plumed_bench_pp.plot¶
Functions
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Plot a histogram based on the provided data for a specified row. |
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Plots a histogram of the given data relative to the relative_to data. |
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Plot a line chart based on the provided data for a specified row. |
- plumed_bench_pp.plot.plot_histo(ax: Axes, data: list[dict] | dict[str, DataFrame], row: str, barwidth: float = 0.8, *, normalize_to_cycles: bool | str = False, colors: list | None = None, relative_to: dict[str, DataFrame] | Any = None, relative_to_row: str | None = None, titles: list[str] | None = None, equidistant_bars: bool = True, scale_y_axis: float = 1.0) list[BarContainer]¶
Plot a histogram based on the provided data for a specified row.
It can be set up to normalize the data to cycles (normalize_to_cycles) and/or relative to another row. normalize_to_cycles can be either a boolean flag or the name of the row to use as base for the cycles: This is useful when using the TOTALTIME row, that is reported as a single cycle.
It can be set up to use a custom x-axis or colors for the bars.
It can be set up to plot relative to another dataset, dividing the value of each column by that number.
- Parameters:
ax (Axes) – The matplotlib axes to plot the histogram.
data (list[dict]|dict[str,DataFrame]) – The data to be plotted.
row (str) – The row in the data to be plotted.
barwidth (float, optional) – The width of the bars in the histogram. Defaults to 0.8.
normalize_to_cycles (bool|str, optional) – Flag to normalize data to cycles, if set to a row name the cycles of that row will be used. Defaults to False.
colors (list|None, optional) – The colors for the bars in the histogram. Defaults to None.
relative_to (dict[str, DataFrame]| Any, optional) – Data for relative comparison, you can pass a dict contianing the collection of data or the address or index of the desired base in the passed data. Defaults to None.
equidistant_bars (bool, optional) – If set to false the center of the groups bars will be in the number of atoms, by default the bars are evenly spaced. Defaults to True.
scale_y_axis (float) – scale all the y axis values by this number ingnored if “relative_to is specified. Defaults to 1.0.
- Returns:
The list of plotted bars.
- Return type:
- plumed_bench_pp.plot.plot_histo_relative(ax: Axes, data: list[dict] | dict[str, DataFrame], row: str, relative_to: dict[str, DataFrame] | Any, relative_to_row: str | None = None, barwidth: float = 0.8, **kwargs) list[BarContainer]¶
Plots a histogram of the given data relative to the relative_to data.
- Parameters:
ax (matplotlib.axes.Axes) – The axes on which to plot the histogram.
data (list[dict] | dict[str, pandas.DataFrame]) – The data to plot. It can be a list of dictionaries where each dictionary contains a DataFrame indexed by the name of a kernel. Alternatively, it can be a single dictionary where the keys are the names of the kernels and the values are the corresponding DataFrames.
row (str) – The row to plot.
relative_to (dict[str, pandas.DataFrame] | Any) – The data to which the values of the current data are relative to. It can be a dictionary where the keys are the names of the kernels and the values are the corresponding DataFrames. Alternatively, it can be a string representing the name of a kernel in the data dictionary.
relative_to_row (str | None) – The row in the relative_to data to use for the reference values. If None, the row specified by row is used.
barwidth (float) – The width of the bars in the histogram.
**kwargs – Additional keyword arguments passed to plot_histo.
- Returns:
The bars plotted in the histogram.
- Return type:
list[matplotlib.container.BarContainer]
See also
plot_histo: A function that plots a histogram of the given data.
- plumed_bench_pp.plot.plot_lines(ax: Axes, data: list[dict] | dict[str, DataFrame], row: str, *, normalize_to_cycles: bool | str = False, colors: list | None = None, relative_to: dict[str, DataFrame] | Any = None, relative_to_row: str | None = None, titles: list[str] | None = None, equidistant_points: bool = False, force_x_ticks: bool = False, plotkwargs: None | dict = None, scale_y_axis: float = 1.0)¶
Plot a line chart based on the provided data for a specified row.
It can be set up to normalize the data to cycles (normalize_to_cycles) and/or relative to another row. normalize_to_cycles can be either a boolean flag or the name of the row to use as base for the cycles: This is useful when using the TOTALTIME row, that is reported as a single cycle.
It can be set up to use a custom x-axis or colors for the bars.
It can be set up to plot relative to another dataset, dividing the heigh of each point by that number.
- Parameters:
ax (Axes) – The matplotlib axes to plot the histogram.
data (list[dict]|dict[str,DataFrame]) – The data to be plotted.
row (str) – The row in the data to be plotted.
barwidth (float, optional) – The width of the bars in the histogram. Defaults to 0.8.
normalize_to_cycles (bool|str, optional) – Flag to normalize data to cycles, if set to a row name the cycles of that row will be used. Defaults to False.
colors (list|None, optional) – The colors for the bars in the histogram. Defaults to None.
relative_to (dict[str, DataFrame]| Any, optional) – Data for relative comparison, you can pass a dict contianing the collection of data or the address or index of the desired base in the passed data. Defaults to None.
equidistant_points (bool, optional) – If set to True the point on the line will be set at regular interval. Defaults to False.
force_x_ticks (bool, optional) – Forces the xaxis ticks to be the x positions of the passed data. Defaults to False.
plotkwargs (dict|None, optional) – Extra arguments to pass to the lineplot. Defaults to None.
scale_y_axis (float) – scale all the y axis values by this number ingnored if “relative_to is specified. Defaults to 1.0.
- Returns:
The list of plotted bars.
- Return type: