sierra-research 1.3.11__py3-none-any.whl → 1.5.0__py3-none-any.whl

sierra/core/graphs/schema.py

@@ -0,0 +1,77 @@
+#
+# Copyright 2025 John Harwell, All rights reserved.
+#
+# SPDX-License Identifier: MIT
+#
+"""
+YAML schemas for graphs.
+"""
+# Core packages
+
+# 3rd party packages
+import strictyaml
+
+# Project packages
+
+
+heatmap = strictyaml.Map(
+    {
+        "src_stem": strictyaml.Str(),
+        "dest_stem": strictyaml.Str(),
+        "type": strictyaml.Str(),
+        strictyaml.Optional("col"): strictyaml.Str(),
+        strictyaml.Optional("title"): strictyaml.Str(),
+        strictyaml.Optional("zlabel"): strictyaml.Str(),
+        strictyaml.Optional("xlabel"): strictyaml.Str(),
+        strictyaml.Optional("ylabel"): strictyaml.Str(),
+        strictyaml.Optional("index"): strictyaml.Int(),
+        strictyaml.Optional("x"): strictyaml.Str(),
+        strictyaml.Optional("y"): strictyaml.Str(),
+        strictyaml.Optional("z"): strictyaml.Str(),
+        strictyaml.Optional("backend"): strictyaml.Str(),
+    }
+)
+"""
+Schema for :func:`~sierra.core.graphs.heatmap` graphs.
+"""
+
+stacked_line = strictyaml.Map(
+    {
+        "src_stem": strictyaml.Str(),
+        "dest_stem": strictyaml.Str(),
+        "type": strictyaml.Str(),
+        # Only optional for intra-exp, but there's not a simple way to mark it
+        # as such at this level.
+        strictyaml.Optional("cols"): strictyaml.Seq(strictyaml.Str()),
+        strictyaml.Optional("title"): strictyaml.Str(),
+        strictyaml.Optional("legend"): strictyaml.Seq(strictyaml.Str()),
+        strictyaml.Optional("xlabel"): strictyaml.Str(),
+        strictyaml.Optional("ylabel"): strictyaml.Str(),
+        strictyaml.Optional("points"): strictyaml.Bool(),
+        strictyaml.Optional("logy"): strictyaml.Bool(),
+        strictyaml.Optional("backend"): strictyaml.Str(),
+    }
+)
+"""
+Schema for :func:`~sierra.core.graphs.stacked_line` graphs.
+"""
+
+summary_line = strictyaml.Map(
+    {
+        "src_stem": strictyaml.Str(),
+        "dest_stem": strictyaml.Str(),
+        "col": strictyaml.Str(),
+        strictyaml.Optional("legend"): strictyaml.Seq(strictyaml.Str()),
+        strictyaml.Optional("title"): strictyaml.Str(),
+        strictyaml.Optional("type"): strictyaml.Str(),
+        strictyaml.Optional("xlabel"): strictyaml.Str(),
+        strictyaml.Optional("ylabel"): strictyaml.Str(),
+        strictyaml.Optional("points"): strictyaml.Bool(),
+        strictyaml.Optional("index"): strictyaml.Int(),
+        strictyaml.Optional("logy"): strictyaml.Bool(),
+        strictyaml.Optional("backend"): strictyaml.Str(),
+    }
+)
+"""
+Schema for :func:`~sierra.core.graphs.summary_line` graphs.
+"""

sierra/core/graphs/stacked_line.py

@@ -0,0 +1,341 @@
+# Copyright 2018 John Harwell, All rights reserved.
+#
+#  SPDX-License-Identifier: MIT
+#
+"""
+Intra-experiment line graph generation classes for stage{4,5}.
+"""
+
+# Core packages
+import typing as tp
+import logging
+import pathlib
+
+# 3rd party packages
+import pandas as pd
+import holoviews as hv
+import matplotlib.pyplot as plt
+import bokeh
+
+# Project packages
+from sierra.core import config, utils, storage, models
+from . import pathset
+
+_logger = logging.getLogger(__name__)
+
+
+def _ofile_ext(backend: str) -> tp.Optional[str]:
+    if backend == "matplotlib":
+        return config.kStaticImageType
+    elif backend == "bokeh":
+        return config.kInteractiveImageType
+
+    return None
+
+
+def generate(
+    paths: pathset.PathSet,
+    input_stem: str,
+    output_stem: str,
+    title: str,
+    medium: str,
+    backend: str,
+    xticks: tp.Optional[tp.List[float]] = None,
+    stats: str = "none",
+    xlabel: tp.Optional[str] = None,
+    ylabel: tp.Optional[str] = None,
+    points: tp.Optional[bool] = False,
+    large_text: bool = False,
+    legend: tp.Optional[tp.List[str]] = None,
+    xticklabels: tp.Optional[tp.List[str]] = None,
+    cols: tp.Optional[tp.List[str]] = None,
+    logyscale: bool = False,
+    ext: str = config.kStats["mean"].exts["mean"],
+) -> bool:
+    """Generate a line graph from a set of columns in a file.
+
+    If the necessary data file does not exist, the graph is not generated.
+
+    If the .stddev file that goes with the .mean does not exist, then no error
+    bars are plotted.
+
+    If the .model file that goes with the .mean does not exist, then no model
+    predictions are plotted.
+
+    Ideally, model predictions/stddev calculations would be in derived classes,
+    but I can't figure out a good way to easily pull that stuff out of here.
+    """
+    hv.extension(backend)
+
+    input_fpath = paths.input_root / (input_stem + ext)
+    output_fpath = paths.output_root / "SLN-{0}.{1}".format(
+        output_stem, _ofile_ext(backend)
+    )
+
+    if large_text:
+        text_size = config.kGraphs["text_size_large"]
+    else:
+        text_size = config.kGraphs["text_size_small"]
+
+    if not utils.path_exists(input_fpath):
+        _logger.debug(
+            "Not generating <batchroot>/%s: <batchroot>/%s does not exist",
+            output_fpath.relative_to(paths.batchroot),
+            input_fpath.relative_to(paths.batchroot),
+        )
+        return False
+
+    df = storage.df_read(input_fpath, medium)
+
+    # Use xticks if provided, otherwise default to using the dataframe index as
+    # the xticks.
+    dfcols = df.columns.tolist()
+    df["xticks"] = xticks if xticks is not None else df.index.to_list()
+    dataset = hv.Dataset(
+        # Make index a column so we can use it as kdim
+        data=df.reset_index(),
+        kdims=["index"],
+        vdims=cols if cols else dfcols,
+    )
+
+    assert len(df.index) == len(
+        df["xticks"]
+    ), "Length mismatch between xticks,# data points: {0} vs {1}".format(
+        len(df["xticks"]), len(df.index)
+    )
+
+    model = _read_models(paths.model_root, input_stem, medium)
+    stat_dfs = _read_stats(stats, paths.input_root, input_stem, medium)
+
+    # Plot stats if they have been computed FIRST, so they appear behind the
+    # actual data.
+    if "conf95" in stats and "stddev" in stat_dfs:
+        plot = _plot_stats_stddev(dataset, stat_dfs["stddev"])
+        plot *= _plot_selected_cols(dataset, model, legend, points, backend)
+    elif "bw" in stats and all(k in stat_dfs.keys() for k in config.kStats["bw"].exts):
+        # 2025-10-06 [JRH]: This is a limitation of hv (I think). Manually
+        # specifying bw plots around each datapoint on a graph can easily exceed
+        # the max # of things that can be in a single overlay.
+        _logger.warning("bw statistics not implemented for stacked_line graphs")
+        plot = _plot_selected_cols(dataset, model, legend, points, backend)
+    else:
+        # Plot specified columns from dataframe.
+        plot = _plot_selected_cols(dataset, model, legend, points, backend)
+
+    # Let the backend decide # of columns; can override with
+    # legend_cols=N in the future if desired.
+    plot.opts(legend_position="bottom")
+
+    # Add title
+    plot.opts(title=title)
+
+    # Add X,Y labels
+    if xlabel is not None:
+        plot.opts(xlabel=xlabel)
+
+    if ylabel is not None:
+        plot.opts(ylabel=ylabel)
+
+    # Set fontsizes
+    plot.opts(
+        fontsize={
+            "title": text_size["title"],
+            "labels": text_size["xyz_label"],
+            "ticks": text_size["tick_label"],
+            "legend": text_size["legend_label"],
+        },
+    )
+
+    if logyscale:
+        _min = min(dataset[vdim].min() for vdim in dataset.vdims)
+        _max = max(dataset[vdim].max() for vdim in dataset.vdims)
+
+        plot.opts(
+            logy=True,
+            ylim=(
+                _min * 0.9,
+                _max * 1.1,
+            ),
+        )
+
+    _save(plot, output_fpath, backend)
+    _logger.debug(
+        "Graph written to <batchroot>/%s",
+        output_fpath.relative_to(paths.batchroot),
+    )
+    return True
+
+
+def _save(plot: hv.Overlay, output_fpath: pathlib.Path, backend: str) -> None:
+    if backend == "matplotlib":
+        hv.save(
+            plot.opts(fig_inches=config.kGraphs["base_size"]),
+            output_fpath,
+            fig=config.kStaticImageType,
+            dpi=config.kGraphs["dpi"],
+        )
+        plt.close("all")
+    elif backend == "bokeh":
+        fig = hv.render(plot)
+        fig.width = int(config.kGraphs["dpi"] * config.kGraphs["base_size"])
+        fig.height = int(config.kGraphs["dpi"] * config.kGraphs["base_size"])
+        html = bokeh.embed.file_html(fig, resources=bokeh.resources.INLINE)
+        with open(output_fpath, "w") as f:
+            f.write(html)
+
+
+def _plot_selected_cols(
+    dataset: hv.Dataset,
+    model_info: models.ModelInfo,
+    legend: tp.List[str],
+    show_points: bool,
+    backend: str,
+) -> hv.NdOverlay:
+    """
+    Plot the  selected columns in a dataframe.
+    """
+    # Always plot the data
+    plot = hv.Overlay(
+        [
+            hv.Curve(
+                dataset,
+                dataset.kdims[0],
+                vdim.name,
+                label=legend[dataset.vdims.index(vdim)] if legend else "",
+            )
+            for vdim in dataset.vdims
+        ]
+    )
+    # Plot the points for each curve if configured to do so, OR if there aren't
+    # that many. If you print them and there are a lot, you essentially get
+    # really fat lines which doesn't look good.
+    plot *= hv.Overlay(
+        [
+            hv.Points((dataset[dataset.kdims[0]], dataset[v]))
+            for v in dataset.vdims
+            if len(dataset[v]) <= 50 or show_points
+        ]
+    )
+
+    if backend == "matplotlib":
+        opts = {
+            "linestyle": "--",
+        }
+    elif backend == "bokeh":
+        opts = {"line_dash": [6, 3]}
+
+    # Plot models if they have been computed
+    if model_info.dataset:
+        plot *= hv.Overlay(
+            [
+                hv.Curve(
+                    model_info.dataset,
+                    model_info.dataset.kdims[0],
+                    vdim.name,
+                    label=model_info.legend[model_info.dataset.vdims.index(vdim)],
+                ).opts(**opts)
+                for vdim in model_info.dataset.vdims
+            ]
+        )
+        # Plot the points for each curve
+        plot *= hv.Overlay(
+            [
+                hv.Points(
+                    (
+                        model_info.dataset[model_info.dataset.kdims[0]],
+                        model_info.dataset[v],
+                    )
+                )
+                for v in model_info.dataset.vdims
+                if len(model_info.dataset[v]) <= 50 or show_points
+            ]
+        )
+
+    return plot
+
+
+def _plot_stats_stddev(dataset: hv.Dataset, stddev_df: pd.DataFrame) -> hv.NdOverlay:
+    """Plot the stddev for all columns in the dataset."""
+    stddevs = pd.DataFrame()
+    for c in dataset.vdims:
+        stddevs[f"{c}_stddev_l"] = dataset[c] - 2 * stddev_df[c.name].abs()
+        stddevs[f"{c}_stddev_u"] = dataset[c] + 2 * stddev_df[c.name].abs()
+
+    # To plot area between lines, you need to add the stddev columns to the
+    # dataset
+    dataset.data = pd.concat([dataset.dframe(), stddevs], axis=1)
+
+    return hv.Overlay(
+        [
+            hv.Area(
+                dataset, vdims=[f"{vdim.name}_stddev_l", f"{vdim.name}_stddev_u"]
+            ).opts(
+                alpha=0.5,
+            )
+            for vdim in dataset.vdims
+        ]
+    )
+
+
+def _read_stats(
+    setting: str, stats_root: pathlib.Path, input_stem: str, medium: str
+) -> tp.Dict[str, pd.DataFrame]:
+    dfs = {}  # type: tp.Dict[str, pd.DataFrame]
+    settings = []
+
+    if setting == "none":
+        return dfs
+
+    if setting == "all":
+        settings = ["conf95", "bw"]
+    else:
+        settings = [setting]
+
+    if setting in settings:
+        exts = config.kStats[setting].exts
+
+        for k in exts:
+            ipath = stats_root / (input_stem + exts[k])
+            if utils.path_exists(ipath):
+                dfs[k] = storage.df_read(ipath, medium)
+            else:
+                _logger.warning("%s not found for '%s'", exts[k], input_stem)
+
+    return dfs
+
+
+# 2024/09/13 [JRH]: The union is for compatability with type checkers in
+# python {3.8,3.11}.
+def _read_models(
+    model_root: tp.Optional[pathlib.Path], input_stem: str, medium: str
+) -> models.ModelInfo:
+
+    if model_root is None:
+        return models.ModelInfo()
+
+    modelf = model_root / (input_stem + config.kModelsExt["model"])
+    legendf = model_root / (input_stem + config.kModelsExt["legend"])
+
+    if not utils.path_exists(modelf):
+        _logger.trace("Model file %s missing for graph", str(modelf))
+        return models.ModelInfo()
+
+    info = models.ModelInfo()
+    df = storage.df_read(modelf, medium)
+    cols = df.columns.tolist()
+
+    info.dataset = hv.Dataset(data=df.reset_index(), kdims=["index"], vdims=cols)
+
+    with utils.utf8open(legendf, "r") as f:
+        info.legend = f.read().splitlines()
+
+    _logger.trace(
+        "Loaded model='%s',legend='%s'",  # type: ignore
+        modelf.relative_to(model_root),
+        legendf.relative_to(model_root),
+    )
+
+    return info
+
+
+__all__ = ["generate"]