Graphs and plotting#

Isotherm plotting#

Functions for plotting and comparing isotherms.

pygaps.graphing.isotherm_graphs.plot_iso(isotherms, ax=None, x_data: str = 'pressure', y1_data: str = 'loading', y2_data: str = None, branch: str = 'all', x_range: Tuple[float, float] = (None, None), y1_range: Tuple[float, float] = (None, None), y2_range: Tuple[float, float] = (None, None), x_points: Iterable[float] = None, y1_points: Iterable[float] = None, material_basis: str = None, material_unit: str = None, loading_basis: str = None, loading_unit: str = None, pressure_mode: str = None, pressure_unit: str = None, logx: bool = False, logy1: bool = False, logy2: bool = False, color: bool | str | Iterable[str] = True, marker: bool | str | Iterable[str] = True, y1_line_style: dict = None, y2_line_style: dict = None, lgd_keys: list = None, lgd_pos: str = 'best', save_path: str = None)[source]#

Plot the isotherm(s) provided on a single graph.

Parameters:

isotherms (PointIsotherms or list of Pointisotherms) -- An isotherm or iterable of isotherms to be plotted.
ax (matplotlib axes object, default None) -- The axes object where to plot the graph if a new figure is not desired.
x_data (str) -- Key of data to plot on the x axis. Defaults to 'pressure'.
y1_data (tuple) -- Key of data to plot on the left y axis. Defaults to 'loading'.
y2_data (tuple) -- Key of data to plot on the right y axis. Defaults to None.
branch (str) -- Which branch to display, adsorption ('ads'), desorption ('des'), or both ('all').
x_range (tuple) -- Range for data on the x axis. eg: (0, 1). Is applied to each isotherm, in the unit/mode/basis requested.
y1_range (tuple) -- Range for data on the regular y axis. eg: (0, 1). Is applied to each isotherm, in the unit/mode/basis requested.
y2_range (tuple) -- Range for data on the secondary y axis. eg: (0, 1). Is applied to each isotherm, in the unit/mode/basis requested.
x_points (tuple) -- Specific points of pressure where to evaluate an isotherm. Assumes x=pressure.
y1_points (tuple) -- Specific points of loading where to evaluate an isotherm. Assumes y1=loading.
material_basis (str, optional) -- Whether the adsorption is read in terms of either 'per volume' or 'per mass'.
material_unit (str, optional) -- Unit of loading, otherwise first isotherm value is used.
loading_basis (str, optional) -- Loading basis, otherwise first isotherm value is used.
loading_unit (str, optional) -- Unit of loading, otherwise first isotherm value is used.
pressure_mode (str, optional) -- The pressure mode, either absolute pressures or relative in the form of p/p0, otherwise first isotherm value is used.
pressure_unit (str, optional) -- Unit of pressure, otherwise first isotherm value is used.
logx (bool) -- Whether the graph x axis should be logarithmic.
logy1 (bool) -- Whether the graph y1 axis should be logarithmic.
logy2 (bool) -- Whether the graph y2 axis should be logarithmic.
color (bool, int, list, optional) -- If a boolean, the option controls if the graph is coloured or grayscale. Grayscale graphs are usually preferred for publications or print media. Otherwise, give a list of matplotlib colours or a number of colours to repeat in the cycle.
marker (bool, int, list, optional) -- Whether markers should be used to denote isotherm points. If an int, it will be the number of markers used. Otherwise, give a list of matplotlib markers or a number of markers to repeat in the cycle.
y1_line_style (dict) -- A dictionary that will be passed into the matplotlib plot() function. Applicable for left axis.
y2_line_style (dict) -- A dictionary that will be passed into the matplotlib plot() function. Applicable for right axis.
lgd_keys (iterable) -- The components of the isotherm which are displayed on the legend. For example pass ['material', 'adsorbate'] to have the legend labels display only these two components. Works with any isotherm properties and with 'branch' and 'key', the isotherm branch and the y-axis key respectively. Defaults to 'material' and 'adsorbate'.
lgd_pos ([None, Matplotlib legend classifier, 'out bottom', 'out top', 'out left', out right]) -- Specify to have the legend position outside the figure (out...) or inside the plot area itself (as determined by Matplotlib). Defaults to 'best'.
save_path (str, optional) -- Whether to save the graph or not. If a path is provided, then that is where the graph will be saved.

Returns:

axes (matplotlib.axes.Axes or numpy.ndarray of them)

Characterisation plotting#

Functions for plotting calculation-specific graphs.

pygaps.graphing.calc_graphs.roq_plot(pressure: Iterable[float], roq_points: Iterable[float], minimum: int, maximum: int, p_monolayer: float, roq_monolayer: float, ax=None)[source]#

Draw a Rouquerol plot.

Parameters:

pressure (array) -- Pressure points which will make up the x axis.
roq_points (array) -- Rouquerol-transformed points which will make up the y axis.
minimum (int) -- Lower bound of the selected points.
maximum (int) -- Higher bound of the selected points.
p_monolayer (float) -- Pressure at which statistical monolayer is achieved.
rol_monolayer (float) -- Rouquerol transform of the point at which statistical monolayer is achieved.
ax (matplotlib axes object, default None) -- The axes object where to plot the graph if a new figure is not desired.

Returns: