"""Shared Click option bundles for eOn structure-rendering CLIs."""
from __future__ import annotations
from collections.abc import Callable
from pathlib import Path
from typing import TypeVar
import click
[docs]
F = TypeVar("F", bound=Callable[..., object])
[docs]
RENDERER_CHOICES = ("ase", "xyzrender", "solvis", "ovito")
[docs]
CONFIG_HELP = (
"TOML plot config. Prefer this over long CLI flag lists for suite runs. "
"Shared style/render/surface-fit settings live under [shared]; command "
"inputs under [neb], [min], or [saddle]. Explicit CLI flags override the "
"file. Surface-fit knobs (auto_thin, max_surface_points) are TOML-only "
"(default auto_thin=false). Example:\n\n"
" [shared]\n"
' energy_unit = "eV"\n'
" dpi = 200\n"
' strip_renderer = "xyzrender"\n'
" auto_thin = false\n"
" max_surface_points = 64\n\n"
" [neb]\n"
' con_file = "neb.con"\n'
' plot_type = "landscape"\n'
' output_file = "neb.pdf"\n\n'
" [min]\n"
' job_dir = ["min_reactant"]\n'
' plot_type = "landscape"\n'
' surface_type = "grad_imq"\n'
" auto_thin = true\n"
)
[docs]
def _apply(options: list[Callable[[F], F]], func: F) -> F:
"""Apply Click decorators in source order."""
for option in reversed(options):
func = option(func)
return func
[docs]
def add_config_option(func: F) -> F:
"""Attach ``--config`` for declarative TOML plot settings."""
return click.option(
"--config",
"config",
type=click.Path(exists=True, dir_okay=False, path_type=Path),
default=None,
help=CONFIG_HELP,
)(func)
[docs]
def add_render_options(func: F) -> F:
"""Attach the shared renderer-related CLI options to a command."""
options = [
click.option(
"--strip-renderer",
type=click.Choice(list(RENDERER_CHOICES)),
default="xyzrender",
show_default=True,
help=(
"Rendering backend for structure images. "
"xyzrender/ase work with the default dispatcher setup; "
"solvis and ovito require separate heavy installs. "
"Prefer [shared] strip_renderer in --config for suites."
),
),
click.option(
"--xyzrender-config",
type=str,
default="paton",
show_default=True,
help="xyzrender preset (paton, bubble, flat, tube, wire, skeletal).",
),
click.option(
"--strip-spacing",
type=float,
default=1.5,
show_default=True,
help="Horizontal spacing between structure images.",
),
click.option(
"--strip-dividers/--no-strip-dividers",
is_flag=True,
default=False,
help="Draw vertical divider lines between structure images.",
),
click.option(
"--rotation",
type=str,
default="auto",
help=(
"Viewing rotation. 'auto' lets xyzrender auto-orient (default). "
"ASE-style string e.g. '0x,90y,0z' for manual control."
),
),
click.option(
"--perspective-tilt",
type=float,
default=0.0,
show_default=True,
help="Small off-axis tilt (degrees) to reveal occluded atoms. 5-10 is typical.",
),
]
return _apply(options, func)
