Usage from Python code

Contents

Usage from Python code#

QtDraw and PyVistaWidget can be used from Python code. The following API is avalilable to draw objects.

API in QtDraw#

Application of QtDraw.

This module provides application of QtDraw.

class QtDraw(filename=None, status=None, preference=None)[source]#

Bases: Window

3D drawing tool.

Parameters:

  • filename (str, optional) -- filename.

  • status (dict, optional) -- status.

  • preference (dict, optional) -- preference.

add_bond(direction=None, width=None, color=None, color2=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add bond.

Parameters:

  • direction (str, optional) -- bond direction. (default: [0,0,1])

  • width (float, optional) -- bond width. (default: 0.02)

  • color (str, optional) -- bond color (tail side). (default: silver)

  • color2 (str, optional) -- bond color (head side). (default: silver)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • bond position is at center.

add_box(a1=None, a2=None, a3=None, width=None, edge=None, edge_color=None, wireframe=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add box.

Parameters:

  • a1 (str, optional) -- box a1 vector. (default: [1,0,0])

  • a2 (str, optional) -- box a2 vector. (default: [0,1,0])

  • a3 (str, optional) -- box a3 vector. (default: [0,0,1])

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • wireframe (bool, optional) -- wireframe ? (default: False)

  • color (str, optional) -- box color. (default: yellowgreen)

  • cartesian (bool, optional) -- cartesian coordinate for shape ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_caption(caption=None, size=None, bold=None, color=None, position=None, cell=None, name=None, margin=None)[source]#

Add caption.

Parameters:

  • caption (str, optional) -- caption list. (default: [A,B,C])

  • size (int, optional) -- caption size. (default: 18)

  • bold (bool, optional) -- bold ? (default: True)

  • color (str, optional) -- caption color. (default: black)

  • position (str, optional) -- position of each caption. (default: [[0,0,0],[1,0,0],[1,1,0]])

  • cell (str, optional) -- cell. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_circle(normal=None, size=None, color=None, width=None, edge=None, edge_color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add circle.

Parameters:

  • normal (str, optional) -- circle normal vector. (default: [0,0,1])

  • size (float, optional) -- circle size. (default: 0.5)

  • color (str, optional) -- circle color. (default: salmon)

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_ellipsoid(normal=None, x_size=None, y_size=None, z_size=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add ellipsoid.

Parameters:

  • normal (str, optional) -- ellipsoid normal vector. (default: [0,0,1])

  • x_size (float, optional) -- ellipsoid x size. (default: 0.5)

  • y_size (float, optional) -- ellipsoid y size. (default: 0.4)

  • z_size (float, optional) -- ellipsoid z size. (default: 0.3)

  • color (str, optional) -- ellipsoid color. (default: cornflowerblue)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_isosurface(data=None, value=None, surface=None, color=None, color_range=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add isosurface.

Parameters:

  • data (str, optional) -- data (file) name for grid data. (default: "")

  • value (str, optional) -- isosurface values. (default: [0.5])

  • surface (str, optional) -- surface value name. (default: "")

  • color (str, optional) -- text color. (default: white)

  • color_range (str, optional) -- color range. (default: [0,1])

  • opacity (float, optional) -- opacity, [0,1]. (default: 0.8)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if filename is tuple, (name, dict), use dict data as name.

add_line(direction=None, width=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add line.

Parameters:

  • direction (str, optional) -- line direction. (default: [0,0,1])

  • width (float, optional) -- line width. (default: 0.02)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- line color. (default: strawberry)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_mesh(mesh, color=None, style=None, scalars=None, clim=None, show_edges=None, edge_color=None, point_size=None, line_width=None, opacity=None, flip_scalars=False, lighting=None, n_colors=256, interpolate_before_map=None, cmap=None, label=None, reset_camera=None, scalar_bar_args=None, show_scalar_bar=None, multi_colors=False, name=None, texture=None, render_points_as_spheres=None, render_lines_as_tubes=None, smooth_shading=None, split_sharp_edges=None, ambient=None, diffuse=None, specular=None, specular_power=None, nan_color=None, nan_opacity=1.0, culling=None, rgb=None, categories=False, silhouette=None, use_transparency=False, below_color=None, above_color=None, annotations=None, pickable=True, preference='point', log_scale=False, pbr=None, metallic=None, roughness=None, render=True, user_matrix=None, component=None, emissive=None, copy_mesh=False, backface_params=None, show_vertices=None, edge_opacity=None, **kwargs)[source]#

Add any PyVista/VTK mesh or dataset that PyVista can wrap to the scene.

See PyVista manual.

add_orbital(shape=None, surface=None, size=None, range=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add orbital.

Parameters:

  • shape (str, optional) -- orbital shape polynomial in terms of (x,y,z,r). (default: 3z**2-r**2)

  • surface (str, optional) -- orbital colormap polynomial in terms of (x,y,z,r). (default: "")

  • size (float, optional) -- orbital size. (default: 0.5)

  • range (list, optional) -- plot range of [th,phi]. (default: [[0,180],[0,360]])

  • color (str, optional) -- orbital color or colormap. (default: Wistia)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if surface is "", the same one of shape is used.

  • if size is positive, max. value is equivalent to size.

  • if size is negative, abs. value is scaled by size.

add_plane(normal=None, x_size=None, y_size=None, color=None, width=None, grid=None, grid_color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add plane.

Parameters:

  • normal (str, optional) -- plane normal vector. (default: [0,0,1])

  • x_size (float, optional) -- plane x size. (default: 1.0)

  • y_size (float, optional) -- plane y size. (default: 1.0)

  • color (str, optional) -- plane color. (default: sky)

  • width (float, optional) -- plane grid width. (default: 2.0)

  • grid (bool, optional) -- grid ? (default: False)

  • grid_color (str, optional) -- grid color. (default: black)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_polygon(point=None, connectivity=None, width=None, edge=None, edge_color=None, wireframe=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add polygon.

Parameters:

  • point (str, optional) -- polygon vertex points. (default: [[0,0,0],[0.8,0,0],[0,0.6,0],[0,0,0.4],[0.6,0.6,0]])

  • connectivity (str, optional) -- connectivity. (default: [[0,1,4,2],[0,1,3],[1,4,3],[2,0,3],[2,3,4]])

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • wireframe (bool, optional) -- wireframe ? (default: False)

  • color (str, optional) -- polygon color. (default: aluminum)

  • cartesian (bool, optional) -- cartesian coordinate for shape ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_site(size=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add site.

Parameters:

  • size (float, optional) -- site size. (default: 0.1)

  • color (str, optional) -- site color. (default: darkseagreen)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_spline(point=None, width=None, n_interp=None, closed=None, natural=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add spline.

Parameters:

  • point (str, optional) -- spline vertex points. (default: [[0,0,0],[1,0,1],[0,1,2]])

  • width (float, optional) -- spline width. (default: 0.01)

  • n_interp (int, optional) -- spline interpolation points. (default: 500)

  • closed (bool, optional) -- closed curve ? (default: False)

  • natural (bool, optional) -- natural edge ? (default: True)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- spline color. (default: banana)

  • cartesian (bool, optional) -- cartesian coordinate for point ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_spline_t(point=None, t_range=None, width=None, n_interp=None, closed=None, natural=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add spline (parametric).

Parameters:

  • point (str, optional) -- spline function vector in terms of t. (default: [cos(2 pi t), sin(2 pi t), t/2])

  • t_range (str, optional) -- spline t range [t0,t1,dt]. (default: [0,1,0.05])

  • width (float, optional) -- spline width. (default: 0.01)

  • n_interp (int, optional) -- spline interpolation points. (default: 500)

  • closed (bool, optional) -- closed curve ? (default: False)

  • natural (bool, optional) -- natural edge ? (default: True)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- splline color. (default: crimson)

  • cartesian (bool, optional) -- cartesian coordinate for point ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_stream(shape=None, vector=None, size=None, range=None, division=None, length=None, width=None, offset=None, abs_scale=None, color=None, component=None, shaft_R=None, tip_R=None, tip_length=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add stream.

Parameters:

  • shape (str, optional) -- shape polynomial on which stream put. (default: 1)

  • vector (str, optional) -- stream polynomials for [x,y,z] components. (default: [x,y,z])

  • size (float, optional) -- shape size. (default: 0.5)

  • range (list, optional) -- plot range of [th,phi]. (default: [[0,180],[0,360]])

  • division (list, optional) -- division of stream of [th,phi]. (default: [9,18])

  • length (float, optional) -- stream arrow size. (default: 0.1)

  • width (float, optional) -- stream arrow width. (default: 0.01)

  • offset (float, optional) -- stream arrow offset. (default: -0.43)

  • abs_scale (bool, optional) -- stream arrow scaled ? (default: False)

  • color (str, optional) -- stream arrow color or colormap. (default: coolwarm)

  • component (str, optional) -- use component or abs, "x/y/z/abs". (default: abs)

  • shaft_R (float, optional) -- shaft radius. (default: 1.0)

  • tip_R (float, optional) -- tip radius. (default: 2.0)

  • tip_length (float, optional) -- tip length. (default: 0.25)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if size is negative, shape is normalized.

add_text2d(caption=None, size=None, color=None, font=None, position=None, name=None)[source]#

Add text 2d.

Parameters:

  • caption (str, optional) -- caption. (default: text)

  • size (int, optional) -- caption size. (default: 8)

  • color (str, optional) -- caption color. (default: black)

  • font (str, optional) -- caption font. (default: arial)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

Note

  • if keyword is None, default value is used.

add_text3d(text=None, size=None, view=None, depth=None, offset=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add text 3d.

Parameters:

  • text (str, optional) -- text. (default: text)

  • size (float, optional) -- text size. (default: 0.3)

  • view (str, optional) -- text viewpoint. (default: [0,0,1])

  • depth (float, optional) -- text depth. (default: 0.2)

  • offset (str, optional) -- text offset. (default: [0,0,0])

  • color (str, optional) -- text color. (default: iron)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_toroid(normal=None, size=None, width=None, x_scale=None, y_scale=None, z_scale=None, ring_shape=None, tube_shape=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add toroid.

Parameters:

  • normal (str, optional) -- toroid normal vector. (default: [0,0,1])

  • size (float, optional) -- toroid size. (default: 0.5)

  • width (float, optional) -- toroid width. (default: 0.15)

  • x_scale (float, optional) -- toroid x scale. (default: 1.0)

  • y_scale (float, optional) -- toroid y scale. (default: 1.0)

  • z_scale (float, optional) -- toroid z scale. (default: 1.0)

  • ring_shape (float, optional) -- toroid ring shape. (default: 0.3)

  • tube_shape (float, optional) -- toroid tube shape. (default: 0.3)

  • color (str, optional) -- toroid color. (default: tan)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_torus(normal=None, size=None, width=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add torus.

Parameters:

  • normal (str, optional) -- torus normal vector. (default: [0,0,1])

  • size (float, optional) -- torus size. (default: 0.5)

  • width (float, optional) -- torus width. (default: 0.15)

  • color (str, optional) -- torus color. (default: cantaloupe)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_vector(direction=None, length=None, width=None, offset=None, color=None, cartesian=None, shaft_R=None, tip_R=None, tip_length=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add vector.

Parameters:

  • direction (str, optional) -- vector direction. (default: [0,0,1])

  • length (float, optional) -- vector length. (default: 1.0)

  • width (float, optional) -- vector width. (default: 0.02)

  • offset (float, optional) -- vector offset. (default: -0.43)

  • color (str, optional) -- vector color. (default: orange)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: True)

  • shaft_R (float, optional) -- shaft radius. (default: 1.0)

  • tip_R (float, optional) -- tip radius. (default: 2.0)

  • tip_length (float, optional) -- tip length. (default: 0.25)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if length is negative, norm of direction multiplied by |length| is used.

clear_data()[source]#

Clear data (actor and data).

load(filename)[source]#

Load all info.

Parameters:

filename (str) -- full file name.

mp_add_bond(bond, width=None, color=None, color2=None, opacity=None)[source]#

MultiPie: Add equivalent bonds.

Parameters:

  • bond (str) -- representative bond.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • color2 (str, optional) -- color2.

  • opacity (float, optional) -- opacity.

mp_add_bond_definition(bond, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Create bond definition.

Parameters:

  • bond (str) -- representative bond.

  • length (float, optional) -- length.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_bond_samb(tag, width=None, p_color=None, n_color=None, z_color=None, z_width=None, a_size=None)[source]#

MultiPie: Add bond SAMB.

Parameters:

  • tag (str) -- bond SAMB, obtained by mp_bond_samb_list.

  • width (float, optional) -- relative width.

  • p_color (str, optional) -- positive SAMB color.

  • n_color (str, optional) -- negative SAMB color.

  • z_color (str, optional) -- zero SAMB color.

  • z_width (float, optional) -- zero SAMB width.

  • a_size (float, optional) -- relative arrow size.

mp_add_orbital(orbital_sb, type='Q', average=False, size=None, color=None, opacity=None)[source]#

MultiPie: Add transformed orbitals at equivalent sites or bonds.

Parameters:

  • orbital_sb (str) -- orbital, "f(r) # site_bond".

  • type (str, optional) -- type of orbital, Q/G/T/M.

  • average (bool, optional) -- average ?

  • size (float, optional) -- size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_orbital_samb(lc, size=None, color=None, opacity=None)[source]#

MultiPie: Add orbital SAMB.

Parameters:

  • lc (str) -- linear combination of orbital SAMBs, obtained by mp_orbital_samb_list.

  • size (float, optional) -- relative size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_orbital_samb_modulation(modulation_range, size=None, color=None, opacity=None)[source]#

MultiPie: Add orbital SAMB with modulation.

Parameters:

  • modulation_range (str) -- modulation and range, "[[tag, coeff, k_vector, cos/sin]] : [r1, r2, r3]".

  • size (float, optional) -- relative size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_site(site, size=None, color=None, opacity=None)[source]#

MultiPie: Add equivalent sites.

Parameters:

  • site (str) -- representative site.

  • size (float, optional) -- size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_site_samb(tag, size=None, p_color=None, n_color=None, z_color=None, z_size=None)[source]#

MultiPie: Add site SAMB.

Parameters:

  • tag (str) -- site SAMB, obtained by mp_site_samb_list.

  • size (float, optional) -- relative size.

  • p_color (str, optional) -- positive SAMB color.

  • n_color (str, optional) -- negative SAMB color.

  • z_color (str, optional) -- zero SAMB color.

  • z_size (float, optional) -- zero SAMB size.

mp_add_vector(vector_sb, type='Q', cartesian=True, average=False, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add transformed vectors at equivalent sites or bonds.

Parameters:

  • vector_sb (str) -- vector, "v # site_bond".

  • type (str, optional) -- type of vector, Q/G/T/M.

  • cartesian (bool, optional) -- cartesian vector ?

  • average (bool, optional) -- average ?

  • length (float, optional) -- length.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_vector_samb(lc, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add vector SAMB.

Parameters:

  • lc (str) -- linear combination of vector SAMBs, obtained by mp_vector_samb_list.

  • length (float, optional) -- relative length.

  • width (float, optional) -- relative width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_vector_samb_modulation(modulation_range, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add vector SAMB with modulation.

Parameters:

  • modulation_range (str) -- modulation and range, "[[tag, coeff, k_vector, cos/sin]] : [r1, r2, r3]".

  • length (float, optional) -- relative length.

  • width (float, optional) -- relative width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_bond_samb_list(bond)[source]#

MultiPie: Create bond SAMB list.

Parameters:

bond (str) -- representative bond.

Returns:

  • (list) -- list of bond SAMB, [str].

mp_orbital_samb_list(site_bond, type='Q', rank=0)[source]#

MultiPie: Create orbital SAMB.

Parameters:

  • site_bond (str) -- representative site or bond.

  • type (str, optional) -- type of orbital, Q/G/T/M.

  • rank (int or str, optional) -- rank.

Returns:

  • (dict) -- list of orbital SAMB, Dict[samb_type, [str] ].

mp_set_group(group)[source]#

MultiPie: Set group.

Parameters:

group (str) -- group tag [default: C1].

mp_site_samb_list(site)[source]#

MultiPie: Create site SAMB list.

Parameters:

site (str) -- representative site.

Returns:

  • (list) -- list of site SAMB, [str].

mp_vector_samb_list(site_bond, type='Q')[source]#

MultiPie: Create vector SAMB list.

Parameters:

  • site_bond (str) -- representative site or bond.

  • type (str, optional) -- type of vector, Q/G/T/M.

Returns:

  • (dict) -- list of vector SAMB, Dict[samb_type, [str] ].

plot_orbital_from_data(name, shape, surface=None, size=1.0, point_size=0.03, spherical_plot=False, color='coolwarm', opacity=1.0, position=None)[source]#

Plot orbital from data.

Parameters:

  • name (str) -- plot name.

  • shape (ndarray) -- (x,y,z) orbital shape.

  • surface (ndarray, optional) -- (x,y,z) orbital colormap.

  • size (float, optional) -- orbital size.

  • point_size (float, optional) -- point size.

  • spherical_plot (bool, optional) -- spherical-like plot ?

  • color (str, optional) -- orbital color or colormap.

  • opacity (float, optional) -- opacity, [0,1].

  • position (ndarray) -- position (transformed).

Note

  • if surface is None, the same one of shape is used.

  • if size is positive, max. value is equivalent to size.

  • if size is negative, abs. value is scaled by size.

  • if point_size is None, no point is shown.

  • to remove object, use remove_actor(name).

plot_stream_from_data(name, vector, shape, surface=None, size=1.0, length=0.2, width=0.01, offset=-0.43, abs_scale=False, color='coolwarm', component='abs', spherical_plot=False, shaft_R=1.0, tip_R=2.0, tip_length=0.25, opacity=1.0, position=None)[source]#

Plot stream from data (vectors in cartesian coordinate).

Parameters:

  • name (str) -- object name.

  • vector (ndarray) -- stream vector [vx(x,y,z),vy(x,y,z),vz(x,y,z)] (cartesina).

  • shape (ndarray) -- f(x,y,z) shape on which stream put (cartesian).

  • surface (ndarray, optional) -- (x,y,z) orbital colormap.

  • size (float, optional) -- shape size.

  • length (float, optional) -- stream arrow size.

  • width (float, optional) -- stream arrow width.

  • offset (float, optional) -- stream arrow offest.

  • abs_scale (bool, optional) -- stream arrow scaled ?

  • color (str, optional) -- stream arrow color or colormap.

  • component (str, optional) -- use component or abs, "x/y/z/abs".

  • spherical_plot (bool, optional) -- spherical-like plot ?

  • shaft_R (float, optional) -- shaft radius.

  • tip_R (float, optional) -- tip radius.

  • tip_length (float, optional) -- tip length.

  • opacity (float, optional) -- opacity, [0,1].

  • position (ndarray) -- position (transformed).

Note

  • if size is negative, shape is normalized.

  • to remove object, use remove_actor(name).

remove_actor(actor, reset_camera=False, render=True)[source]#

Remove actor.

Parameters:

  • actor (str, vtk.vtkActor, list or tuple) -- actor name.

  • reset_camera (bool, optional) -- reset camera to show all actors ?

  • render (bool, optional) -- render upon actor removal.

Returns:

  • (bool) -- True if actor is removed.

save(filename)[source]#

save all info.

Parameters:

filename (str) -- full file name.

set_axis(axis_type=None)[source]#

Set axis widget.

Parameters:

axis_type (str, optional) -- axis type, "on/axis/full/off".

Note

  • if axis_type is None, default is used.

set_bar(mode=None)[source]#

Set scalar bar mode.

Parameters:

mode (bool, optional) -- show scalar bar ?

Note

  • if mode is None, default is used.

set_cell(mode=None)[source]#

Set unit cell.

Parameters:

mode (str, optional) -- mode "single/all/off.

Note

  • if mode is None, default is used.

set_clip(mode=None)[source]#

Set clip mode.

Parameters:

mode (bool, optional) -- clip object ?

Note

  • if mode is None, default is used.

set_crystal(crystal=None)[source]#

Set crystal.

Parameters:

crystal (str, optional) -- crystal, "triclinic/monoclinic/orthorhombic/tetragonal/trigonal/hexagonal/cubic".

Note

  • if crystal is None, default is used.

  • set unit cell.

set_grid(mode=None)[source]#

Set grid mode.

Parameters:

mode (bool, optional) -- use grid ?

Note

  • if mode is None, default is used.

set_model(name=None)[source]#

Set model name.

Parameters:

name (str, optional) -- model name.

Note

  • if name is None, default is used.

set_nonrepeat()[source]#

Transform data to non-repeat data.

set_origin(origin=None)[source]#

Set origin.

Parameters:

origin (list or str, optional) -- origin.

Note

  • if origin is None, default is used.

  • set cell.

set_parallel_projection(mode=None)[source]#

Set parallel projection mode.

Parameters:

mode (bool, optional) -- use parallel projection ?

Note

  • if mode is None, default is used.

set_range(lower=None, upper=None)[source]#

Set cell range.

Parameters:

  • lower (list or str, optional) -- lower bound, [float].

  • upper (list or str, optional) -- upper bound, [float].

Note

  • if lower/upper is None, default is used.

  • set cell.

set_repeat(mode=None)[source]#

Set repeat mode.

Parameters:

mode (bool, optional) -- repeat mode.

Note

  • if mode is None, default is used.

  • repeat data.

set_unit_cell(cell=None)[source]#

Set unit cell.

Parameters:

cell (dict, optional) -- unit cell, {a, b, c, alpha, beta, gamma}.

Note

  • if cell is None, default is used.

  • set cell.

set_view(view=None)[source]#

Set view point.

Parameters:

view (list or str, optional) -- view indices of [a1,a2,a3], [int].

Note

  • if view is None, default is used.

set_view_index(index)[source]#
staticMetaObject = PySide6.QtCore.QMetaObject("QtDraw" inherits "Window": )#

API in PyVistaWidget#

class PyVistaWidget(parent=None, off_screen=False)[source]#

Bases: QtInteractor

Widget for 3d plot layer using PyVista.

Parameters:

  • parent (QWidget, optional) -- parent.

  • off_screen (bool, optional) -- off screen ?

add_bond(direction=None, width=None, color=None, color2=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add bond.

Parameters:

  • direction (str, optional) -- bond direction. (default: [0,0,1])

  • width (float, optional) -- bond width. (default: 0.02)

  • color (str, optional) -- bond color (tail side). (default: silver)

  • color2 (str, optional) -- bond color (head side). (default: silver)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • bond position is at center.

add_box(a1=None, a2=None, a3=None, width=None, edge=None, edge_color=None, wireframe=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add box.

Parameters:

  • a1 (str, optional) -- box a1 vector. (default: [1,0,0])

  • a2 (str, optional) -- box a2 vector. (default: [0,1,0])

  • a3 (str, optional) -- box a3 vector. (default: [0,0,1])

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • wireframe (bool, optional) -- wireframe ? (default: False)

  • color (str, optional) -- box color. (default: yellowgreen)

  • cartesian (bool, optional) -- cartesian coordinate for shape ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_caption(caption=None, size=None, bold=None, color=None, position=None, cell=None, name=None, margin=None)[source]#

Add caption.

Parameters:

  • caption (str, optional) -- caption list. (default: [A,B,C])

  • size (int, optional) -- caption size. (default: 18)

  • bold (bool, optional) -- bold ? (default: True)

  • color (str, optional) -- caption color. (default: black)

  • position (str, optional) -- position of each caption. (default: [[0,0,0],[1,0,0],[1,1,0]])

  • cell (str, optional) -- cell. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_circle(normal=None, size=None, color=None, width=None, edge=None, edge_color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add circle.

Parameters:

  • normal (str, optional) -- circle normal vector. (default: [0,0,1])

  • size (float, optional) -- circle size. (default: 0.5)

  • color (str, optional) -- circle color. (default: salmon)

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_ellipsoid(normal=None, x_size=None, y_size=None, z_size=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add ellipsoid.

Parameters:

  • normal (str, optional) -- ellipsoid normal vector. (default: [0,0,1])

  • x_size (float, optional) -- ellipsoid x size. (default: 0.5)

  • y_size (float, optional) -- ellipsoid y size. (default: 0.4)

  • z_size (float, optional) -- ellipsoid z size. (default: 0.3)

  • color (str, optional) -- ellipsoid color. (default: cornflowerblue)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_isosurface(data=None, value=None, surface=None, color=None, color_range=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add isosurface.

Parameters:

  • data (str, optional) -- data (file) name for grid data. (default: "")

  • value (str, optional) -- isosurface values. (default: [0.5])

  • surface (str, optional) -- surface value name. (default: "")

  • color (str, optional) -- text color. (default: white)

  • color_range (str, optional) -- color range. (default: [0,1])

  • opacity (float, optional) -- opacity, [0,1]. (default: 0.8)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if filename is tuple, (name, dict), use dict data as name.

add_line(direction=None, width=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add line.

Parameters:

  • direction (str, optional) -- line direction. (default: [0,0,1])

  • width (float, optional) -- line width. (default: 0.02)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- line color. (default: strawberry)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_orbital(shape=None, surface=None, size=None, range=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add orbital.

Parameters:

  • shape (str, optional) -- orbital shape polynomial in terms of (x,y,z,r). (default: 3z**2-r**2)

  • surface (str, optional) -- orbital colormap polynomial in terms of (x,y,z,r). (default: "")

  • size (float, optional) -- orbital size. (default: 0.5)

  • range (list, optional) -- plot range of [th,phi]. (default: [[0,180],[0,360]])

  • color (str, optional) -- orbital color or colormap. (default: Wistia)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if surface is "", the same one of shape is used.

  • if size is positive, max. value is equivalent to size.

  • if size is negative, abs. value is scaled by size.

add_plane(normal=None, x_size=None, y_size=None, color=None, width=None, grid=None, grid_color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add plane.

Parameters:

  • normal (str, optional) -- plane normal vector. (default: [0,0,1])

  • x_size (float, optional) -- plane x size. (default: 1.0)

  • y_size (float, optional) -- plane y size. (default: 1.0)

  • color (str, optional) -- plane color. (default: sky)

  • width (float, optional) -- plane grid width. (default: 2.0)

  • grid (bool, optional) -- grid ? (default: False)

  • grid_color (str, optional) -- grid color. (default: black)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_polygon(point=None, connectivity=None, width=None, edge=None, edge_color=None, wireframe=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add polygon.

Parameters:

  • point (str, optional) -- polygon vertex points. (default: [[0,0,0],[0.8,0,0],[0,0.6,0],[0,0,0.4],[0.6,0.6,0]])

  • connectivity (str, optional) -- connectivity. (default: [[0,1,4,2],[0,1,3],[1,4,3],[2,0,3],[2,3,4]])

  • width (float, optional) -- edge width. (default: 2.0)

  • edge (bool, optional) -- edge ? (default: True)

  • edge_color (str, optional) -- edge color. (default: black)

  • wireframe (bool, optional) -- wireframe ? (default: False)

  • color (str, optional) -- polygon color. (default: aluminum)

  • cartesian (bool, optional) -- cartesian coordinate for shape ? (default: False)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_site(size=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add site.

Parameters:

  • size (float, optional) -- site size. (default: 0.1)

  • color (str, optional) -- site color. (default: darkseagreen)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_spline(point=None, width=None, n_interp=None, closed=None, natural=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add spline.

Parameters:

  • point (str, optional) -- spline vertex points. (default: [[0,0,0],[1,0,1],[0,1,2]])

  • width (float, optional) -- spline width. (default: 0.01)

  • n_interp (int, optional) -- spline interpolation points. (default: 500)

  • closed (bool, optional) -- closed curve ? (default: False)

  • natural (bool, optional) -- natural edge ? (default: True)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- spline color. (default: banana)

  • cartesian (bool, optional) -- cartesian coordinate for point ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_spline_t(point=None, t_range=None, width=None, n_interp=None, closed=None, natural=None, arrow1=None, arrow2=None, tip_R=None, tip_length=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add spline (parametric).

Parameters:

  • point (str, optional) -- spline function vector in terms of t. (default: [cos(2 pi t), sin(2 pi t), t/2])

  • t_range (str, optional) -- spline t range [t0,t1,dt]. (default: [0,1,0.05])

  • width (float, optional) -- spline width. (default: 0.01)

  • n_interp (int, optional) -- spline interpolation points. (default: 500)

  • closed (bool, optional) -- closed curve ? (default: False)

  • natural (bool, optional) -- natural edge ? (default: True)

  • arrow1 (bool, optional) -- arrow (tail side) ? (default: False)

  • arrow2 (bool, optional) -- arrow (head side) ? (default: False)

  • tip_R (float, optional) -- arrow tip radius. (default: 2.0)

  • tip_length (float, optional) -- arrow tip length. (default: 0.1)

  • color (str, optional) -- splline color. (default: crimson)

  • cartesian (bool, optional) -- cartesian coordinate for point ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_stream(shape=None, vector=None, size=None, range=None, division=None, length=None, width=None, offset=None, abs_scale=None, color=None, component=None, shaft_R=None, tip_R=None, tip_length=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add stream.

Parameters:

  • shape (str, optional) -- shape polynomial on which stream put. (default: 1)

  • vector (str, optional) -- stream polynomials for [x,y,z] components. (default: [x,y,z])

  • size (float, optional) -- shape size. (default: 0.5)

  • range (list, optional) -- plot range of [th,phi]. (default: [[0,180],[0,360]])

  • division (list, optional) -- division of stream of [th,phi]. (default: [9,18])

  • length (float, optional) -- stream arrow size. (default: 0.1)

  • width (float, optional) -- stream arrow width. (default: 0.01)

  • offset (float, optional) -- stream arrow offset. (default: -0.43)

  • abs_scale (bool, optional) -- stream arrow scaled ? (default: False)

  • color (str, optional) -- stream arrow color or colormap. (default: coolwarm)

  • component (str, optional) -- use component or abs, "x/y/z/abs". (default: abs)

  • shaft_R (float, optional) -- shaft radius. (default: 1.0)

  • tip_R (float, optional) -- tip radius. (default: 2.0)

  • tip_length (float, optional) -- tip length. (default: 0.25)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if size is negative, shape is normalized.

add_text2d(caption=None, size=None, color=None, font=None, position=None, name=None)[source]#

Add text 2d.

Parameters:

  • caption (str, optional) -- caption. (default: text)

  • size (int, optional) -- caption size. (default: 8)

  • color (str, optional) -- caption color. (default: black)

  • font (str, optional) -- caption font. (default: arial)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

Note

  • if keyword is None, default value is used.

add_text3d(text=None, size=None, view=None, depth=None, offset=None, color=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add text 3d.

Parameters:

  • text (str, optional) -- text. (default: text)

  • size (float, optional) -- text size. (default: 0.3)

  • view (str, optional) -- text viewpoint. (default: [0,0,1])

  • depth (float, optional) -- text depth. (default: 0.2)

  • offset (str, optional) -- text offset. (default: [0,0,0])

  • color (str, optional) -- text color. (default: iron)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_toroid(normal=None, size=None, width=None, x_scale=None, y_scale=None, z_scale=None, ring_shape=None, tube_shape=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add toroid.

Parameters:

  • normal (str, optional) -- toroid normal vector. (default: [0,0,1])

  • size (float, optional) -- toroid size. (default: 0.5)

  • width (float, optional) -- toroid width. (default: 0.15)

  • x_scale (float, optional) -- toroid x scale. (default: 1.0)

  • y_scale (float, optional) -- toroid y scale. (default: 1.0)

  • z_scale (float, optional) -- toroid z scale. (default: 1.0)

  • ring_shape (float, optional) -- toroid ring shape. (default: 0.3)

  • tube_shape (float, optional) -- toroid tube shape. (default: 0.3)

  • color (str, optional) -- toroid color. (default: tan)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_torus(normal=None, size=None, width=None, color=None, cartesian=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add torus.

Parameters:

  • normal (str, optional) -- torus normal vector. (default: [0,0,1])

  • size (float, optional) -- torus size. (default: 0.5)

  • width (float, optional) -- torus width. (default: 0.15)

  • color (str, optional) -- torus color. (default: cantaloupe)

  • cartesian (bool, optional) -- cartesian coordinate for normal ? (default: True)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

add_vector(direction=None, length=None, width=None, offset=None, color=None, cartesian=None, shaft_R=None, tip_R=None, tip_length=None, opacity=None, position=None, cell=None, name=None, label=None, margin=None)[source]#

Add vector.

Parameters:

  • direction (str, optional) -- vector direction. (default: [0,0,1])

  • length (float, optional) -- vector length. (default: 1.0)

  • width (float, optional) -- vector width. (default: 0.02)

  • offset (float, optional) -- vector offset. (default: -0.43)

  • color (str, optional) -- vector color. (default: orange)

  • cartesian (bool, optional) -- cartesian coordinate for direction ? (default: True)

  • shaft_R (float, optional) -- shaft radius. (default: 1.0)

  • tip_R (float, optional) -- tip radius. (default: 2.0)

  • tip_length (float, optional) -- tip length. (default: 0.25)

  • opacity (float, optional) -- opacity, [0,1]. (default: 1.0)

  • position (str, optional) -- position in cell, [x,y,z]. (default: [0,0,0])

  • cell (str, optional) -- cell, [nx,ny,nz]. (default: [0,0,0])

  • name (str, optional) -- name of group. (default: untitled)

  • label (str, optional) -- label. (default: label)

  • margin (int, optional) -- label margin. (default: 3)

Note

  • if keyword is None, default value is used.

  • if length is negative, norm of direction multiplied by |length| is used.

clear_data()[source]#

Clear Data.

load(filename)[source]#

Load all info.

Parameters:

filename (str) -- full file name.

mp_add_bond(bond, width=None, color=None, color2=None, opacity=None)[source]#

MultiPie: Add equivalent bonds.

Parameters:

  • bond (str) -- representative bond.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • color2 (str, optional) -- color2.

  • opacity (float, optional) -- opacity.

mp_add_bond_definition(bond, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Create bond definition.

Parameters:

  • bond (str) -- representative bond.

  • length (float, optional) -- length.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_bond_samb(tag, width=None, p_color=None, n_color=None, z_color=None, z_width=None, a_size=None)[source]#

MultiPie: Add bond SAMB.

Parameters:

  • tag (str) -- bond SAMB, obtained by mp_bond_samb_list.

  • width (float, optional) -- relative width.

  • p_color (str, optional) -- positive SAMB color.

  • n_color (str, optional) -- negative SAMB color.

  • z_color (str, optional) -- zero SAMB color.

  • z_width (float, optional) -- zero SAMB width.

  • a_size (float, optional) -- relative arrow size.

mp_add_orbital(orbital_sb, type='Q', average=False, size=None, color=None, opacity=None)[source]#

MultiPie: Add transformed orbitals at equivalent sites or bonds.

Parameters:

  • orbital_sb (str) -- orbital, "f(r) # site_bond".

  • type (str, optional) -- type of orbital, Q/G/T/M.

  • average (bool, optional) -- average ?

  • size (float, optional) -- size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_orbital_samb(lc, size=None, color=None, opacity=None)[source]#

MultiPie: Add orbital SAMB.

Parameters:

  • lc (str) -- linear combination of orbital SAMBs, obtained by mp_orbital_samb_list.

  • size (float, optional) -- relative size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_orbital_samb_modulation(modulation_range, size=None, color=None, opacity=None)[source]#

MultiPie: Add orbital SAMB with modulation.

Parameters:

  • modulation_range (str) -- modulation and range, "[[tag, coeff, k_vector, cos/sin]] : [r1, r2, r3]".

  • size (float, optional) -- relative size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_site(site, size=None, color=None, opacity=None)[source]#

MultiPie: Add equivalent sites.

Parameters:

  • site (str) -- representative site.

  • size (float, optional) -- size.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_site_samb(tag, size=None, p_color=None, n_color=None, z_color=None, z_size=None)[source]#

MultiPie: Add site SAMB.

Parameters:

  • tag (str) -- site SAMB, obtained by mp_site_samb_list.

  • size (float, optional) -- relative size.

  • p_color (str, optional) -- positive SAMB color.

  • n_color (str, optional) -- negative SAMB color.

  • z_color (str, optional) -- zero SAMB color.

  • z_size (float, optional) -- zero SAMB size.

mp_add_vector(vector_sb, type='Q', cartesian=True, average=False, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add transformed vectors at equivalent sites or bonds.

Parameters:

  • vector_sb (str) -- vector, "v # site_bond".

  • type (str, optional) -- type of vector, Q/G/T/M.

  • cartesian (bool, optional) -- cartesian vector ?

  • average (bool, optional) -- average ?

  • length (float, optional) -- length.

  • width (float, optional) -- width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_vector_samb(lc, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add vector SAMB.

Parameters:

  • lc (str) -- linear combination of vector SAMBs, obtained by mp_vector_samb_list.

  • length (float, optional) -- relative length.

  • width (float, optional) -- relative width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_add_vector_samb_modulation(modulation_range, length=None, width=None, color=None, opacity=None)[source]#

MultiPie: Add vector SAMB with modulation.

Parameters:

  • modulation_range (str) -- modulation and range, "[[tag, coeff, k_vector, cos/sin]] : [r1, r2, r3]".

  • length (float, optional) -- relative length.

  • width (float, optional) -- relative width.

  • color (str, optional) -- color.

  • opacity (float, optional) -- opacity.

mp_bond_samb_list(bond)[source]#

MultiPie: Create bond SAMB list.

Parameters:

bond (str) -- representative bond.

Returns:

  • (list) -- list of bond SAMB, [str].

mp_orbital_samb_list(site_bond, type='Q', rank=0)[source]#

MultiPie: Create orbital SAMB.

Parameters:

  • site_bond (str) -- representative site or bond.

  • type (str, optional) -- type of orbital, Q/G/T/M.

  • rank (int or str, optional) -- rank.

Returns:

  • (dict) -- list of orbital SAMB, Dict[samb_type, [str] ].

mp_set_group(group=None, status=None)[source]#

MultiPie: Set group or group status.

Parameters:

  • group (str, optional) -- group tag [default: C1].

  • status (dict, optional) -- multipie status update dict.

mp_site_samb_list(site)[source]#

MultiPie: Create site SAMB list.

Parameters:

site (str) -- representative site.

Returns:

  • (list) -- list of site SAMB, [str].

mp_vector_samb_list(site_bond, type='Q')[source]#

MultiPie: Create vector SAMB list.

Parameters:

  • site_bond (str) -- representative site or bond.

  • type (str, optional) -- type of vector, Q/G/T/M.

Returns:

  • (dict) -- list of vector SAMB, Dict[samb_type, [str] ].

paintEvent(event)[source]#
plot_orbital_from_data(name, shape, surface=None, size=1.0, point_size=0.03, spherical_plot=False, color='coolwarm', opacity=1.0, position=None)[source]#

Plot orbital from data.

Parameters:

  • name (str) -- plot name.

  • shape (ndarray) -- (x,y,z) orbital shape.

  • surface (ndarray, optional) -- (x,y,z) orbital colormap.

  • size (float, optional) -- orbital size.

  • point_size (float, optional) -- point size.

  • spherical_plot (bool, optional) -- spherical-like plot ?

  • color (str, optional) -- orbital color or colormap.

  • opacity (float, optional) -- opacity, [0,1].

  • position (ndarray) -- position (transformed).

Note

  • if surface is None, the same one of shape is used.

  • if size is positive, max. value is equivalent to size.

  • if size is negative, abs. value is scaled by size.

  • if point_size is None, no point is shown.

  • to remove object, use remove_actor(name).

plot_stream_from_data(name, vector, shape, surface=None, size=1.0, length=0.2, width=0.01, offset=-0.43, abs_scale=False, color='coolwarm', component='abs', spherical_plot=False, shaft_R=1.0, tip_R=2.0, tip_length=0.25, opacity=1.0, position=None)[source]#

Plot stream from data (vectors in cartesian coordinate).

Parameters:

  • name (str) -- object name.

  • vector (ndarray) -- stream vector [vx(x,y,z),vy(x,y,z),vz(x,y,z)] (cartesina).

  • shape (ndarray) -- f(x,y,z) shape on which stream put (cartesian).

  • surface (ndarray, optional) -- (x,y,z) orbital colormap.

  • size (float, optional) -- shape size.

  • length (float, optional) -- stream arrow size.

  • width (float, optional) -- stream arrow width.

  • offset (float, optional) -- stream arrow offest.

  • abs_scale (bool, optional) -- stream arrow scaled ?

  • color (str, optional) -- stream arrow color or colormap.

  • component (str, optional) -- use component or abs, "x/y/z/abs".

  • spherical_plot (bool, optional) -- spherical-like plot ?

  • shaft_R (float, optional) -- shaft radius.

  • tip_R (float, optional) -- tip radius.

  • tip_length (float, optional) -- tip length.

  • opacity (float, optional) -- opacity, [0,1].

  • position (ndarray) -- position (transformed).

Note

  • if size is negative, shape is normalized.

  • to remove object, use remove_actor(name).

save(filename)[source]#

save all info.

Parameters:

filename (str) -- full file name.

save_screenshot(filename)[source]#

Save screenshot to file.

Parameters:

full_path (str) -- fullpath file name.

screen_off()[source]#

Screen off.

screen_on()[source]#

Screen on.

set_axis(axis_type=None)[source]#

Set axis widget.

Parameters:

axis_type (str, optional) -- axis type, "on/axis/full/off".

Note

  • if axis_type is None, default is used.

set_bar(mode=None)[source]#

Set scalar bar mode.

Parameters:

mode (bool, optional) -- show scalar bar ?

Note

  • if mode is None, default is used.

set_cell(mode=None)[source]#

Set unit cell.

Parameters:

mode (str, optional) -- mode "single/all/off.

Note

  • if mode is None, default is used.

set_clip(mode=None)[source]#

Set clip mode.

Parameters:

mode (bool, optional) -- clip object ?

Note

  • if mode is None, default is used.

set_crystal(crystal=None)[source]#

Set crystal.

Parameters:

crystal (str, optional) -- crystal, "triclinic/monoclinic/orthorhombic/tetragonal/trigonal/hexagonal/cubic".

Note

  • if crystal is None, default is used.

  • set unit cell.

set_grid(mode=None)[source]#

Set grid mode.

Parameters:

mode (bool, optional) -- use grid ?

Note

  • if mode is None, default is used.

set_model(name=None)[source]#

Set model name.

Parameters:

name (str, optional) -- model name.

Note

  • if name is None, default is used.

set_nonrepeat()[source]#

Transform data to non-repeat data.

set_origin(origin=None)[source]#

Set origin.

Parameters:

origin (list or str, optional) -- origin.

Note

  • if origin is None, default is used.

  • set cell.

set_parallel_projection(mode=None)[source]#

Set parallel projection mode.

Parameters:

mode (bool, optional) -- use parallel projection ?

Note

  • if mode is None, default is used.

set_range(lower=None, upper=None)[source]#

Set cell range.

Parameters:

  • lower (list or str, optional) -- lower bound, [float].

  • upper (list or str, optional) -- upper bound, [float].

Note

  • if lower/upper is None, default is used.

  • set cell.

set_repeat(mode=None)[source]#

Set repeat mode.

Parameters:

mode (bool, optional) -- repeat mode.

Note

  • if mode is None, default is used.

  • repeat data.

set_unit_cell(cell=None)[source]#

Set unit cell.

Parameters:

cell (dict, optional) -- unit cell, {a, b, c, alpha, beta, gamma}.

Note

  • if cell is None, default is used.

  • set cell.

set_view(view=None)[source]#

Set view point.

Parameters:

view (list or str, optional) -- view indices of [a1,a2,a3], [int].

Note

  • if view is None, default is used.

property A_matrix#

Get transform matrix.

Returns:

  • (numpy.ndarray) -- primitive vectors in each column (4x4).

property A_matrix_norm#

Get transform matrix (normalized).

Returns:

  • (numpy.ndarray) -- primitive vectors in each column (4x4).

property G_matrix#

Get metric matrix.

Returns:

  • (numpy.ndarray) -- metric matrix (4x4).

property a1#

Get a1 unit vector.

Returns:

  • (list) -- a1 unit vector.

property a2#

Get a2 unit vector.

Returns:

  • (list) -- a2 unit vector.

property a3#

Get a3 unit vector.

Returns:

  • (list) -- a3 unit vector.

property actor_list#

Get list of actor.

Returns:

  • (list) -- actor names, [str].

property actors#

Return the actors of the active renderer.

Note

This may include 2D actors such as Text, 3D actors such as Actor, and assemblies such as AxesAssembly. The actors may also be unwrapped VTK objects.

Returns:

Dictionary of active actors.

Return type:

dict

camera_view#
property cell_volume#

Get cell volume.

Returns:

  • (float) -- unit cell volume.

property copyright#

Copyright string.

Returns:

  • (str) -- copyright string.

data_removed#
message#
property origin#

Get origin.

Returns:

  • (list) -- origin.

staticMetaObject = PySide6.QtCore.QMetaObject("PyVistaWidget" inherits "QtInteractor": Methods:   #35 type=Signal, signature=message(QString), parameters=QString   #36 type=Signal, signature=data_removed()   #37 type=Signal, signature=camera_view(QVariantList), parameters=QVariantList )#
property window_title#

Get window title.

Returns:

  • (str) -- window title.

Contents