Source code for abipy.panels.outputs

"""Panels for interacting with output files in text format."""
from __future__ import annotations

import panel as pn
import panel.widgets as pnw
import bokeh.models.widgets as bkw

from abipy.panels.core import AbipyParameterized, Loading, mpl, ply, dfc




class AbinitOutputFilePanel(AbipyParameterized):
    """
    Panel with widgets to interact with the main Abinit output file.
    """
    def __init__(self, outfile, **params):
        super().__init__(**params)
        self.outfile = outfile



    def get_cycles_view(self, what: str) -> pn.GridBox:
        """
        Return GridBox with matplotlib plots for the GS/DFPT SCF cycles
        or None if no cycle is found.
        """
        if what == "GS_SCF":
            cycles = self.outfile.get_all_gs_scf_cycles()
        elif what == "DFPT_D2DE":
            cycles = self.outfile.get_all_d2de_scf_cycles()
        else:
            raise ValueError(f"Invalid value for what: `{what}`")

        if not cycles: return None

        num_plots, nrows, ncols = len(cycles), 1, 1
        if num_plots > 1:
            ncols = 2
            nrows = (num_plots // ncols) + (num_plots % ncols)

        box = pn.GridBox(nrows=nrows, ncols=ncols, sizing_mode='stretch_width')
        #box = pn.Column(sizing_mode="stretch_width")

        for icycle, cycle in enumerate(cycles):
            #box.append(mpl(cycle.plot(title="%s cycle #%d" % (what, icycle), **self.mpl_kwargs)))
            f = ply(cycle.plotly(title="%s cycle #%d" % (what, icycle + 1), show=False))
            box.append(f)

        return box




    def get_outfile_view(self) -> pn.Column:
        col = pn.Column(sizing_mode="stretch_width")
        ca = col.append; cext = col.extend

        filepath = self.outfile.filepath
        with open(filepath, "rt") as fh:
            text = fh.read()

        ace = pnw.Ace(value=text, language='text', readonly=True,
                      sizing_mode='stretch_width', height=1200)
                      #sizing_mode='stretch_width', width=900)
        cext([f"## Output <small>{filepath}</small>", ace, pn.layout.Divider()])

        return col




    def get_panel(self, as_dict=False, **kwargs):
        """Return tabs with widgets to interact with the Abinit output file."""
        d = {}

        d["Summary"] = self.get_summary_view_for_abiobj(self.outfile)
        #d["Output"] = self.get_outfile_view()

        df = self.outfile.get_dims_spginfo_dataframe()
        df.index.name = "Dataset"
        d["Dims"] = dfc(df, transpose=True)

        # Add tabs with plots for the GS/DFPT SCF cycles.
        for what in ("GS_SCF", "DFPT_D2DE"):
            box = self.get_cycles_view(what)
            if box is not None:
                d[f"{what} cycles"] = box

        #timer = self.get_timer()
        #timer.plot_all(**self.mpl_kwargs)

        if as_dict: return d

        return self.get_template_from_tabs(d, template=kwargs.get("template", None))






class AbinitOutputFilePanelWithFileInput(AbipyParameterized):

    info_str = """
This application allows users to analyze the Abinit main output file
"""

    def __init__(self, **params):
        super().__init__(**params)

        help_md = pn.pane.Markdown(f"""
## Description

{self.info_str}
""")

        self.main_area = pn.Column(help_md, sizing_mode="stretch_width")
        self.abifile = None

        self.file_input = pnw.FileInput(height=60, css_classes=["pnx-file-upload-area"])
        self.file_input.param.watch(self.on_file_input, "value")



    def on_file_input(self, event) -> None:

        with Loading(self.main_area):
            new_abifile = self.get_abifile_from_file_input(self.file_input)

            if self.abifile is not None:
                self.abifile.remove()

            self.abifile = new_abifile
            self.main_area.objects = [self.abifile.get_panel()]




    def get_panel(self, **kwargs):

        col = pn.Column("## Upload (or drag & drop) an *.abo* file (main ABINIT output file):",
                        self.get_fileinput_section(self.file_input),
                        sizing_mode="stretch_width")

        main = pn.Column(col, self.main_area, sizing_mode="stretch_width")

        cls, cls_kwds = self.get_abinit_template_cls_kwds()

        return cls(main=main, title="Abo Analyzer", **cls_kwds)