qmmd.qmcalc.visAnalysis.plotFigs ================================ .. py:module:: qmmd.qmcalc.visAnalysis.plotFigs Attributes ---------- .. autoapisummary:: qmmd.qmcalc.visAnalysis.plotFigs.parser Functions --------- .. autoapisummary:: qmmd.qmcalc.visAnalysis.plotFigs.lin_reg qmmd.qmcalc.visAnalysis.plotFigs.plot_benchmarking_bar qmmd.qmcalc.visAnalysis.plotFigs.plot_barriers_bar qmmd.qmcalc.visAnalysis.plotFigs.plot_regression_analysis qmmd.qmcalc.visAnalysis.plotFigs._plot_single_regression qmmd.qmcalc.visAnalysis.plotFigs._plot_charge_correlations Module Contents --------------- .. py:function:: lin_reg(m: float, c: float, r2: float, xlimit: Tuple[float, float], leg_loc: str, font_size: str = 'x-small') -> None Plot linear regression line and its equation/R2. :param m: Slope. :type m: float :param c: Intercept. :type c: float :param r2: R-squared value. :type r2: float :param xlimit: X-axis limits. :type xlimit: Tuple[float, float] :param leg_loc: Legend location. :type leg_loc: str :param font_size: Font size for the legend. :type font_size: str, optional .. py:function:: plot_benchmarking_bar(save_path: str = 'Benchmarking Statistical Measures.png') -> None Plot benchmarking statistical measures. :param save_path: Path to save the plot. :type save_path: str, optional .. py:function:: plot_barriers_bar(save_path: str = 'Elimination Barrier for Different Mechanisms.png') -> None Plot elimination barriers. :param save_path: Path to save the plot. :type save_path: str, optional .. py:function:: plot_regression_analysis(data_path: str = '.', combination: str = 'outputs/CombinationI') -> None Plot various regression analyses. :param data_path: Path to the data directory. :type data_path: str, optional :param combination: Combination ID. :type combination: str, optional .. py:function:: _plot_single_regression(df: pandas.DataFrame, config_dict: Dict[str, Any], x_col: str, y_col: str, x_label: str, y_label: str, save_path: str) -> None Internal helper to plot a single regression analysis. .. py:function:: _plot_charge_correlations(df: pandas.DataFrame, prop_dict: Dict[str, Any], combination: str) -> None Internal helper to plot multiple charge correlations. .. py:data:: parser