Module protkit.file_io.pqr_io

Implements class PQRIO to read and write protein structures in the PQR format.

#!/usr/bin/env python3
# -*- coding:utf-8 -*-
# Authors:  Fred Senekal (FS)
# Contact:  fred@silicogenesis.com
# License:  GPLv3

"""
Implements class `PQRIO` to read and write protein structures in the PQR format.
"""

from typing import List, Optional
from protkit.file_io.pdb_io import PDBIO
from protkit.structure.protein import Protein


class PQRIO:
    @staticmethod
    def load(file_path: str,
             pdb_id: Optional[str] = None) -> List[Protein]:
        """
        Loads a protein from a PQR file.

        Args:
            file_path (str): The path to the PQR file.
            pdb_id (str): The PDB ID of the protein.

        Returns:
            Protein: The protein.
        """
        return PDBIO.load(file_path, is_pqr_format=True, pdb_id=pdb_id)

    @staticmethod
    def save(protein: Protein,
             file_path: str) -> None:
        """
        Saves a protein to a PQR file.

        Args:
            protein (Protein): The protein.
            file_path (str): The path to the PQR file.

        Returns:
            None
        """
        PDBIO.save(protein, file_path, is_pqr_format=True)

Classes

class PQRIO

Expand source code

class PQRIO:
    @staticmethod
    def load(file_path: str,
             pdb_id: Optional[str] = None) -> List[Protein]:
        """
        Loads a protein from a PQR file.

        Args:
            file_path (str): The path to the PQR file.
            pdb_id (str): The PDB ID of the protein.

        Returns:
            Protein: The protein.
        """
        return PDBIO.load(file_path, is_pqr_format=True, pdb_id=pdb_id)

    @staticmethod
    def save(protein: Protein,
             file_path: str) -> None:
        """
        Saves a protein to a PQR file.

        Args:
            protein (Protein): The protein.
            file_path (str): The path to the PQR file.

        Returns:
            None
        """
        PDBIO.save(protein, file_path, is_pqr_format=True)

Static methods

def load(file_path: str, pdb_id: Optional[str] = None) ‑> List[Protein]

Loads a protein from a PQR file.

Args

file_path : str

The path to the PQR file.

pdb_id : str

The PDB ID of the protein.

Returns

Protein

The protein.

Expand source code

@staticmethod
def load(file_path: str,
         pdb_id: Optional[str] = None) -> List[Protein]:
    """
    Loads a protein from a PQR file.

    Args:
        file_path (str): The path to the PQR file.
        pdb_id (str): The PDB ID of the protein.

    Returns:
        Protein: The protein.
    """
    return PDBIO.load(file_path, is_pqr_format=True, pdb_id=pdb_id)

def save(protein: Protein, file_path: str) ‑> None

Saves a protein to a PQR file.

Args

protein : Protein

The protein.

file_path : str

The path to the PQR file.

Returns

None

Expand source code

@staticmethod
def save(protein: Protein,
         file_path: str) -> None:
    """
    Saves a protein to a PQR file.

    Args:
        protein (Protein): The protein.
        file_path (str): The path to the PQR file.

    Returns:
        None
    """
    PDBIO.save(protein, file_path, is_pqr_format=True)