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.
set_view_index
_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.
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.
_check_multipie
mp_set_group	MultiPie: Set group.
mp_add_site	MultiPie: Add equivalent sites.
mp_add_bond	MultiPie: Add equivalent bonds.
mp_add_vector	MultiPie: Add transformed vectors at equivalent sites or bonds.
mp_add_orbital	MultiPie: Add transformed orbitals at equivalent sites or bonds.
mp_add_bond_definition	MultiPie: Create bond definition.
mp_site_samb_list	MultiPie: Create site SAMB list.
mp_add_site_samb	MultiPie: Add site SAMB.
mp_bond_samb_list	MultiPie: Create bond SAMB list.
mp_add_bond_samb	MultiPie: Add bond SAMB.
mp_vector_samb_list	MultiPie: Create vector SAMB list.
mp_add_vector_samb	MultiPie: Add vector SAMB.
mp_add_vector_samb_modulation	MultiPie: Add vector SAMB with modulation.
mp_orbital_samb_list	MultiPie: Create orbital SAMB.
mp_add_orbital_samb	MultiPie: Add orbital SAMB.
mp_add_orbital_samb_modulation	MultiPie: Add orbital SAMB with modulation.

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
convert_to_str	Convert from object to str, and remove spaces.
get_data_range
convert_str_vector	Convert 3-component vector(s) to A.(position+cell).
split_filename	Split file name.
cat_filename	Cat filename.
create_qtdraw_file	Create QtDraw file as background.
convert_qtdraw_v3	Convert qtdraw file to version 3.
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.
actors
paintEvent
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.
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.
_set_default_zoom
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.
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).
mp_set_group	MultiPie: Set group or group status.
mp_add_site	MultiPie: Add equivalent sites.
mp_add_bond	MultiPie: Add equivalent bonds.
mp_add_vector	MultiPie: Add transformed vectors at equivalent sites or bonds.
mp_add_orbital	MultiPie: Add transformed orbitals at equivalent sites or bonds.
mp_add_bond_definition	MultiPie: Create bond definition.
mp_site_samb_list	MultiPie: Create site SAMB list.
mp_add_site_samb	MultiPie: Add site SAMB.
mp_bond_samb_list	MultiPie: Create bond SAMB list.
mp_add_bond_samb	MultiPie: Add bond SAMB.
mp_vector_samb_list	MultiPie: Create vector SAMB list.
mp_add_vector_samb	MultiPie: Add vector SAMB.
mp_add_vector_samb_modulation	MultiPie: Add vector SAMB with modulation.
mp_orbital_samb_list	MultiPie: Create orbital SAMB.
mp_add_orbital_samb	MultiPie: Add orbital SAMB.
mp_add_orbital_samb_modulation	MultiPie: Add orbital SAMB with modulation.

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_general_panel	Create general panel.
apply	Apply change.

validator.py

Global function

Function	Summary
check_symbol	Check symbol.
convert_to_bond	Convert to bond from str.
validator_int	Validator for int.
validator_float	Validator for float.
validator_list_float	Validator for list float.
validator_list_int	Validator for list int.
validator_math	Validator for math to LaTeX.
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.
fmt

group_model.py

GroupModel

Function	Summary
GroupModel	Group data model (2 layer parent-child tree model).
group_name	Group name.
header	Header label.
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.

mathjax.py

MathJaxSVG

Function	Summary
MathJaxSVG	MathJax converter.
_thread_main
convert	Convert latex to SVG string.
close
_get_cache_path
_get_attribute
_replace_attribute
_flatten_svg_string

Global function

Function	Summary
unwrap_inner_svg

color_palette.py

Global function

Function	Summary
name_sep
_rgb2html	convert RGB color to hex code (#???).
_hex2rgb	convert hex (#???) code to RGB.
custom_colormap	custom colormap.
check_color	check if name is color or colormap.

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.
color_palette	Color pallete.

delegate.py

Delegate

Function	Summary
Delegate
setEditorData
setModelData
paint

ComboDelegate

Function	Summary
ComboDelegate
createEditor
updateEditorGeometry
sizeHint

ColorDelegate

Function	Summary
ColorDelegate
createEditor
updateEditorGeometry
sizeHint

EditorDelegate

Function	Summary
EditorDelegate
createEditor
_set_data_size
updateEditorGeometry
sizeHint

logging_util.py

Global function

Function	Summary
start_logging	Start logging.

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.

message_box.py

MessageBox

Function	Summary
MessageBox	Message box.

group_view.py

GroupView

Function	Summary
GroupView	Group view.
update_widget
force_refresh_widgets
_do_force_refresh
_open_editors_for_row
set_widget	Set widget.
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.
selection_changed	For Selection changed.
select_row	Select row.
closeEvent
set_row_height_hint
row_height_hint
clear_row_heights
setModel

qt_event_util.py

Global function

Function	Summary
gui_qt	Execute Qt GUI mode in IPython (if available).
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.

custom_widget.py

Layout

Function	Summary
Layout	Layout widget.

Panel

Function	Summary
Panel	Panel widget.

Label

Function	Summary
Label	Label widget.
set_background
sizeHint

MathWidget

Function	Summary
MathWidget
setText
text
paintEvent
sizeHint

HBar

Function	Summary
HBar	Horizontal bar widget.

VSpacer

Function	Summary
VSpacer	Vertical spacer.

HSpacer

Function	Summary
HSpacer	Horizontal spacer.

ColorSelector

Function	Summary
ColorSelector	Color selector widget.

Button

Function	Summary
Button	Button widget.

Combo

Function	Summary
Combo	Combo widget.
get_item	Get item.
set_item	Set item.
find_index	Find index (including match).

Spin

Function	Summary
Spin	Spin widget.

DSpin

Function	Summary
DSpin	Spin widget.

Check

Function	Summary
Check	Check widget.
is_checked	Is checked ?

LineEdit

Function	Summary
LineEdit
set_validator
setText
_validate
_update_style
raw_text
set_read_only
keyPressEvent
focusOutEvent
focusInEvent
sizeHint

Editor

Function	Summary
Editor	Editor widget with math/text display.
_on_return	Called when Enter is pressed in editor.
_on_focus_out	Handle focus-out safely.
clearFocus	Exit edit mode, safely restoring display.
mouseDoubleClickEvent	Switch to edit mode on double click.
mousePressEvent	Handle focus changes safely.
text	Return current text.
setText	Set editor and display text.
setCurrentText
sizeHint

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.
showEvent
tab_change
_refresh_view_logic

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_actor_full	Create custom axes actor (crossed axes).
create_axes_widget	Create axes widget.
create_unit_cell	Create unit cell mesh.
create_cell_grid	Create grid point.
get_lattice_vector	Get lattice vector.
get_repeat_range	Get repeart range.
get_outside_box	Get indices outside range.
get_hkl_from_camera	Get index from camera.
get_camera_params	Get camera parameters.

util.py

Global function

Function	Summary
_check_shape	Check array shape.
str_to_sympy	Convert a string to a sympy.
to_latex	convert list to latex list.
check_multipie	Check if multipie is installed or not.
create_grid	Create grid.
read_dict	Read dict text file.
write_dict	write dict text file.
text_to_list	Convert single text to list.
apply	Apply function to (nested) list.
distance	group of sites with the same distance (in increasing order).
igrid	create integer grid points.
vec_latex
mat_latex

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.
_svg_to_qimage
_create_image
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_text2d	Create text 2d (math).
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.

read_material.py

Global function

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

util_parser.py

Global function

Function	Summary
get_model_cell	Get model and cell.
get_site_info	Get site information.
get_bond_info	Get bond information.
draw_site_bond	Draw site and bond.
parse_material	Parse material 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. (v2->v3)
get_data	Get updated data.
convert_version3	Converter from ver.1/2 to ver. 3.

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_qtdraw3.py

Global function

Function	Summary
cmd	Convert QtDraw to version 2.

tab_basis.py

TabBasis

Function	Summary
TabBasis
set_site
show_site_info
set_bond
show_bond_info
set_vector
show_vector_info
set_vector_list
set_orbital
show_orbital_info
set_orbital_list
show_bond_definition
show_site
show_bond
show_vector
show_vector_lc
show_orbital
show_orbital_lc
create_vector_modulation
create_orbital_modulation
show_vector_samb_modulation
show_orbital_samb_modulation
closeEvent
set_data
clear_data

multipie_data.py

MultiPieData

Function	Summary
MultiPieData	MultiPie data manager.
group
ps_group
p_group
mp_group
_get_group_list
_get_group_name
_type_list
set_crystal_type
set_group_type
set_group
set_status
set_axis
clear_data
_set_counter
_get_index_list
set_group_find_wyckoff
add_site
add_bond
add_vector
add_orbital
add_bond_definition
site_samb_list
add_site_samb
bond_samb_list
add_bond_samb
vector_samb_list
add_vector_samb
add_vector_samb_modulation
orbital_samb_list
add_orbital_samb
add_orbital_samb_modulation
_parse_modulation	Parse modulation list.
_parse_range	Parse range.

multipie_dialog.py

MultiPieDialog

Function	Summary
MultiPieDialog	MultiPie dialog.
set_title
set_data
clear_data
closeEvent

multipie_modulation_dialog.py

ModulationDialog

Function	Summary
ModulationDialog
create_panel
set_view
modulation_range
create_modulation
add_data
remove_data
accept_data
reject_data
reset

sub_group.py

SubGroup

Function	Summary
SubGroup
set_crystal_type
set_group_type
set_group
set_group_name
show_symmetry_operation
show_character_table
show_wyckoff_site
show_wyckoff_bond
show_product_table
closeEvent
set_data
clear_data

tab_group.py

TabGroup

Function	Summary
TabGroup
set_irrep_list
set_harm_list
set_wyckoff_list
set_irrep_decomp
show_harmonics_decomp
show_harmonics
show_harmonics_info
show_wyckoff_site
show_wyckoff_bond
find_wyckoff_set
set_atomic_bra_ket
show_atomic
show_response
closeEvent
set_data
clear_data

Global function

Function	Summary
_remove_latex

multipie_util.py

Global function

Function	Summary
phase_factor	Create phase factor.
create_samb_modulation
convert_vector_object
check_linear_combination

tab_object.py

TabObject

Function	Summary
TabObject
show_site
show_bond
show_vector
show_orbital
closeEvent
set_data
clear_data

multipie_info_dialog.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_site	Show Wyckoff position panel.
show_wyckoff_bond	Show Wyckoff position panel.
show_product_table	Show product table panel.
show_harmonics_decomp	Show harmonics decomposition panel.
show_harmonics_info	Show harmonics decomposition panel.
show_atomic_multipole	Show atomic multipole panel.
show_response	Show response tensor panel.
show_site_samb_panel	Show site SAMB panel.
show_bond_samb_panel	Show bond SAMB panel.
show_vector_samb_panel	Show vector SAMB panel.
show_orbital_samb_panel	Show orbital SAMB panel.

InfoPanel

Function	Summary
InfoPanel	Info panel.

multipie_plot.py

Global function

Function	Summary
plot_cell_site	Plot cell site.
plot_cell_bond	Plot cell bond.
plot_cell_vector	Plot cell vector.
plot_cell_multipole	Plot cell multipole.
plot_bond_definition
plot_site_cluster
plot_bond_cluster
plot_vector_cluster
plot_orbital_cluster