diff --git a/test.py b/test.py index 7a02120..877a6d0 100644 --- a/test.py +++ b/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