ternary_diagram package

class ternary_diagram.TernaryDiagram(materials: Tuple[str, str, str], ax: Axes | None = None, auto_latex_notation: bool = True)

Bases: object

Annotate text.

This is a wrapper of matplotlib.pyplot.annotate.

Parameters:

text (str) – Text to be displayed.
vector (1D ArrayLike, whose length is 3.) –
vector : ArrayLike | shape = (3,) It represents the ratio of each component (the sum does not have to be 1).

The vectors are specified in semi-clockwise order starting from the vertex of the triangle.
kwargs (parameter of matplotlib.pyplot.annotate, optional) – See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.annotate.html

Returns:

An annotation.

Return type:

matplotlib.text.Annotation

property ax: Axes: Axes object

colorbar(mappable, shrink: float = 0.8, format='%.1f', label: str = '', orientation: str = 'vertical', location: str = 'right', **kwargs) → Colorbar

Draw a colorbar.

This is a wrapper of matplotlib.pyplot.colorbar.

See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.colorbar.html

Parameters:

mappable (matplotlib.cm.ScalarMappable) – The object that contains the colorbar data.
shrink (float, optional) – how much to shrink the colorbar, by default 0.8
format (str, optional) – float format, by default ‘%.1f’
label (str, optional) – bar label, by default ‘’
orientation (str, optional) – bar orientation, by default ‘vertical’
location (str, optional) – location, by default ‘right’
kwargs (parameter of matplotlib.pyplot.colorbar, optional) – See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.colorbar.html

Returns:

colorbar object

Return type:

matplotlib.colorbar.Colorbar

To create a contour map.

This is a wrapper of plt.tricontour or plt.tricontourf.

See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.tricontour.html or https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.tricontourf.html

When fill is True, this is a wrapper of plt.tricontourf.
When fill is False, this is a wrapper of plt.tricontour.

Parameters:

vector (ArrayLike | shape = (n, 3)) –
2D vector whose shape is (n, 3). It represents the ratio of each component (the sum does not have to be 1).

The vectors are specified in semi-clockwise order starting from the vertex of the triangle.
z (Optional[ArrayLike], shape = (n,)) – , by default None
z_min (Optional[Number], optional) – , by default None
z_max (Optional[Number], optional) – , by default None
kwargs (parameter of matplotlib.pyplot.contour, optional) – See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.contour.html.

Returns:

A collection of contour lines.

Return type:

matplotlib.tri.tricontour.TriContourSet

property fig: Figure: Figure object

To draw a tie line.

This is a wrapper of matplotlib.pyplot.plot.

Parameters:

vector (ArrayLike | shape = (n, 3)) –
vector : ArrayLike | shape = (n, 3) 2D vector whose shape is (n, 3). It represents the ratio of each component (the sum does not have to be 1).

The vectors are specified in semi-clockwise order starting from the vertex of the triangle.
kwargs (parameter of matplotlib.pyplot.plot, optional) – See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.plot.html

Returns:

lines.

Return type:

List[matplotlib.lines.Line2D]

Plot scatter points.

This is a wrapper of matplotlib.pyplot.scatter.

Parameters:

vector (ArrayLike | shape = (n, 3)) –
vector : ArrayLike | shape = (n, 3) 2D vector whose shape is (n, 3). It represents the ratio of each component (the sum does not have to be 1).

The vectors are specified in semi-clockwise order starting from the vertex of the triangle.
z (ArrayLike, shape = (n,), optional) – , by default None
z_min (Optional[Number] , optional) – , by default None
z_max (Optional[Number], optional) – , by default None
annotations (Optional[List[str]], optional) – instance annotations, by default None if None, nothing is annotated.
flag_cbar (bool, optional) – instance colorbar or not, by default True
kwargs (parameter of matplotlib.pyplot.scatter, optional) –
For example, marker=’x’, facecolor=’blue’ etc.

See https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.scatter.html.

Returns:

A collection of scatter points.

Return type:

matplotlib.collections.PathCollection

Submodules

ternary_diagram.utils module

check 1d vector

Parameters:

vector (ArrayLike | shape = (3,)) – ratio
scale (bool, optional) – minmaxscale or not, by default True

Examples

>>> check_1d_vector([1, 2, 3], scale=False)
array([[1, 2, 3]])

>>> check_1d_vector([2, 2, 4], scale=True)
array([[0.25, 0.25, 0.5 ]])

Return type:: np.ndarray | shape = (1, 3)

check 2d vector

Parameters:

vector (ArrayLike | shape = (n, 3)) – ratio
scale (bool, optional) – minmaxscale or not, by default True

Return type:

numpy.ndarray | shape = (n, 3)

Raises:

ValueError – when shape is not (n, 3)

ternary_diagram.utils.check_ax(ax: Axes | None) → Axes

check ax

Parameters:: ax (None or Axes object) – if None, get current axes
Return type:: Axes object
Raises:: TypeError – when ax is not None or Axes object

ternary_diagram.utils.get_label(compound_name: str) → str

Convert the chemical composition to LaTeX notation.

Parameters:: compound_name (str) – A compound name, like ‘Li2O’
Returns:: Chemical composition converted to LaTeX notation.
Return type:: str

Examples

>>> get_label('Li2O')
'Li$_{2}$O'

>>> get_label('(LiLa)0.5TiO3')
'(LiLa)$_{0.5}$TiO$_{3}$'

Raises:: ValueError – when compound_name is not str.

Converted 3D proportions to 2D in order to generate a triangular diagram.

Parameters:: vector (ArrayLike | shape = (n, 3)) – ratio

Examples

>>> three2two(check_2d_vector([[2, 2, 4]]))
(array([0.625]), array([0.21650635]))

Return type:: numpy.ndarray | shape = (n, 2)