from __future__ import annotations import dataclasses import inspect import math import textwrap from typing import Any import numpy as np import pytest import simulator.noise as noise_module import simulator.sample as sample_module from simulator.config import ( DEMOGRAPHY_PROB_FIELDS, SOURCE_PROB_FIELDS, Config, validate_config, ) from simulator.noise import apply_genotype_noise, pack_haplotypes def _reference_apply_phase_switch_errors( G: np.ndarray, positions_bp: np.ndarray, rng: np.random.Generator, switch_rate_per_het: float, ) -> tuple[np.ndarray, dict]: """A deliberately plain statement of the switch model. Switches are drawn at heterozygous sites, because that is where a phasing algorithm makes a decision; the parity is then carried forward to every later site, homozygous ones included, since the two haplotypes really are exchanged there even though the swap is unobservable. """ X = np.empty_like(G, dtype=np.uint8, order="K", subok=True) np.greater(G, 0, out=X) stats = { "phase_switch_count": 0, "phase_switch_pair_count": 0, "phaseable_pair_count": int(X.shape[1] // 2), "phase_switch_heterozygous_sites": 0, } if X.shape[0] < 2 or X.shape[1] < 2 or switch_rate_per_het <= 0: return X, stats probability = float(np.clip(switch_rate_per_het, 0.0, 1.0)) for left in range(0, X.shape[1] - 1, 2): heterozygous = X[:, left] != X[:, left + 1] het_index = np.flatnonzero(heterozygous) stats["phase_switch_heterozygous_sites"] += len(het_index) if len(het_index) < 2: continue switches = rng.random(len(het_index)) < probability switches[0] = False if not switches.any(): continue parity = False flipped = np.zeros(X.shape[0], dtype=bool) cursor = 0 for site in range(X.shape[0]): if cursor < len(het_index) and het_index[cursor] == site: if switches[cursor]: parity = not parity cursor += 1 flipped[site] = parity stats["phase_switch_count"] += int(switches.sum()) stats["phase_switch_pair_count"] += 1 a = X[flipped, left].copy() X[flipped, left] = X[flipped, left + 1] X[flipped, left + 1] = a return X, stats def _reference_apply_genotype_noise( G: np.ndarray, positions_bp: np.ndarray, rng: np.random.Generator, noise: dict, ) -> tuple[np.ndarray, np.ndarray, dict]: if G.size == 0: stats = {"phase_switch_count": 0, "phase_switch_pair_count": 0, "phaseable_pair_count": 0} return G.astype(np.uint8), np.zeros(0, dtype=np.uint32), stats ge = float(noise.get("genotype_error", 0.0)) mr = float(noise.get("missing_rate", 0.0)) phase_rate = float(noise.get("phase_switch_rate_per_het", 0.0)) X, stats = _reference_apply_phase_switch_errors(G, positions_bp, rng, phase_rate) flat = X.reshape(-1) if ge > 0: flip_idx = noise_module._sample_flat_indices(rng, flat.size, ge) flat[flip_idx] = 1 - flat[flip_idx] missing_flat_idx = noise_module._sample_flat_indices(rng, flat.size, mr) if len(missing_flat_idx): flat[missing_flat_idx] = 0 return X, missing_flat_idx, stats def _reference_pack_haplotypes(G: np.ndarray, n_haplotypes: int) -> np.ndarray: if G.shape[1] != n_haplotypes: raise ValueError(f"Expected H={n_haplotypes}, got {G.shape[1]}") return np.packbits(G.astype(np.uint8), axis=1, bitorder="little") def _assert_exact(left: Any, right: Any, path: str = "value") -> None: if isinstance(left, np.ndarray) or isinstance(right, np.ndarray): assert isinstance(left, np.ndarray) and isinstance(right, np.ndarray), path assert left.shape == right.shape, path assert left.dtype == right.dtype, path assert np.array_equal(left, right, equal_nan=True), path assert left.tobytes(order="C") == right.tobytes(order="C"), path return if isinstance(left, dict) or isinstance(right, dict): assert isinstance(left, dict) and isinstance(right, dict), path assert list(left) == list(right), path for key in left: _assert_exact(left[key], right[key], f"{path}.{key}") return if isinstance(left, (list, tuple)) or isinstance(right, (list, tuple)): assert type(left) is type(right), path assert len(left) == len(right), path for index, (left_item, right_item) in enumerate(zip(left, right, strict=True)): _assert_exact(left_item, right_item, f"{path}[{index}]") return assert type(left) is type(right), path if isinstance(left, float) and math.isnan(left): assert math.isnan(right), path else: assert left == right, path @pytest.mark.parametrize( "noise", [ { "genotype_error": 0.0, "missing_rate": 0.0, "phase_switch_rate_per_het": 0.0, }, { "genotype_error": 0.25, "missing_rate": 0.20, "phase_switch_rate_per_het": 0.05, }, ], ) @pytest.mark.parametrize("seed", [7, 991, 20_241]) def test_preallocated_uint8_noise_is_byte_exact_and_preserves_rng_order( noise: dict, seed: int, ) -> None: G = np.array( [ [-1, 0, 1, 2, 3, 9], [3, 2, 1, 0, -1, -5], [0, -1, 0, 1, 9, 2], [2, 0, -5, 0, 1, 3], ], dtype=np.int32, )[:, ::-1] assert not G.flags.c_contiguous positions = np.array([0.25, 17.5, 31.25, 100.75], dtype=np.float64) reference_rng = np.random.default_rng(seed) candidate_rng = np.random.default_rng(seed) reference = _reference_apply_genotype_noise(G, positions, reference_rng, noise) candidate = apply_genotype_noise(G, positions, candidate_rng, noise) _assert_exact(reference, candidate) np.testing.assert_array_equal( reference_rng.integers(0, 2**31, size=32), candidate_rng.integers(0, 2**31, size=32), ) def test_preallocated_uint8_noise_preserves_empty_matrix_contract() -> None: G = np.empty((0, 6), dtype=np.int32) positions = np.empty(0, dtype=np.float64) noise = { "genotype_error": 0.5, "missing_rate": 0.5, "phase_switch_rate_per_het": 1.0, } reference = _reference_apply_genotype_noise( G, positions, np.random.default_rng(3), noise ) candidate = apply_genotype_noise(G, positions, np.random.default_rng(3), noise) _assert_exact(reference, candidate) def test_preallocated_uint8_noise_preserves_fortran_order_semantics() -> None: G = np.asfortranarray( [ [0, 1, 0, 1, 1, 0], [1, 0, 1, 0, 1, 1], [0, 0, 1, 1, 0, 1], [1, 1, 0, 0, 1, 0], ], dtype=np.int32, ) positions = np.array([0.0, 10.0, 25.0, 80.0], dtype=np.float64) noise = { "genotype_error": 0.25, "missing_rate": 0.20, "phase_switch_rate_per_het": 0.05, } reference_rng = np.random.default_rng(9127) candidate_rng = np.random.default_rng(9127) reference = _reference_apply_genotype_noise( G, positions, reference_rng, noise ) candidate = apply_genotype_noise(G, positions, candidate_rng, noise) _assert_exact(reference, candidate) assert reference[0].flags.f_contiguous assert candidate[0].flags.f_contiguous np.testing.assert_array_equal( reference_rng.integers(0, 2**31, size=32), candidate_rng.integers(0, 2**31, size=32), ) class _AstypeForbidden(np.ndarray): def astype(self, *args, **kwargs): raise AssertionError("uint8 pack path must not call astype") def test_pack_haplotypes_skips_astype_for_uint8_and_keeps_legacy_fallback() -> None: uint8_genotypes = np.array( [[0, 1, 1, 0, 1, 0], [1, 0, 0, 1, 1, 1]], dtype=np.uint8, ).view(_AstypeForbidden) expected_uint8 = np.packbits( np.asarray(uint8_genotypes), axis=1, bitorder="little" ) packed_uint8 = pack_haplotypes(uint8_genotypes, 6) _assert_exact(expected_uint8, packed_uint8) assert packed_uint8.dtype == np.uint8 legacy_input = np.array( [[-1, 0, 1, 2, 255, 256], [3, 4, 0, 0, 1, -2]], dtype=np.int32, ) expected_legacy = _reference_pack_haplotypes(legacy_input, 6) packed_legacy = pack_haplotypes(legacy_input, 6) _assert_exact(expected_legacy, packed_legacy) def _reference_simulate_one(): source = textwrap.dedent(inspect.getsource(sample_module.simulate_one)) replacements = [ ( "positions = np.asarray(ts.sites_position, dtype=np.float64)", "positions = np.array([site.position for site in ts.sites()], dtype=np.float64)", ), ( '"geno_packed": packed,', '"geno_packed": packed.astype(np.uint8),', ), ] for current, reference in replacements: assert source.count(current) == 1 source = source.replace(current, reference) namespace = dict(vars(sample_module)) namespace["apply_genotype_noise"] = _reference_apply_genotype_noise namespace["pack_haplotypes"] = _reference_pack_haplotypes exec(compile(source, "", "exec"), namespace) return namespace["simulate_one"] def _fixed_config(source: str, *, include_truth: bool) -> Config: cfg = Config( dataset_name="lossless-postprocessing-test", out_dir="/tmp/dlcoal-lossless-postprocessing-test-output", n_samples=1, shard_size=1, seq_len=25_000, n_haplotypes=8, time_bins=8, min_time=50.0, max_time=20_000.0, baseline_mu=1.0e-7, baseline_rec=1.0e-8, map_segments_min=4, map_segments_max=8, genotype_error_min=0.05, genotype_error_max=0.05, missing_rate_min=0.10, missing_rate_max=0.10, phase_switch_rate_per_het_min=1.0, phase_switch_rate_per_het_max=1.0, include_truth=include_truth, enable_stdpopsim=False, workers=1, ) for field in SOURCE_PROB_FIELDS: setattr(cfg, field, 0.0) source_field = { "clean_constant_map": "p_clean_constant", "custom_heterogeneous": "p_custom_hetero", }[source] setattr(cfg, source_field, 1.0) for field in DEMOGRAPHY_PROB_FIELDS: setattr(cfg, field, 0.0) setattr(cfg, "p_constant" if source == "clean_constant_map" else "p_multi_event", 1.0) validate_config(cfg) return cfg @pytest.mark.parametrize( ("source", "include_truth", "seed"), [ ("clean_constant_map", False, 73_531), ("custom_heterogeneous", True, 88_127), ], ) def test_fixed_seed_complete_sample_is_byte_exact_to_reference( source: str, include_truth: bool, seed: int, ) -> None: cfg = _fixed_config(source, include_truth=include_truth) task = (0, dataclasses.asdict(cfg), {"rec_maps": {}, "mut_maps": {}}, seed) reference = _reference_simulate_one()(task) candidate = sample_module.simulate_one(task) _assert_exact(reference, candidate, "sample") assert candidate["positions"].dtype == np.uint32 assert candidate["geno_packed"].dtype == np.uint8 assert candidate["missing_flat_idx"].dtype == np.uint32 assert len(candidate["positions"]) > 0 if source == "custom_heterogeneous": assert len(candidate["missing_flat_idx"]) > 0