""""Panels for HIST files."""
#import param
import panel as pn
import panel.widgets as pnw
import bokeh.models.widgets as bkw
from abipy.panels.core import AbipyParameterized, mpl, ply, depends_on_btn_click
[docs]class HistFilePanel(AbipyParameterized):
"""
Panel with widgets to interact with a |HistFile|.
"""
def __init__(self, hist, **params):
self.hist = hist
_what_list = ["abc", "angles", "energy", "volume", "pressure", "forces"]
self.what_list = pnw.CheckBoxGroup(name="Select", value=_what_list, options=_what_list, inline=False)
self.plot_relax_btn = pnw.Button(name="Plot relaxation", button_type="primary")
self.appname = pnw.Select(name="Viewer", value="ovito", options=["ovito", "mayavi", "vtk"])
self.to_unit_cell = pnw.Checkbox(name="To unit cell")
self.view_relax_btn = pnw.Button(name="View relaxation", button_type="primary")
super().__init__(**params)
[docs] @depends_on_btn_click('plot_relax_btn')
def on_plot_relax_btn(self):
"""
Plot the evolution of structural parameters (lattice lengths, angles and volume)
as well as pressure, info on forces and total energy.
"""
col = pn.Column(sizing_mode="stretch_width"); ca = col.append
for what in self.what_list.value:
#ca(f"## {what}")
ca(ply(self.hist.plotly(what, title=what, show=False)))
return col
[docs] @depends_on_btn_click('view_relax_btn')
def on_view_relax_btn(self):
return self.hist.visualize(appname=self.appname.value, to_unit_cell=self.to_unit_cell.value)
[docs] def get_panel(self, as_dict=False, **kwargs):
"""Return tabs with widgets to interact with the HIST.nc file."""
d = {}
d["Summary"] = pn.Row(bkw.PreText(text=self.hist.to_string(verbose=self.verbose),
sizing_mode="scale_both"))
d["Plot"] = pn.Row(
self.pws_col(["### Plot Options", "what_list", "plot_relax_btn", self.helpc("on_plot_relax_btn")]),
self.on_plot_relax_btn
)
if not self.has_remote_server:
# As we don't have visualizers that can work in remote server mode, this tab should not be created.
d["Visualize"] = pn.Row(
pn.Column(self.appname, self.to_unit_cell, self.view_relax_btn),
self.on_view_relax_btn
)
if as_dict: return d
return self.get_template_from_tabs(d, template=kwargs.get("template", None))