"""Tests for the domain models and model plugin system.""" import pytest from core.models.sequence import mRNASequence, SequenceAnnotation from core.models.plasmid import PlasmidBackbone, AssembledPlasmid, PlasmidFeature from core.models.worklist import Worklist, WorklistItem from models.base import ScoringModel, GenerativeModel, ModelRegistry # ── mRNASequence ────────────────────────────────────────────────────────────── class TestMRNASequence: def _make_seq(self, **kwargs) -> mRNASequence: defaults = {"name": "test_seq", "source": "local"} return mRNASequence(**{**defaults, **kwargs}) def test_assembled_from_components(self): seq = self._make_seq( five_prime_utr="CCCC", cds="ATGCCC", three_prime_utr="TTTT", ) assert seq.assembled_sequence == "CCCCATGCCCTTTT" def test_assembled_from_full_mrna(self): seq = self._make_seq(full_mrna="ATGCCC") assert seq.assembled_sequence == "ATGCCC" def test_assembled_raises_when_empty(self): seq = self._make_seq() with pytest.raises(ValueError): _ = seq.assembled_sequence def test_has_components_true(self): seq = self._make_seq(cds="ATGCCC") assert seq.has_components is True def test_has_components_false(self): seq = self._make_seq(full_mrna="ATGCCC") assert seq.has_components is False def test_component_annotations(self): seq = self._make_seq(five_prime_utr="AAAA", cds="ATGCCC") anns = seq.component_annotations labels = [a.label for a in anns] assert "5'UTR" in labels assert "CDS" in labels def test_length(self): seq = self._make_seq(cds="ATGCCC") assert seq.length == 6 def test_to_dict_roundtrip(self): seq = self._make_seq(cds="ATGCCC", five_prime_utr="AAAA") d = seq.to_dict() restored = mRNASequence.from_dict(d) assert restored.name == seq.name assert restored.cds == seq.cds assert restored.five_prime_utr == seq.five_prime_utr def test_with_cds(self): seq = self._make_seq(cds="ATGCCC", five_prime_utr="AAAA") new_seq = seq.with_cds("ATGTTT") assert new_seq.cds == "ATGTTT" assert new_seq.five_prime_utr == "AAAA" assert new_seq.id != seq.id # new ID # ── PlasmidBackbone ─────────────────────────────────────────────────────────── class TestPlasmidBackbone: def test_basic(self): bb = PlasmidBackbone( name="pUC19", sequence="ATGCATGC" * 100, cloning_sites=["EcoRI", "HindIII"], ) assert bb.length == 800 assert "EcoRI" in bb.cloning_sites def test_to_dict_roundtrip(self): bb = PlasmidBackbone( name="pUC19", sequence="ATGCATGC", features=[ PlasmidFeature("lacZ", "other", 0, 8) ], ) d = bb.to_dict() restored = PlasmidBackbone.from_dict(d) assert restored.name == bb.name assert len(restored.features) == 1 # ── Worklist ────────────────────────────────────────────────────────────────── class TestWorklist: def _make_seq(self, name: str = "seq") -> mRNASequence: return mRNASequence(name=name, source="local", cds="ATGCCC") def test_add_and_count(self): wl = Worklist() wl.add(self._make_seq()) assert wl.count == 1 def test_add_many(self): wl = Worklist() seqs = [self._make_seq(f"seq_{i}") for i in range(5)] wl.add_many(seqs, origin="database_import") assert wl.count == 5 def test_remove(self): wl = Worklist() item = wl.add(self._make_seq()) assert wl.remove(item.id) is True assert wl.count == 0 def test_remove_nonexistent(self): wl = Worklist() assert wl.remove("nonexistent") is False def test_by_origin(self): wl = Worklist() wl.add(self._make_seq("s1"), origin="database_import") wl.add(self._make_seq("s2"), origin="generated") assert len(wl.by_origin("database_import")) == 1 assert len(wl.by_origin("generated")) == 1 def test_scored_filter(self): wl = Worklist() item = wl.add(self._make_seq()) item.scores["my_model"] = 0.85 assert len(wl.scored("my_model")) == 1 assert len(wl.scored("other_model")) == 0 def test_clear(self): wl = Worklist() wl.add_many([self._make_seq(f"s{i}") for i in range(3)]) wl.clear() assert wl.count == 0 def test_sequences_property(self): wl = Worklist() seq = self._make_seq("my_seq") wl.add(seq) assert seq in wl.sequences # ── ModelRegistry ───────────────────────────────────────────────────────────── class DummyScorer(ScoringModel): @property def name(self) -> str: return "dummy_scorer" def score(self, sequence, metadata=None) -> float: return len(sequence.assembled_sequence) / 1000.0 class DummyGenerator(GenerativeModel): @property def name(self) -> str: return "dummy_gen" def generate(self, constraints, n=10, seed=None): return [ mRNASequence(name=f"gen_{i}", source="local", cds="ATGCCC") for i in range(n) ] class TestModelRegistry: def _registry(self) -> ModelRegistry: r = ModelRegistry() r._register(DummyScorer(), "scoring", "local", "") r._register(DummyGenerator(), "generative", "local", "") return r def test_scoring_models_list(self): r = self._registry() assert len(r.scoring_models) == 1 assert r.scoring_models[0].model.name == "dummy_scorer" def test_generative_models_list(self): r = self._registry() assert len(r.generative_models) == 1 def test_run_scoring_returns_dataframe(self): import pandas as pd r = self._registry() seqs = [mRNASequence(name="s1", source="local", cds="ATGCCC")] df = r.run_scoring("dummy_scorer", seqs) assert isinstance(df, pd.DataFrame) assert "score" in df.columns assert df.loc[0, "score"] == pytest.approx(6 / 1000.0) def test_run_generation(self): r = self._registry() results = r.run_generation("dummy_gen", constraints={}, n=5) assert len(results) == 5 assert all(isinstance(s, mRNASequence) for s in results) def test_wrong_type_raises(self): r = self._registry() with pytest.raises(TypeError): r.run_scoring("dummy_gen", []) def test_unregister(self): r = self._registry() assert r.unregister("dummy_scorer") is True assert len(r.scoring_models) == 0 def test_unregister_nonexistent(self): r = self._registry() assert r.unregister("nonexistent") is False # ── Concrete Scoring Models ─────────────────────────────────────────────────── class TestRNAStructureMFEScorer: """Test RNAstructure MFE scorer.""" def test_scorer_basic(self): from models.rna_structure_scorer import RNAStructureMFEScorer scorer = RNAStructureMFEScorer() seq = mRNASequence( name="test_seq", source="local", five_prime_utr="GTTGCTCCTTCGGGCCTGTGGCGGCT", kozak="GCCACCATG", cds="ATGGTGAGCAAGGGCGAGGAGCTGTTCACCGGG", three_prime_utr="TGCCTGCTGCCGAGCGCCTGCGCGCGCGCGAG", poly_a="AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", ) score = scorer.score(seq) assert 0 <= score <= 100 assert isinstance(score, float) def test_scorer_metadata(self): from models.rna_structure_scorer import RNAStructureMFEScorer scorer = RNAStructureMFEScorer() assert scorer.name == "RNAstructure MFE" assert len(scorer.description) > 0 assert scorer.version == "1.0" def test_batch_scoring(self): from models.rna_structure_scorer import RNAStructureMFEScorer scorer = RNAStructureMFEScorer() sequences = [ mRNASequence(name=f"seq_{i}", source="local", cds="ATGGTGAGCAAGGGCGAGGAG" * 3) for i in range(3) ] scores = scorer.score_batch(sequences) assert len(scores) == 3 assert all(0 <= s <= 100 for s in scores) class TestmRNAStabilityScorer: """Test mRNA stability scorer.""" def test_scorer_basic(self): from models.mrna_stability_scorer import mRNAStabilityScorer scorer = mRNAStabilityScorer(organism="human") seq = mRNASequence( name="test_seq", source="local", five_prime_utr="GTTGCTCCTTCGGGCCTGTGGCGGCT", kozak="GCCACCATGG", cds="ATGGTGAGCAAGGGCGAGGAGCTGTTCACCGGGGTGGTGCCCATCCTGGTCGAGCTGGACGGCGACGTAAACGGCCACAAGTTCAGCGTGTCCGGCGAGGGCGAGGGCGATGCCACCTACGGCAAGCTGACCCTGAAG", three_prime_utr="TGCCTGCTGCCGAGCGCCTGCGCGCGCGCGAG", poly_a="AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", ) score = scorer.score(seq) assert 0 <= score <= 100 assert isinstance(score, float) assert 20 <= score <= 90 # Should get a reasonable score def test_scorer_metadata(self): from models.mrna_stability_scorer import mRNAStabilityScorer scorer = mRNAStabilityScorer() assert scorer.name == "mRNA Stability" assert "human" in scorer.description assert scorer.version == "1.0" def test_gc_content_component(self): from models.mrna_stability_scorer import mRNAStabilityScorer scorer = mRNAStabilityScorer() # Good GC content (~55% - 11G+C out of 20 nt) seq_good = mRNASequence(name="good", source="local", cds="GCGGCGGCGGCGGCGGCGGC") # 100% GC gc_score = scorer._score_gc_content(seq_good) assert gc_score is not None # 100% GC should get a lower score (too high) # Optimal GC content (55%) seq_optimal = mRNASequence(name="optimal", source="local", cds="ATGCGCATGCGCATGCGCAT") # 50% GC gc_score_optimal = scorer._score_gc_content(seq_optimal) assert gc_score_optimal is not None assert 90 <= gc_score_optimal <= 100 # Should be very good # Poor GC content (very low) seq_poor = mRNASequence(name="poor", source="local", cds="ATGAAAAAAAAAAAAAAAAATGA") gc_score_poor = scorer._score_gc_content(seq_poor) assert gc_score_poor is not None assert gc_score_poor < gc_score_optimal def test_homopolymer_component(self): from models.mrna_stability_scorer import mRNAStabilityScorer scorer = mRNAStabilityScorer() # No homopolymers seq_good = mRNASequence(name="good", source="local", cds="ATGGCGAGCAGCTGA") homopoly_score = scorer._score_homopolymers(seq_good) assert homopoly_score == 100.0 # With long homopolymer run seq_bad = mRNASequence(name="bad", source="local", cds="ATGAAAAAAAAAGCGTGA") homopoly_score_bad = scorer._score_homopolymers(seq_bad) assert homopoly_score_bad < homopoly_score def test_kozak_component(self): from models.mrna_stability_scorer import mRNAStabilityScorer scorer = mRNAStabilityScorer() # Optimal Kozak (GCCACCATGG has G at -3 and G at +4) seq_good = mRNASequence(name="good", source="local", kozak="GCCACCATGG") kozak_score = scorer._score_kozak(seq_good) assert kozak_score is not None assert kozak_score >= 70 # Should get 80 (40+40+0 for no ATG match bonus) # Poor Kozak seq_poor = mRNASequence(name="poor", source="local", kozak="ATTATG") kozak_score_poor = scorer._score_kozak(seq_poor) assert kozak_score_poor is not None assert kozak_score_poor < kozak_score