Coverage for biobb_io/api/canonical_fasta.py: 94%
34 statements
« prev ^ index » next coverage.py v7.10.6, created at 2025-09-04 08:31 +0000
« prev ^ index » next coverage.py v7.10.6, created at 2025-09-04 08:31 +0000
1#!/usr/bin/env python
3"""Module containing the CanonicalFasta class and the command line interface."""
5from typing import Optional
6from biobb_common.generic.biobb_object import BiobbObject
7from biobb_common.tools.file_utils import launchlogger
9from biobb_io.api.common import (
10 check_mandatory_property,
11 check_output_path,
12 download_fasta,
13 write_fasta,
14)
17class CanonicalFasta(BiobbObject):
18 """
19 | biobb_io CanonicalFasta
20 | This class is a wrapper for downloading a FASTA structure from the Protein Data Bank.
21 | Wrapper for the `Protein Data Bank <https://www.rcsb.org/>`_ and the `MMB PDB mirror <http://mmb.irbbarcelona.org/api/>`_ for downloading a single FASTA structure.
23 Args:
24 output_fasta_path (str): Path to the canonical FASTA file. File type: output. `Sample file <https://github.com/bioexcel/biobb_io/raw/master/biobb_io/test/reference/api/canonical_fasta.fasta>`_. Accepted formats: fasta (edam:format_1929).
25 properties (dic - Python dictionary object containing the tool parameters, not input/output files):
26 * **pdb_code** (*str*) - (None) RSCB PDB code.
27 * **api_id** (*str*) - ("pdbe") Identifier of the PDB REST API from which the PDB structure will be downloaded. Values: pdbe (`PDB in Europe REST API <https://www.ebi.ac.uk/pdbe/pdbe-rest-api>`_), pdb (`RCSB PDB REST API <https://data.rcsb.org/>`_), mmb (`MMB PDB mirror API <http://mmb.irbbarcelona.org/api/>`_).
28 * **remove_tmp** (*bool*) - (True) [WF property] Remove temporal files.
29 * **restart** (*bool*) - (False) [WF property] Do not execute if output files exist.
30 * **sandbox_path** (*str*) - ("./") [WF property] Parent path to the sandbox directory.
32 Examples:
33 This is a use example of how to use the building block from Python::
35 from biobb_io.api.canonical_fasta import canonical_fasta
36 prop = {
37 'pdb_code': '4i23',
38 'api_id': 'pdb'
39 }
40 canonical_fasta(output_fasta_path='/path/to/newFasta.fasta',
41 properties=prop)
43 Info:
44 * wrapped_software:
45 * name: Protein Data Bank
46 * license: Apache-2.0
47 * ontology:
48 * name: EDAM
49 * schema: http://edamontology.org/EDAM.owl
51 """
53 def __init__(self, output_fasta_path, properties=None, **kwargs) -> None:
54 properties = properties or {}
56 # Call parent class constructor
57 super().__init__(properties)
58 self.locals_var_dict = locals().copy()
60 # Input/Output files
61 self.io_dict = {"out": {"output_fasta_path": output_fasta_path}}
63 # Properties specific for BB
64 self.pdb_code = properties.get("pdb_code", None)
65 self.api_id = properties.get("api_id", "pdbe")
66 self.properties = properties
68 # Check the properties
69 self.check_properties(properties)
70 self.check_arguments()
72 def check_data_params(self, out_log, err_log):
73 """Checks all the input/output paths and parameters"""
74 self.output_fasta_path = check_output_path(
75 self.io_dict["out"]["output_fasta_path"],
76 "output_fasta_path",
77 False,
78 out_log,
79 self.__class__.__name__,
80 )
82 @launchlogger
83 def launch(self) -> int:
84 """Execute the :class:`CanonicalFasta <api.canonical_fasta.CanonicalFasta>` api.canonical_fasta.CanonicalFasta object."""
86 # check input/output paths and parameters
87 self.check_data_params(self.out_log, self.err_log)
89 # Setup Biobb
90 if self.check_restart():
91 return 0
93 check_mandatory_property(
94 self.pdb_code, "pdb_code", self.out_log, self.__class__.__name__
95 )
97 self.pdb_code = self.pdb_code.strip().lower()
99 # Downloading PDB file
100 pdb_string = download_fasta(
101 self.pdb_code, self.api_id, self.out_log, self.global_log
102 )
103 write_fasta(pdb_string, self.output_fasta_path, self.out_log, self.global_log)
105 self.check_arguments(output_files_created=True, raise_exception=False)
107 return 0
110def canonical_fasta(
111 output_fasta_path: str, properties: Optional[dict] = None, **kwargs
112) -> int:
113 """Execute the :class:`CanonicalFasta <api.canonical_fasta.CanonicalFasta>` class and
114 execute the :meth:`launch() <api.canonical_fasta.CanonicalFasta.launch>` method."""
115 return CanonicalFasta(**dict(locals())).launch()
118canonical_fasta.__doc__ = CanonicalFasta.__doc__
119main = CanonicalFasta.get_main(canonical_fasta, "This class is a wrapper for downloading a FASTA structure from the Protein Data Bank.")
121if __name__ == "__main__":
122 main()