add test script for multimer datamodule

tests/test_mutlimer_datamodule.py

+# Copyright 2021 AlQuraishi Laboratory
+# Dingquan Yu @ EMBL-Hamburg Kosinski group
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#      http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+from pathlib import Path
+import pickle
+import torch
+import torch.nn as nn
+import numpy as np
+import unittest
+from openfold.config import model_config
+from openfold.data.data_modules import OpenFoldDataModule
+from openfold.utils.tensor_utils import tensor_tree_map
+from tests.config import consts
+import logging
+logger = logging.getLogger(__name__)
+import os
+import io, contextlib
+from tests.data_utils import (
+    random_template_feats,
+    random_extra_msa_feats,
+    random_affines_vector, random_affines_4x4
+)
+from openfold.utils.rigid_utils import (
+    Rotation,
+    Rigid,
+)
+
+class TestPermutation(unittest.TestCase):
+    def setUp(self):
+        """
+        Set up model config
+
+        use model_1_multimer_v3 for now
+        """
+        self.config = model_config(
+        "model_1_multimer_v3", 
+        train=True, 
+        low_prec=True)
+        self.data_module = OpenFoldDataModule(
+        config=self.config.data, 
+        batch_seed=42,
+        template_mmcif_dir: str,
+        max_template_date: str,
+        val_data_dir: Optional[str] = None,
+        val_alignment_dir: Optional[str] = None,
+        
+    )
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