# %%
# ======================================================================================
# Copyright (©) 2014-2026 Laboratoire Catalyse et Spectrochimie (LCS), Caen, France.
# CeCILL-B FREE SOFTWARE LICENSE AGREEMENT
# See full LICENSE agreement in the root directory.
# ======================================================================================
# ruff: noqa
"""
Build synthetic concentration profiles
=====================================

This example shows two convenient ways to build simple synthetic profiles
directly with the SpectroChemPy API:

- explicit analytical expressions with top-level math aliases such as
  ``scp.exp(...)``;
- direct line-shape helpers such as ``scp.gaussian(...)`` when a built-in model
  already matches the target profile.
"""

# %%
import spectrochempy as scp

# %%
# Build profiles with analytical expressions
# -------------------------------------------
time = scp.linspace(0.0, 1.0, 200)

c1 = scp.exp(-0.5 * ((time - 0.25) / 0.10) ** 2)
c2 = 0.8 * scp.exp(-0.5 * ((time - 0.55) / 0.12) ** 2)
c3 = 0.6 * scp.exp(-0.5 * ((time - 0.82) / 0.08) ** 2)

# %%
# Assemble as columns of a concentration matrix:
profiles = scp.stack([c1, c2, c3], axis=1)
profiles.x.title = "time"
profiles.y = scp.Coord(labels=["c1", "c2", "c3"], title="species")
profiles.name = "concentrations"
profiles.title = "relative concentration"

# %%
ax = profiles.T.plot()
ax.legend()

# %%
# Use built-in Gaussian line-shape helper
# -----------------------------------------
profiles_gaussian = scp.stack(
    [
        scp.gaussian(time, ampl=1.0, pos=0.25, width=0.235, normalized=False),
        scp.gaussian(time, ampl=0.8, pos=0.55, width=0.282, normalized=False),
        scp.gaussian(time, ampl=0.6, pos=0.82, width=0.188, normalized=False),
    ],
    axis=1,
)
profiles_gaussian.x.title = "time"
profiles_gaussian.y = scp.Coord(labels=["A", "B", "C"], title="species")
profiles_gaussian.name = "concentrations_gaussian"
profiles_gaussian.title = "relative concentration"

# %%
ax = profiles_gaussian.T.plot()
ax.legend()