| from __future__ import annotations | |
| from typing import Any | |
| from staplebridge.data.schemas import BuildingBlock | |
| from staplebridge.oracles.base import BlockPriorBase | |
| def _motif_satisfied(seq: list[str], i: int, j: int, motif: dict | None) -> bool: | |
| if motif is None: | |
| return True | |
| spacings = motif.get("spacings") | |
| if spacings != "any" and spacings is not None and (j - i) not in spacings: | |
| return False | |
| if motif.get("i_aa") and seq[i] not in motif["i_aa"]: | |
| return False | |
| if motif.get("j_aa") and seq[j] not in motif["j_aa"]: | |
| return False | |
| return True | |
| class MockBlockPrior(BlockPriorBase): | |
| def score_block( | |
| self, | |
| sequence: list[str], | |
| anchor_pair: tuple[int, int] | None, | |
| block: BuildingBlock | None, | |
| context: dict[str, Any] | None = None, | |
| ) -> float: | |
| del context | |
| if block is None: | |
| return -0.3 | |
| if anchor_pair is None: | |
| return -1.0 | |
| i, j = anchor_pair | |
| score = 0.0 | |
| score += 0.5 * block.synthetic_accessibility_score | |
| score -= 0.2 * block.cost_score | |
| if _motif_satisfied(sequence, i, j, block.motif): | |
| score += 1.0 | |
| else: | |
| score -= 1.0 | |
| return score | |