atomsmltr.utils package

The atomsmltr.utils subpackage provides several tools that are useful accross the whole module

See also

atomsmltr.utils.infostring, atomsmltr.utils.misc

class atomsmltr.utils.InfoString(title: str)

Bases: object

Generates info strings

Parameters:

title (str) – the title of the infostring object

absorb_section(info, target_section: str, new_name: str = None)

incorporates a section from another infostring object

Parameters:

• info (InfoString) – the infostring object from which we take the section

• target_section (str) – name of the section to incorporate

• new_name (str, optional) – name of the incorporated section. If None is given we use the name of the original section, by default None

add_element(name: str, value: str = None, section: str = None)

adds an element in a given section

Parameters:

• name (str) – name of the element

• value (str, optional) – value of the element, by default None

• section (str, optional) – name of the section. If None is given, the element is added to the lastly used section, by default None

add_section(name: str)

adds a new section for parameters

Parameters:

name (str) – the section name

property elements

the elements inside the infostring object

Type:

OrderedDict

generate(display_title=True)

generates a string from the infostring object

Parameters:

display_title (bool, optional) – whether to display the title, by default True

Returns:

out_str – a string with all parameters from the info string

Return type:

str

merge(info, prefix='')

merges an entire infostring

Parameters:

• info (InfoString) – infostring object to merge

• prefix (str, optional) – prefix added to the names of the sections incorporated from the merged infostring, by default “”

rm_element(name: str, section: str = None)

removes an element from a section

Parameters:

• name (str) – name of the element to remove

• section (str, optional) – name of the section. If None is given, the element is removed from the lastly used section, by default None

property title: str

titile of the infostring object

Type:

str

class atomsmltr.utils.Plottable

Bases: ABC

This class defines several methods that should be common to all objects that contain data to be plotted

Subpackages

• atomsmltr.utils.plotter package
  • Axes3D
    • Axes3D.add_collection3d()
    • Axes3D.annotate3D()
    • Axes3D.apply_aspect()
    • Axes3D.arrow3D()
    • Axes3D.autoscale()
    • Axes3D.autoscale_view()
    • Axes3D.bar()
    • Axes3D.bar3d()
    • Axes3D.can_pan()
    • Axes3D.can_zoom()
    • Axes3D.clabel()
    • Axes3D.clear()
    • Axes3D.contour()
    • Axes3D.contour3D()
    • Axes3D.contourf()
    • Axes3D.contourf3D()
    • Axes3D.convert_zunits()
    • Axes3D.disable_mouse_rotation()
    • Axes3D.drag_pan()
    • Axes3D.draw()
    • Axes3D.errorbar()
    • Axes3D.fill_between()
    • Axes3D.format_coord()
    • Axes3D.format_zdata()
    • Axes3D.get_autoscalez_on()
    • Axes3D.get_proj()
    • Axes3D.get_tightbbox()
    • Axes3D.get_w_lims()
    • Axes3D.get_xlim()
    • Axes3D.get_xlim3d()
    • Axes3D.get_ylim()
    • Axes3D.get_ylim3d()
    • Axes3D.get_zaxis()
    • Axes3D.get_zbound()
    • Axes3D.get_zgridlines()
    • Axes3D.get_zlabel()
    • Axes3D.get_zlim()
    • Axes3D.get_zlim3d()
    • Axes3D.get_zmajorticklabels()
    • Axes3D.get_zmargin()
    • Axes3D.get_zminorticklabels()
    • Axes3D.get_zscale()
    • Axes3D.get_zticklabels()
    • Axes3D.get_zticklines()
    • Axes3D.get_zticks()
    • Axes3D.grid()
    • Axes3D.invert_zaxis()
    • Axes3D.margins()
    • Axes3D.mouse_init()
    • Axes3D.plot()
    • Axes3D.plot3D()
    • Axes3D.plot_surface()
    • Axes3D.plot_trisurf()
    • Axes3D.plot_wireframe()
    • Axes3D.quiver()
    • Axes3D.quiver3D()
    • Axes3D.scatter()
    • Axes3D.scatter3D()
    • Axes3D.set()
    • Axes3D.set_aspect()
    • Axes3D.set_autoscalez_on()
    • Axes3D.set_axis_off()
    • Axes3D.set_axis_on()
    • Axes3D.set_box_aspect()
    • Axes3D.set_proj_type()
    • Axes3D.set_title()
    • Axes3D.set_xbound()
    • Axes3D.set_xlim()
    • Axes3D.set_xlim3d()
    • Axes3D.set_xscale()
    • Axes3D.set_ybound()
    • Axes3D.set_ylim()
    • Axes3D.set_ylim3d()
    • Axes3D.set_yscale()
    • Axes3D.set_zbound()
    • Axes3D.set_zlabel()
    • Axes3D.set_zlim()
    • Axes3D.set_zlim3d()
    • Axes3D.set_zmargin()
    • Axes3D.set_zscale()
    • Axes3D.set_zticklabels()
    • Axes3D.set_zticks()
    • Axes3D.shareview()
    • Axes3D.sharez()
    • Axes3D.stem()
    • Axes3D.stem3D()
    • Axes3D.text()
    • Axes3D.text2D()
    • Axes3D.text3D()
    • Axes3D.tick_params()
    • Axes3D.tricontour()
    • Axes3D.tricontourf()
    • Axes3D.update_datalim()
    • Axes3D.view_init()
    • Axes3D.voxels()
    • Axes3D.zaxis_date()
    • Axes3D.zaxis_inverted()
  • Plottable
  • Submodules
    • Plottable objects
    • Plottable
    • Annotation3D
      • Annotation3D.draw()
      • Annotation3D.set()
    • Arrow3D
      • Arrow3D.draw()
      • Arrow3D.set()

Submodules

• infostrings
• InfoString
  • InfoString.absorb_section()
  • InfoString.add_element()
  • InfoString.add_section()
  • InfoString.elements
  • InfoString.generate()
  • InfoString.merge()
  • InfoString.rm_element()
  • InfoString.title
• misc
• check_position_array()
• check_position_speed_array()
• check_positive_float()
• check_scalar_field_value_function()
• check_vector_field_value_function()
• random_word()
• wisdom