# SPDX-FileCopyrightText: 2023-present Rohit Goswami <rog32@hi.is>
#
# SPDX-License-Identifier: MIT
"""ChemGP plotting and I/O utilities (compatibility re-exports).
Parsing and plotting live in **chemparseplot**. This package re-exports them
for backward compatibility. Prefer::
from chemparseplot.plot.chemgp import plot_surface_contour
from chemparseplot.parse.chemgp_hdf5 import read_h5_points
The CLI entry point remains ``plot_gp.py`` (PEP 723, dispatched by
``rgpycrumbs.cli``).
"""
from __future__ import annotations
import warnings
warnings.warn(
"rgpycrumbs.chemgp library re-exports are deprecated; import from "
"chemparseplot.plot.chemgp / chemparseplot.parse.chemgp_hdf5 instead. "
"The plot_gp CLI under rgpycrumbs remains supported.",
DeprecationWarning,
stacklevel=2,
)
try:
from chemparseplot.parse.chemgp_hdf5 import (
read_h5_grid,
read_h5_metadata,
read_h5_path,
read_h5_points,
read_h5_table,
)
from chemparseplot.plot.chemgp import (
detect_clamp,
plot_convergence_curve,
plot_energy_profile,
plot_fps_projection,
plot_gp_progression,
plot_hyperparameter_sensitivity,
plot_nll_landscape,
plot_rff_quality,
plot_surface_contour,
plot_trust_region,
plot_variance_overlay,
save_plot,
)
except ImportError as exc: # pragma: no cover - env without plot stack
raise ImportError(
"rgpycrumbs.chemgp requires chemparseplot[plot,neb] (and pandas). "
"Prefer importing chemparseplot.plot.chemgp directly."
) from exc
# Backward-compatible aliases for old names
[docs]
plot_convergence = plot_convergence_curve
[docs]
plot_fps = plot_fps_projection
[docs]
plot_gp_quality = plot_gp_progression
[docs]
plot_nll = plot_nll_landscape
[docs]
plot_profile = plot_energy_profile
[docs]
plot_rff = plot_rff_quality
[docs]
plot_sensitivity = plot_hyperparameter_sensitivity
[docs]
plot_surface = plot_surface_contour
[docs]
plot_trust = plot_trust_region
[docs]
plot_variance = plot_variance_overlay
__all__ = [
"detect_clamp",
"plot_convergence",
"plot_convergence_curve",
"plot_energy_profile",
"plot_fps",
"plot_fps_projection",
"plot_gp_progression",
"plot_gp_quality",
"plot_hyperparameter_sensitivity",
"plot_nll",
"plot_nll_landscape",
"plot_profile",
"plot_rff",
"plot_rff_quality",
"plot_sensitivity",
"plot_surface",
"plot_surface_contour",
"plot_trust",
"plot_trust_region",
"plot_variance",
"plot_variance_overlay",
"read_h5_grid",
"read_h5_metadata",
"read_h5_path",
"read_h5_points",
"read_h5_table",
"save_plot",
]
