"deploy/dynemo/api-server/go.sum" did not exist on "5ddc7f7df5ab77c4efae9fd6ca299c3040c91533"
Commit 85cd91f6 authored by Geoffrey Yu's avatar Geoffrey Yu
Browse files

revert data_utils and remove all the changes in this file

parent ab659c39
......@@ -15,53 +15,8 @@
from random import randint
import numpy as np
from scipy.spatial.transform import Rotation
import pickle,os
from tests.config import consts
import gzip
def process_label(all_atom_positions: np.ndarray, operation) -> np.ndarray:
"""
Adapted from unifold
https://github.com/dptech-corp/Uni-Fold/blob/b1c89a2cebd4e4ee4c47b4e443f92beeb9138fbb/unifold/dataset.py#L55-L61
"""
if operation == "I":
return all_atom_positions
rot, trans = operation
rot = np.array(rot).reshape(3, 3)
trans = np.array(trans).reshape(3)
return all_atom_positions @ rot.T + trans
def load_single_label(
label_id,label_dir,
symmetry_operation=None,
):
"""
Adapted from unifold
https://github.com/dptech-corp/Uni-Fold/blob/b1c89a2cebd4e4ee4c47b4e443f92beeb9138fbb/unifold/dataset.py#L101-L116
args:
label: is the dictionary of numpy arrays. created by loading the label pickle file
"""
label_path = os.path.join(label_dir,f"{label_id}.label.pkl.gz")
label = pickle.load(gzip.open(label_path,"rb"))
if symmetry_operation is not None:
label["all_atom_positions"] = process_label(
label["all_atom_positions"], symmetry_operation
)
label = {
k: v
for k, v in label.items()
if k in ["aatype", "all_atom_positions", "all_atom_mask", "resolution"]
}
return label
def load_labels(label_dir,label_ids:list):
symmetry_operations = ["I" for _ in label_ids] # for now suppose there are NO symmetry operations
all_chain_labels = [
load_single_label(l, label_dir, o)
for l, o in zip(label_ids, symmetry_operations)
]
from tests.config import consts
def random_asym_ids(n_res, split_chains=True, min_chain_len=4):
......
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