update test file

test.py

@@ -1,43 +1,31 @@
 from tcr_pmhc_complexes import FastaFile
 from pathlib import Path
+import glob
 
 def test_fasta_file(file_path):
     fasta_file = FastaFile(file=Path(file_path))
 
-    print(f"文件：{file_path}")
-    print(f"序列数量：{fasta_file.sequence_num}\n")
-
-    for seq in fasta_file.sequences:
-        header_info = seq.header_info
-        print(f"PDB ID: {header_info.pdb_id}")
-        print(f"Chain IDs: {', '.join(header_info.chain_ids)}")
-        print(f"Author Chain IDs: {', '.join([f'{cid} ({aid})' for cid, aid in header_info.auth_chain_ids.items()])}")
-        print(f"Description: {header_info.description}")
-        print(f"Sequence: {seq.sequence.sequence[:30]}...")  # 打印部分序列以简化输出
-        print(f"Sequence Length: {seq.sequence_length}\n")  # 新增行来打印序列长度
-
-def test_fasta_file1(file_path):
-    fasta_file = FastaFile(file=Path(file_path))
-
-    print(f"文件：{file_path}")
-    print(f"序列数量：{fasta_file.sequence_num}\n")
+    print(f"File: {file_path}")
+    print(f"Number of Sequences: {fasta_file.sequence_num}\n")
 
     for seq in fasta_file.sequences:
         header_info = seq.header_info
         print(f"PDB ID: {header_info.pdb_id if header_info.pdb_id else 'N/A'}")
         print(f"Chain IDs: {', '.join(header_info.chain_ids) if header_info.chain_ids else 'N/A'}")
         print(f"Author Chain IDs: {', '.join([f'{cid} ({aid})' for cid, aid in header_info.auth_chain_ids.items()]) if header_info.auth_chain_ids else 'N/A'}")
-        print(f"Is Polymeric: {header_info.is_polymeric}")
+        print(f"Is Polymeric: {header_info.is_polymeric if header_info.is_polymeric else 'Unknown'}")
         print(f"Description: {header_info.description}")
-        print(f"Sequence: {seq.sequence.sequence[:30]}...\n")
+        print(f"Sequence: {seq.sequence.sequence[:30]}...")
+        print(f"Sequence Length: {len(seq.sequence.sequence)}\n")
 
-# 测试三个 fasta 文件
-test_fasta_files = [
-    '/mnt/mydrive/analysis_pdb-dev/pdb_test1/runner_8gvb/8gvb.fasta',
-    '/mnt/mydrive/analysis_pdb-dev/pdb_test1/runner_8gom/8gom.fasta',
-    '/mnt/mydrive/analysis_pdb-dev/pdb_test1/runner_7n6e/7n6e.fasta',
-    '/mnt/mydrive/analysis_pdb-dev/test.fasta'
-]
+# Discover all .fasta files within directories matching the pattern
+runner_directories = glob.glob('/mnt/mydrive/analysis_pdb-dev/pdb_test1/runner_*')
+fasta_files = [file for directory in runner_directories for file in Path(directory).glob('*.fasta')]
 
-for file in test_fasta_files:
-    test_fasta_file(file)
+# Add the standard FASTA file to the list of files to be tested
+fasta_files.append(Path('/mnt/mydrive/analysis_pdb-dev/test.fasta'))
+
+# Test each FASTA file
+for file_path in fasta_files:
+    test_fasta_file(file_path)
+# test_fasta_file('/mnt/mydrive/analysis_pdb-dev/test.fasta')exit