	Repeat data.
set_nonrepeat	Transform data to non-repeat data.
nonrepeat_data	Transform data to non-repeat data.
set_actor	Set actor.
delete_actor	Remove actor.
change_check_state	Change check state (when name is off, label is also off).
open_tab_group_view	Open tab group view.
release_mouse	Release mouse button.
keyPressEvent	In order to prevent default keys.
closeEvent	In order to close QInteractor, and opened dialogs.
close	In order to close QInteractor, and opened dialogs.
remove_data	Remove data.
show_context_menu	Show context menu.
open_action	Action for open in context menum.
hide_action	Action for hide in context menu.
remove_action	Action for remove in context menu.
select_actor	Select actor with spotlight.
deselect_actor	Deselect actor with reset of spotlight.
deselect_actor_all	Deselect all selected actors.
change_selection	Change selection for spotlight.
find_index	Find index from actor.
set_common_row_data	Set common row data.
plot_data	Plot mesh from data.
redraw	Redraw all object.
common_option	Create common option to plot.
label_option	Create common option to plot.
check_hide	Check hide state.
plot_data_site	Plot site.
plot_data_bond	Plot bond.
plot_data_vector	Plot vector.
plot_data_orbital	Plot orbital.
plot_data_stream	Plot stream (vectors in cartesian coordinate).
plot_data_line	Plot line.
plot_data_plane	Plot plane.
plot_data_circle	Plot circle.
plot_data_torus	Plot torus.
plot_data_ellipsoid	Plot ellipsoid.
plot_data_toroid	Plot toroid.
plot_data_box	Plot box.
plot_data_polygon	Plot polygon.
plot_data_text3d	Plot text3d (view and offset in reduced coordinate).
plot_data_isosurface	Plot isosurface.
plot_data_spline	Plot spline.
plot_data_spline_t	Plot spline (parametric).
plot_data_caption	Plot caption.
plot_data_text2d	Plot text 2d.
plot_label	Plot label.
set_isosurface_data	Set isosurface data.
plot_orbital_from_data	Plot orbital from data.
plot_stream_from_data	Plot stream from data (vectors in cartesian coordinate).

dialog_preference.py

PreferenceDialog

Function	Summary
PreferenceDialog	Preference dialog.
create_label_panel	Create label panel.
create_axis_panel	Create axis panel.
create_cell_panel	Create cell panel.
create_light_panel	Create light panel.
create_latex_panel	Create LaTeX panel.
create_general_panel	Create general panel.
apply	Apply change.

validator.py

Global function

Function	Summary
validator_int	Validator for int.
validator_float	Validator for float.
validator_sympy_float	Validator for sympy.
validator_sympy	Validator for sympy.
validator_ilist	Validator for int list.
validator_list	Validator for sympy list.
validator_site	Validator for site.
validator_bond	Validator for bond.
validator_site_bond	Validator for site or bond.
validator_vector_site_bond	Validator for vector on site or bond.
validator_orbital_site_bond	Validator for orbital on site or bond.

group_model.py

GroupModel

Function	Summary
GroupModel	Group data model (2 layer parent-child tree model).
group_name	Group name.
header	Header label.
block_update_widget	Block update widget.
is_parent	Is parent index ?
update_check_state	Update check state data.
set_data	Set data from list data.
set_row_data	Set row data.
set_check	Set check state.
tolist	Convert to list.
emit_update_all	Emit update for all data.
find_item	Find item.
set_check_state	Set check state of row.
get_row_data	Get row data.
emit_update_data	Emit update data.
append_row	Append row.
remove_row	Remove row.
move_row	Move row.
action_copy_row	Slot for copy row action.
action_insert_row	Slot for insert row action.
action_remove_row	Slot for remove row action.
setData	Set data (override).
debug_data_changed	Debug for dataChanged signal.
debug_updata_data	Debug for updateData signal.
debug_item_tree	Debug for showing item tree.
show_index	Get raw index.
get_role_str	Get role string.
tolist_index	Row data for given index.
clear_data	Clear data with keeping header and column info.

delegate.py

Delegate

Function	Summary
Delegate	Base delegate.
setEditorData	Set editor data.
setModelData	Set model data.
updateEditorGeometry	Update editor geometry.
paint	Paint cell.

ComboDelegate

Function	Summary
ComboDelegate	Create delegate for Combo.
createEditor	Create combobox.

ColorDelegate

Function	Summary
ColorDelegate	Create delegate for ColorSelector.
createEditor	Create color selector.

EditorDelegate

Function	Summary
EditorDelegate	Create delegate for Editor.
createEditor	Create editor.

message_box.py

MessageBox

Function	Summary
MessageBox	Message box.

group_view.py

GroupView

Function	Summary
GroupView	Group view.
clear_selection	Clear selection.
mousePressEvent	Mouse press event for focus or clear selection.
keyPressEvent	Key press event for ESC and up and down keys.
context_menu	Context menu.
insert_row	Insert row.
copy_row	Copy row.
remove_row	Remove row.
update_widget	Update widget.
set_widget	Set widget.
selection_changed	For Selection changed.
select_row	Select row.

custom_widget.py

Layout

Function	Summary
Layout	Layout widget.

Panel

Function	Summary
Panel	Panel widget.

Color

Function	Summary
Color	Color

Label

Function	Summary
Label	Label widget.
setText	Set text.

ColorLabel

Function	Summary
ColorLabel	Color label widget.

LineEdit

Function	Summary
LineEdit	Line editor.
validator	Validator type.
read_only	Read only ?
close_edit	Close editor.
raw_text	Raw text.
setText	Set text.
set_validator	Set validator.
set_read_only	Set read only.
focusInEvent	Focus-out event.
focusOutEvent	Focus-out event.
clearFocus	Clear focus.
keyPressEvent	Key event.

HBar

Function	Summary
HBar	Horizontal bar item.

Button

Function	Summary
Button	Button widget.

Combo

Function	Summary
Combo	Combo widget.
get_item	Get item.
set_item	Set item.
find_index	Find index.

Spin

Function	Summary
Spin	Spin widget.

DSpin

Function	Summary
DSpin	Spin widget.

Check

Function	Summary
Check	Check widget.
is_checked	Is checked ?

VSpacer

Function	Summary
VSpacer	Vertical spacer.

HSpacer

Function	Summary
HSpacer	Horizontal spacer.

Editor

Function	Summary
Editor	Math equation label widget.
close_editor	Close editor.
clearFocus	Clear focus.
mouseDoubleClickEvent	Mouse double-click event.
mousePressEvent	Mouse click event.
text	Text.
setText	Set text.
raw_text	Raw text.
setCurrentText	Set current text.
currentText	Get current text.

ColorSelector

Function	Summary
ColorSelector	Color selector widget.

table_view.py

TableView

Function	Summary
TableView	Table view (math).

tab_group_view.py

TabGroupView

Function	Summary
TabGroupView	Data view group.
select_tab	Select tab.
closeEvent	Close event for deselect all.
update_widget	Update widget.

latex_to_png.py

Global function

Function	Summary
latex_to_png	Render a LaTeX string to png via matplotlib.

util_axis.py

Global function

Function	Summary
_create_label_axes_actor	Create label only orientation axes actor.
_create_axes_actor	Create custom axes actor.
create_axes_widget	Create axes widget.
create_unit_cell	Create unit cell mesh.
get_view_vector	Get view and viewup.
create_grid	Create grid point.
get_lattice_vector	Get lattice vector.
get_repeat_range	Get repeart range.
get_outside_box	Get indices outside range.

latex_to_svg.py

Global function

Function	Summary
latex_to_svg	Render a LaTeX string to svg via matplotlib.
get_svg_size	Get SVG size.

SVGWidget

Function	Summary
paintEvent

MathText

Function	Summary
MathText	Math Text via SVG.

util.py

Global function

Function	Summary
check_get_site	Check and get site.
check_get_bond	Check and get bond.
check_get_site_bond	Check and get site (bond center) from site_bond.
create_samb_object	Create SAMB object.
check_linear_combination	Check form of linear combination.
combined_format	Create formatted combined SAMB.
parse_modulation_list	Parse modulation list.

color_selector_util.py

Global function

Function	Summary
_colormap2pixmap	Convert colormap to pixmap.
_color2pixmap	Convert color/colormap to pixmap.
color2pixmap	Convert color/colormap to QPixmap.

util_str.py

Global function

Function	Summary
str_to_list	Convert a string to a list of strings.
is_regular_list	Is regular-shaped list ?
apply_to_list	Apply a function to each element of a list.
apply_to_numpy	Apply a function to each element of ndarray.
to_fraction	Convert a float number to a fractional one.
get_variable	Get variables used in a sympy expression.
str_to_sympy	Convert a string to a sympy.
str_to_numpy	Convert a string (list) to a numpy array.
affine_trans	Affine transformation, A.v + s.
str_to_sympy1	Convert a string to a sympy (new version).

logging_util.py

Global function

Function	Summary
timer	Timer decorater.
start_logging	Start logging.
wrapper

LogHandler

Function	Summary
LogHandler	Log handler.
emit	Emit message.

LogWidget

Function	Summary
LogWidget	Log widget.
append_text	Append text.
set_text	Set text.
clear	Clear log message.
save	Save log message.

basic_object.py

Global function

Function	Summary
_str_poly_array	Convert from polynomial string to scalar array.
_str_vec_array	Convert from polynomial string (vector) to vector and scalar (abs.) arrays.
create_sphere	Create sphere object.
create_bond	Create bond object.
create_vector	Create vector object.
create_orbital	Create orbital object.
create_stream	Create steam vector object.
create_line	Create line object.
create_plane	Create plane object.
create_circle	Create circle object.
create_torus	Create torus object.
create_ellipsoid	Create ellipsoid object.
create_toroid	Create ellipsoid object.
create_box	Create box object.
create_polygon	Create polygon object.
create_text3d	Create text3d object.
create_spline	Create spline object.
create_spline_t	Create parametric spline object.
create_isosurface	Create isosurface.
create_orbital_data	Create orbital object from data.
create_stream_data	Create steam vector object.

qt_event_util.py

Global function

Function	Summary
gui_qt	Execute gui magic command for qtconsole.
get_qt_application	Get Qt application.

ExceptionHook

Function	Summary
ExceptionHook	Exception hook.
hook	Callback for uncaught exceptions.
reset	Reset exception hook.

pdf_viewer.py

PDFViewer

Function	Summary
PDFViewer	Simple PDF viewer.
load	Load PDF file.
save	Save PDF file (default = current directory).
set_title	Set window title.

read_material.py

Global function

Function	Summary
read_draw	Read and draw CIF, XSF, VESTA file.

converter.py

Global function

Function	Summary
to_bool	Convert from string to bool.
get_status	Get update status.
get_camera	Get camera info.
get_preference	Get update preference.
get_multipie	Get multipie info.
get_data	Get updated data.
convert_version2	Converter from ver.1 to ver. 2.

vesta.py

Global function

Function	Summary
parse_vesta	parse VESTA file.
create_structure_vesta	create Structure from vesta dict.

xsf.py

Global function

Function	Summary
extract_data_xsf	Read xsf file (grid data part only).
create_data

qtdraw.py

Global function

Function	Summary
cmd	execute QtDraw.

conv_qtdraw2.py

Global function

Function	Summary
cmd	Convert QtDraw to version 2.

plugin_multipie.py

Global function

Function	Summary
_mapping_str	Convert mapping No. to those start from one.
remove_latex

MultiPiePlugin

Function	Summary
MultiPiePlugin	MultiPie plugin.
version	Version.
group	Group status dict.
obj	Object status dict.
basis	Basis status dict.
plus	Plus status dict.
counter	Counter number and increment.
clear_counter	Clear counter.
set_group	Set group and plus dict.
get_product_decomp	Set product decomposition.
get_harmonics_irrep	Get harmonics irrep.
get_harmonics	Get harmonics.
find_wyckoff	Find Wyckoff position.
add_equivalent_site	Add equivalent sites.
add_equivalent_bond	Add equivalent bonds.
add_vector_equivalent_site	Add vectors at equivalent sites.
add_orbital_equivalent_site	Add orbitals at equivalent sites.
create_combined	Create combined SAMB.
gen_site_samb	Generate site cluster SAMB.
gen_bond_samb	Generate bond cluster SAMB.
gen_vector_samb	Generate vector cluster SAMB.
gen_orbital_samb	Generate orbital cluster SAMB.
gen_hopping_samb	Generate hopping SAMB.
create_hopping_direction	Create normal bond direction.
add_site_samb	Add site cluster SAMB.
add_bond_samb	Add bond cluster SAMB.
add_vector_samb	Add vector cluster SAMB.
add_orbital_samb	Add orbital cluster SAMB.
add_vector_modulation	Add vector SAMB modulation.
add_orbital_modulation	Add orbitl SAMB modulation.
add_hopping_samb	Add normal hopping direction.
add_harmonics_set	Add harmonics set.
add_virtual_cluster	Add virtual cluster.
create_samb_modulation	Create SAMB modulation object.
create_phase_factor	Create phase factor.

dialog_modulation.py

ModulationDialog

Function	Summary
ModulationDialog	Modulation dialog.
create_panel	Create panel.
get_raw_data	Get raw modulation list.
add_modulation	Add modulation.
add_data	Add data in panel.
remove_data	Remove data in panel.
accept	Accept input.
reject	Reject input.
apply	Apply input.
close	Close.

dialog_info.py

Global function

Function	Summary
show_group_info	Show group info.
show_symmetry_operation	Show symmetry operation panel.
show_character_table	Show character table panel.
show_wyckoff	Show Wyckoff position panel.
show_product_table	Show product table panel.
show_harmonics	Show harmonics panel.
show_harmonics_decomp	Show harmonics decomposition panel.
show_virtual_cluster	Show virtual cluster panel.
show_atomic_multipole	Show atomic multipole panel.
show_response	Show response tensor panel.

InfoPanel

Function	Summary
InfoPanel	Info panel.

dialog_multipie.py

MultiPieDialog

Function	Summary
MultiPieDialog	MultiPie dialog.
group	Group status dict.
obj	Object status dict.
basis	Basis status dict.
plus	Plus status dict.
set_group_panel_value	Set initial values in group panel.
set_object_panel_value	Set initial values in object panel.
set_basis_panel_value	Set initial values in basis panel.
create_sub_group_panel	Create subgroup panel.
create_group_panel	Create group panel.
create_object_panel	Create object panel.
create_basis_panel	Create basis panel.
set_group_connection	Set connections in group panel.
set_object_connection	Set connections in object panel.
set_basis_connection	Set connections in basis panel.
set_group_item	Set group widgets.
set_irrep_item	Set irrep widgets.
set_wyckoff_item	Set Wyckoff list.
set_basis_item	Set basis widgets.
set_harmonics_item	Set harmonics widgets.
set_group_type	Set group type.
set_crystal_type	Set crystal type.
set_group	Set current group.
set_irrep_decomp	Set decomposition of product of irreps.
set_harmonics_type	Set harmonics type.
set_harmonics_rank	Set harmonics rank.
set_harmonics_decomp	Set harmonics decomposition.
set_vc_wyckoff	Set wyckoff in virtual cluster.
set_vc_neighbor	Set neighbor list in virtual cluster.
set_atomic_type	Set atomic multipole type.
set_atomic_basis_type	Set atomic multipole basis type.
set_atomic_bra_ket	Set bra and ket basis of atomic multipole.
set_response_type	Set type of response tensor.
set_response_rank	Set rank of response tensor.
set_obj_vector_type	Set vector type in object panel.
set_obj_orbital_type	Set orbital type in object panel.
set_obj_harmonics_type	Set harmonics type in object panel.
set_obj_harmonics_rank	Set harmonics rank in object panel.
set_obj_harmonics	Set harmonics in object panel.
set_obj_wyckoff	Set Wyckoff position in object panel.
show_symmetry_operation	Show symmetry operation panel.
show_character_table	Show character table panel.
show_wyckoff	Show Wyckoff position panel.
show_product_table	Show product table panel.
show_harmonics	Show harmonics panel.
show_harmonics_decomp	Show harmonics decomposition panel.
show_virtual_cluster	Show virtual cluster panel.
show_atomic	Show atomic multipole panel.
show_response	Show response tensor panel.
obj_add_site	Add representative site in object dict.
obj_add_bond	Add representative bond in object dict.
obj_add_vector	Add equivalent vectors in object dict.
obj_add_orbital	Add equivalent orbitals in object dict.
obj_add_harmonics	Add equivalent poing-group harmonics in object dict.
basis_gen_site	Generate site cluster SAMB.
basis_set_site_select	Set site cluster SAMB selection list.
basis_add_site	Add site cluster SAMB.
basis_gen_bond	Generate bond cluster SAMB.
basis_set_bond_select	Set bond cluster SAMB selection list.
basis_add_bond	Add bond cluster SAMB.
basis_gen_vector	Generate vector cluster SAMB.
basis_set_vector_select	Set vector cluster SAMB selection list.
basis_add_vector	Add vector cluster SAMB.
basis_add_vector_lc	Add linear combination of vector cluster SAMB.
basis_gen_vector_modulation	Generate vector modulation.
basis_gen_orbital	Generate orbital cluster SAMB.
basis_set_orbital_select	Set orbital cluster SAMB selection list.
basis_add_orbital	Add orbital cluster SAMB.
basis_add_orbital_lc	Add linear combination of orbital cluster SAMB.
basis_gen_orbital_modulation	Generate orbital modulation.
basis_add_hopping	Add hopping SAMB.
close	Close dialogs.