Source code for kvazar.fileman

# -*- coding: utf-8 -*-
import os
import shutil
import numpy
from core.structure import Structure

from futils import parse_acd, parse_pdb#, parse_out
from futils import save_acd#, save_pdb, save_out

class FileManagerException(Exception):
    def __init__(self, message):
        super(FileManagerException, self).__init__(message)

class FileManager(object):


    """
    It's a class for structure loading from files. Possible extensions
    of files for loading are ACD, ACC, PDB.
    Now there is only one possible extension for saving: ACD.
    Also class checks existance of direcory and makes the new one, if needed.
    Raise exception in the case of unknown extension.
    """

    def __init__(self):
        self.struct = None

    def ensure_dir(self, d):
        if not os.path.exists(d):
            os.makedirs(d)

    def delete_dir(self, d):
        if os.path.exists(d):
            shutil.rmtree(d)
        
    def set_struct(self, struct):
        self.struct = struct

    def get_struct(self):
        return self.struct

    def load(self, filename):
        _, file_ext = os.path.splitext(filename)
        file_ext = file_ext.lower()
        if file_ext == '.acd':
            self.struct = Structure(parse_acd(filename))
        elif file_ext == '.pdb':
            self.struct = Structure(parse_pdb(filename))
        elif file_ext == '.out':
            self.struct = parse_out(filename)
        else:
            raise FileManagerException("Unknown file extension .%s" % file_ext)
            
        return self.struct

    def save(self, filename):
        _, file_ext = os.path.splitext(filename)
        file_ext = file_ext.lower()
        if file_ext == '.acd':
            save_acd(self.struct, filename)
        else:
            raise FileManagerException('Unknown file extension .%s' % file_ext)