NeCast-simulations / generator /code /simulator /stdpopsim_support.py
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from __future__ import annotations
from typing import Optional
import numpy as np
from .config import (
DEMOGRAPHY_TYPE_IDS,
GENERATOR_RECIPE_IDS,
Config,
)
from .demography import summarize_demography
from .utils import bin_average_log10_ne, time_grid
class StdpopsimSimulationError(RuntimeError):
"""Raised when a requested stdpopsim anchor cannot be generated."""
def _extract_single_population_trajectory(dem) -> tuple[list[float], list[float], list[float]]:
"""Extract first-population size and growth-rate epochs from msprime.
This remains a proxy for structured models, but it exactly preserves native
exponential growth for genuinely single-population stdpopsim models.
"""
first_pop = dem.populations[0]
pop_name = first_pop.name
pop_id = getattr(first_pop, "id", 0)
current_size = float(first_pop.initial_size)
current_rate = float(first_pop.growth_rate)
previous_time = 0.0
breaks: list[float] = []
values = [current_size]
growth_rates = [current_rate]
events = sorted(getattr(dem, "events", []), key=lambda event: getattr(event, "time", 0))
for event in events:
if event.__class__.__name__ != "PopulationParametersChange":
continue
population = getattr(event, "population", None)
population_id = getattr(event, "population_id", None)
if population is not None:
applies = population in {-1, 0, pop_id, pop_name}
elif population_id is not None:
applies = population_id in {-1, 0, pop_id}
else:
applies = True
if not applies:
continue
event_time = float(event.time)
current_size *= float(np.exp(-current_rate * (event_time - previous_time)))
if getattr(event, "initial_size", None) is not None:
current_size = float(event.initial_size)
if getattr(event, "growth_rate", None) is not None:
current_rate = float(event.growth_rate)
if event_time <= 0:
values[0] = current_size
growth_rates[0] = current_rate
elif breaks and np.isclose(event_time, breaks[-1], rtol=0.0, atol=1e-12):
values[-1] = current_size
growth_rates[-1] = current_rate
else:
breaks.append(event_time)
values.append(current_size)
growth_rates.append(current_rate)
previous_time = event_time
return breaks, values, growth_rates
def validate_stdpopsim_setup(cfg: Config) -> None:
"""Fail before generation if an explicitly enabled anchor setup is unusable."""
if not cfg.enable_stdpopsim or cfg.p_stdpopsim_anchor <= 0.0:
return
try:
import stdpopsim # type: ignore
species = stdpopsim.get_species(cfg.stdpopsim_species)
model_ids = [model.strip() for model in cfg.stdpopsim_models.split(",") if model.strip()]
if model_ids:
for model_id in model_ids:
species.get_demographic_model(model_id)
elif not getattr(species, "demographic_models", None):
raise ValueError(f"species {cfg.stdpopsim_species!r} has no demographic models")
stdpopsim.get_engine("msprime")
except Exception as exc:
raise StdpopsimSimulationError(
"stdpopsim anchors are enabled but the dependency, species, models, "
f"or engine are unavailable: {exc}"
) from exc
def try_stdpopsim_sample(
rng: np.random.Generator,
cfg: Config,
) -> Optional[tuple[object, np.ndarray, dict, object]]:
if not cfg.enable_stdpopsim:
return None
try:
import stdpopsim # type: ignore
species = stdpopsim.get_species(cfg.stdpopsim_species)
model_ids = [m.strip() for m in cfg.stdpopsim_models.split(",") if m.strip()]
if not model_ids:
model_ids = [m.id for m in species.demographic_models[: min(5, len(species.demographic_models))]]
model_id = str(rng.choice(model_ids))
model = species.get_demographic_model(model_id)
contig_length = cfg.stdpopsim_contig_length if cfg.stdpopsim_contig_length > 0 else cfg.seq_len
contig = species.get_contig(
length=contig_length,
mutation_rate=cfg.baseline_mu,
recombination_rate=cfg.baseline_rec,
)
pop_id = model.populations[0].id if getattr(model, "populations", None) else "pop_0"
n_dip = max(1, cfg.n_haplotypes // 2)
try:
samples = model.get_samples(n_dip, *([0] * max(0, len(model.populations) - 1)))
except Exception:
samples = {pop_id: n_dip}
engine = stdpopsim.get_engine("msprime")
ts = engine.simulate(model, contig, samples, seed=int(rng.integers(1, 2**31 - 2)))
try:
ts = ts.trim()
except Exception:
pass
edges, _ = time_grid(cfg)
breaks: list[float] = []
values: list[float] = []
growth_rates: list[float] = []
dem = getattr(model, "model", None)
if dem is None:
raise ValueError(
f"stdpopsim model {model_id!r} exposes no msprime demography"
)
breaks, values, growth_rates = _extract_single_population_trajectory(dem)
if not values:
raise ValueError(
f"stdpopsim model {model_id!r} has no extractable population trajectory"
)
if not growth_rates:
raise ValueError(
f"stdpopsim model {model_id!r} has no extractable growth-rate trajectory"
)
y = bin_average_log10_ne(edges, breaks, values, growth_rates)
trajectory_meta = {
"source_type": "stdpopsim_anchor",
"target_quality": "heuristic_single_population",
"native_continuous_growth": any(
float(rate) != 0.0 for rate in growth_rates
),
}
meta = {
**trajectory_meta,
**summarize_demography(
edges,
breaks,
values,
growth_rates,
trajectory_meta,
generator_recipe="stdpopsim",
demography_type="stdpopsim",
),
"scenario": "stdpopsim",
"generator_recipe": "stdpopsim",
"generator_recipe_id": GENERATOR_RECIPE_IDS["stdpopsim"],
"demography_type": "stdpopsim",
"demography_type_id": DEMOGRAPHY_TYPE_IDS["stdpopsim"],
"demography_mixture_version": cfg.demography_mixture_version,
"stdpopsim_species": cfg.stdpopsim_species,
"stdpopsim_model_id": model_id,
"stdpopsim_population": pop_id,
"stdpopsim_contig_length": int(contig_length),
"target_scale": "log10_Ne",
"target_aggregation": "log_time_bin_average",
"target_time_bins": int(cfg.time_bins),
"demography_resolution_log10": float(cfg.demography_resolution_log10),
"demography_breaks": [float(x) for x in breaks],
"demography_values": [float(x) for x in values],
"demography_growth_rates": [float(x) for x in growth_rates],
"demography_function": (
"piecewise_exponential_linear_time"
if any(float(rate) != 0.0 for rate in growth_rates)
else "piecewise_constant"
),
}
return ts, y, meta, contig
except Exception as exc:
raise StdpopsimSimulationError(f"failed to generate a stdpopsim anchor: {exc}") from exc