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Commit d4b6163d authored by Geoffrey Yu's avatar Geoffrey Yu
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fixed the assertion errors in get_optimal_transform

parent e3e8a681
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tests/unifold_permutation.py
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...@@ -139,7 +139,7 @@ def multi_chain_perm_align(out, batch, labels, shuffle_times=2): ...@@ -139,7 +139,7 @@ def multi_chain_perm_align(out, batch, labels, shuffle_times=2):
anchor_residue_idx = per_asym_residue_index[int(cur_asym_id)] anchor_residue_idx = per_asym_residue_index[int(cur_asym_id)]
print(f"anchor_residue_idx:{anchor_residue_idx},anchor_gt_idx:{anchor_gt_idx}\n") print(f"anchor_residue_idx:{anchor_residue_idx},anchor_gt_idx:{anchor_gt_idx}\n")
anchor_true_pos = true_ca_poses[anchor_gt_idx][anchor_residue_idx] anchor_true_pos = true_ca_poses[anchor_gt_idx][anchor_residue_idx[:,0]] # somehow need to only use the first column in anchor_residue_idx
asym_mask = asym_mask[:,0] # somehow need to adjust the asym_mask shape asym_mask = asym_mask[:,0] # somehow need to adjust the asym_mask shape
anchor_pred_pos = pred_ca_pos[asym_mask] anchor_pred_pos = pred_ca_pos[asym_mask]
print(f"true_ca_masks:\n") print(f"true_ca_masks:\n")
......
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