from __future__ import annotations import json from collections.abc import Mapping, Sequence import numpy as np from .config import Config from .slurm import allocated_cpu_count def resolve_workers( workers: int, *, environ: Mapping[str, str] | None = None, cpu_count: int | None = None, ) -> int: if workers == -1: return max( 1, allocated_cpu_count(environ=environ, override=cpu_count) - 1, ) return max(1, workers) def rng_from_seed(seed: int) -> np.random.Generator: return np.random.default_rng(int(seed) % (2**32 - 1)) def time_grid(cfg: Config) -> tuple[np.ndarray, np.ndarray]: return log_time_grid(cfg.min_time, cfg.max_time, cfg.time_bins) def log_time_grid( min_time: float, max_time: float, n_bins: int, ) -> tuple[np.ndarray, np.ndarray]: edges = np.geomspace(min_time, max_time, n_bins + 1).astype(np.float64) mids = np.sqrt(edges[:-1] * edges[1:]).astype(np.float64) return edges, mids def _epoch_growth_rates(values: Sequence[float], growth_rates: Sequence[float] | None) -> np.ndarray: if growth_rates is None: return np.zeros(len(values), dtype=np.float64) rates = np.asarray(growth_rates, dtype=np.float64) if rates.shape != (len(values),): raise ValueError("growth_rates must contain one rate per demographic epoch") if not np.all(np.isfinite(rates)): raise ValueError("growth_rates must be finite") return rates def piecewise_eval( times: np.ndarray, breaks: Sequence[float], values: Sequence[float], growth_rates: Sequence[float] | None = None, ) -> np.ndarray: """Evaluate a piecewise-exponential population-size history. ``values[i]`` is the population size at the start of epoch ``i`` and ``growth_rates[i]`` follows the msprime backward-time convention: ``N(t) = values[i] * exp(-growth_rates[i] * (t - epoch_start[i]))``. Omitting ``growth_rates`` preserves the previous piecewise-constant behaviour. """ times = np.asarray(times, dtype=np.float64) values_arr = np.asarray(values, dtype=np.float64) if values_arr.ndim != 1 or values_arr.size == 0: raise ValueError("values must be a non-empty one-dimensional sequence") breaks_arr = np.asarray(breaks, dtype=np.float64) if breaks_arr.shape != (values_arr.size - 1,): raise ValueError("values must contain exactly one more item than breaks") if np.any(np.diff(breaks_arr) <= 0): raise ValueError("breaks must be strictly increasing") rates = _epoch_growth_rates(values_arr, growth_rates) epoch = np.searchsorted(breaks_arr, times, side="right") starts = np.concatenate(([0.0], breaks_arr)) elapsed = times - starts[epoch] return values_arr[epoch] * np.exp(-rates[epoch] * elapsed) def bin_average_log10_ne( edges: np.ndarray, breaks: Sequence[float], values: Sequence[float], growth_rates: Sequence[float] | None = None, ) -> np.ndarray: """Average piecewise-exponential log10 Ne over each logarithmic time bin. The bins are logarithmic, so the average is taken uniformly in log time. Breakpoints inside a bin are included explicitly, which prevents short bottlenecks from disappearing just because they miss a bin midpoint. Within a native exponential epoch, the integral is evaluated analytically rather than sampled numerically. """ edges = np.asarray(edges, dtype=np.float64) if np.any(edges <= 0) or np.any(np.diff(edges) <= 0): raise ValueError("time edges must be positive and strictly increasing") values_arr = np.asarray(values, dtype=np.float64) if values_arr.ndim != 1 or values_arr.size == 0: raise ValueError("values must be a non-empty one-dimensional sequence") rates_arr = _epoch_growth_rates(values_arr, growth_rates) if len(breaks) != values_arr.size - 1: raise ValueError("values must contain exactly one more item than breaks") pairs = sorted( (float(b), float(v), float(r)) for b, v, r in zip(breaks, values_arr[1:], rates_arr[1:]) if np.isfinite(b) and b > 0 and np.isfinite(v) ) cleaned_breaks = [b for b, _, _ in pairs] cleaned_values = np.asarray([float(values_arr[0]), *(v for _, v, _ in pairs)], dtype=np.float64) cleaned_rates = np.asarray([float(rates_arr[0]), *(r for _, _, r in pairs)], dtype=np.float64) epoch_starts = np.asarray([0.0, *cleaned_breaks], dtype=np.float64) out: list[float] = [] for left, right in zip(edges[:-1], edges[1:]): cuts = [float(left)] cuts.extend(b for b in cleaned_breaks if left < b < right) cuts.append(float(right)) total = 0.0 weight_sum = 0.0 for a, b in zip(cuts[:-1], cuts[1:]): if b <= a: continue log_width = float(np.log(b) - np.log(a)) if log_width <= 0.0: # ``b > a`` is not enough: two breaks close enough together in # relative terms make log(b) - log(a) underflow to exactly zero, # and the sub-interval then carries no weight anyway. Dense # epochs make this reachable -- a piecewise-exponential curve # with a few hundred knots hits it -- where a handful of epochs # never would. continue probe = float(np.sqrt(a * b)) epoch = int(np.searchsorted(cleaned_breaks, probe, side="right")) mean_elapsed = float((b - a) / log_width - epoch_starts[epoch]) mean_log10_ne = float( np.log10(max(cleaned_values[epoch], 1.0)) - cleaned_rates[epoch] * mean_elapsed / np.log(10.0) ) weight = float(np.log(b) - np.log(a)) total += weight * mean_log10_ne weight_sum += weight out.append(total / weight_sum if weight_sum else float("nan")) return np.asarray(out, dtype=np.float32) def loguniform(rng: np.random.Generator, lo: float, hi: float) -> float: return float(np.exp(rng.uniform(np.log(lo), np.log(hi)))) def safe_json_dumps(obj) -> str: return json.dumps(obj, ensure_ascii=False, sort_keys=True)