# Source code for macsypy.database

    #########################################################################
    # MacSyFinder - Detection of macromolecular systems in protein dataset  #
    #               using systems modelling and similarity search.          #
    # Authors: Sophie Abby, Bertrand Neron                                  #
    # Copyright (c) 2014-2023  Institut Pasteur (Paris) and CNRS.           #
    # See the COPYRIGHT file for details                                    #
    #                                                                       #
    # This file is part of MacSyFinder package.                             #
    #                                                                       #
    # MacSyFinder is free software: you can redistribute it and/or modify   #
    # it under the terms of the GNU General Public License as published by  #
    # the Free Software Foundation, either version 3 of the License, or     #
    # (at your option) any later version.                                   #
    #                                                                       #
    # MacSyFinder is distributed in the hope that it will be useful,        #
    # but WITHOUT ANY WARRANTY; without even the implied warranty of        #
    # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the          #
    # GNU General Public License for more details .                         #
    #                                                                       #
    # You should have received a copy of the GNU General Public License     #
    # along with MacSyFinder (COPYING).                                     #
    # If not, see <https://www.gnu.org/licenses/>.                          #
    #########################################################################

    """
    Module to handle sequences and their indexes
    """

    from itertools import groupby
    from collections import namedtuple
    import os.path
    import logging
    from macsypy.error import MacsypyError
    _log = logging.getLogger(__name__)

    def fasta_iter(fasta_file):
        """
        :param fasta_file: the file containing all input sequences in fasta format.
        :type fasta_file: file object
        :author: http://biostar.stackexchange.com/users/36/brentp
        :return: for a given fasta file, it returns an iterator which yields tuples
                 (string id, string comment, int sequence length)
        :rtype: iterator
        """
        # ditch the boolean (x[0]) and just keep the header or sequence since
        # we know they alternate.
        faiter = (x[1] for x in groupby(fasta_file, lambda line: line[0] == ">"))
        for header in faiter:
            # drop the ">"
            header = next(header)[1:].strip()
            header = header.split()
            _id = header[0]
            comment = ' '.join(header[1:])
            try:
                seq = ''.join(s.strip() for s in next(faiter))
            except StopIteration:
                # the sequence was not start by '>'
                # bad fasta format
                msg = f"Error during sequence '{fasta_file.name}' parsing: Check the fasta format."
                _log.critical(msg)
                raise MacsypyError(msg)
            length = len(seq)
            yield _id, comment, length

    class Indexes:
        """
        Handle the indexes for macsyfinder:

         - find the indexes required by macsyfinder to compute some scores, or build them.
        """

        _field_separator = "^^"

        def __init__(self, cfg):
            """
            The constructor retrieves the file of indexes in the case they are not present
            or the user asked for build indexes (--idx)
            Launch the indexes building.

            :param cfg: the configuration
            :type cfg: :class:`macsypy.config.Config` object
            """
            self.cfg = cfg
            self._fasta_path = cfg.sequence_db()
            self.name = os.path.basename(self._fasta_path)

        def build(self, force=False):
            """
            Build the indexes from the sequence data set in fasta format,

            :param force: If True, force the index building even
                          if the index files are present in the sequence data set folder
            :type force: boolean
            :return: the path to the index
            :rtype: str
            """
            my_indexes = self.find_my_indexes()  # check read

            ###########################
            # build indexes if needed #
            ###########################
            if my_indexes and not force:
                with open(my_indexes) as idx:
                    seq_path = next(idx).strip()
                    try:
                        first_item = next(idx).strip()
                    except StopIteration:
                        # there is only one line in file
                        first_item = None
                if seq_path.count(';') == 2:
                    # there is no path in idx, it's an old index
                    _log.warning(f"The '{my_indexes}' index file is in old format. Force index building.")
                    force = True
                elif seq_path != self._fasta_path:
                    _log.warning(f"The '{my_indexes}' index file does not point to '{self._fasta_path}'. Force building")
                    force = True
                if not force and first_item:
                    # the first line of idx is a valid path
                    if first_item.count(self._field_separator) == 0:
                        # the separator is different than the actual separator
                        _log.warning(f"The '{my_indexes}' index file is in old format. Force index building.")
                        force = True
                # if fasta file is newer than idx
                stamp_fasta = os.path.getmtime(self._fasta_path)
                stamp_idx = os.path.getmtime(my_indexes)
                if stamp_idx < stamp_fasta:
                    _log.debug("the sequence index is older than sequence file: rebuild the index.")
                    force = True

            if force or not my_indexes:
                try:
                    index_dir = self._index_dir(build=True)  # check build
                except ValueError as err:
                    msg = str(err)
                    _log.critical(msg)
                    raise IOError(msg) from None

                my_indexes = self._build_my_indexes(index_dir)
            return my_indexes

        def find_my_indexes(self):
            """
            :return: the file of macsyfinder indexes if it exists in the dataset folder, None otherwise.
            :rtype: string
            """
            index_dir = self._index_dir(build=False)
            path = os.path.join(index_dir, self.name + ".idx")
            if os.path.exists(path):
                return path

        def _index_dir(self, build=False):
            """
            search where to store(build=True) read indexes

            :param bool build: if check the index-dir permissions to write
            :return: The directory where read or write the indexes
            :rtype: str
            :raise ValueError: if the directory specify by --index-dir option does not exists
                               or if build = True index-dir is not writable
            """
            index_dir = self.cfg.index_dir()
            if index_dir:
                if not os.path.exists(index_dir):
                    raise ValueError(f"No such directory: {index_dir}")
                elif build and not os.access(index_dir, os.W_OK):
                    raise ValueError(f"The '{index_dir}' dir is not writable.")
                else:
                    return index_dir
            else:
                # we need abspath because if user provide filename not path for sequence_db
                # for instance my_seq.faste instead of ./my_seq.fasta
                # then index_dir is empty string
                # and os.access return False
                index_dir = os.path.dirname(os.path.abspath(self.cfg.sequence_db()))
                if build and not os.access(index_dir, os.W_OK):
                    raise ValueError(f"The '{index_dir}' dir is not writable. Change rights or specify --index-dir.")
                else:
                    return index_dir

        def _build_my_indexes(self, index_dir):
            """
            Build macsyfinder indexes. These indexes are stored in a file.

            The file format is the following:
             - the first line is the path of the sequence-db indexed
             - one entry per line, with each line having this format:
             - sequence id;sequence length;sequence rank

            """
            index_file = os.path.join(index_dir, self.name + ".idx")
            try:
                with open(self._fasta_path, 'r') as fasta_file:
                    with open(index_file, 'w') as my_base:
                        my_base.write(self._fasta_path + '\n')
                        f_iter = fasta_iter(fasta_file)
                        seq_nb = 0
                        for seq_id, comment, length in f_iter:
                            seq_nb += 1
                            my_base.write(f"{seq_id}{self._field_separator}{length:d}{self._field_separator}{seq_nb:d}\n")
                        my_base.flush()
            except Exception as err:
                msg = f"unable to index the sequence dataset: {self.cfg.sequence_db()} : {err}"
                _log.critical(msg, exc_info=True)
                raise MacsypyError(msg) from err
            return index_file

        def __iter__(self):
            """
            :raise MacsypyError: if the indexes are not buid
            :return: an iterator on the indexes

            To use it the index must be build.
            """
            path = self.find_my_indexes()
            if path is None:
                raise MacsypyError("Build index before to use it.")
            with open(path) as idx_file:
                # The first line of index is the path to the data
                # It is not an index
                _ = next(idx_file)
                for line in idx_file:
                    try:
                        seq_id, length, _rank = line.split(self._field_separator)
                    except Exception as err:
                        raise MacsypyError(f"fail to parse database index {path} at line: {line}."
                                           f"Try to rebuild index with --idx option or remove file."
                                           f"If error persist feel free to submit an issue at"
                                           f"https://github.com/gem-pasteur/macsyfinder/issues/new?assignees=&labels=bug&template=bug_report.md&title=%5BBUG%5D ", err) from err
                    length = int(length)
                    _rank = int(_rank)
                    yield seq_id, length, _rank

    RepliconInfo = namedtuple('RepliconInfo', ('topology', 'min', 'max', 'genes'))
    """
    handle information about a replicon

    .. py:attribute:: topology
        :noindex:

        The type of replicon topology 'linear or 'circular'

    .. py:attribute:: min
        :noindex:

        The position of the last gene of the replicon in the sequence dataset.

    .. py:attribute:: max
        :noindex:

        The position of the last gene of the replicon in the sequence dataset.

    .. py:attribute:: genes
        :noindex:

        A list of genes beloging to the replicon. Each genes is representing by a tuple (str seq_id, int length)
    """

    class RepliconDB:
        """
        Stores information (topology, min, max, [genes]) for all replicons in the sequence_db
        the Replicon object must be instantiated only for sequence_db of type 'gembase' or 'ordered_replicon'
        """

        def __init__(self, cfg):
            """
            :param cfg: The configuration object
            :type cfg: :class:`macsypy.config.Config` object

            .. note ::
                This class can be instanciated only if the db_type is 'gembase' or 'ordered_replicon'
            """
            self.cfg = cfg
            assert self.cfg.db_type() in ('gembase', 'ordered_replicon')
            self._idx = Indexes(self.cfg)
            self.topology_file = self.cfg.topology_file()
            self._DB = {}
            if self.topology_file:
                topo_dict = self._fill_topology()
            else:
                topo_dict = {}
            if self.cfg.db_type() == 'gembase':
                self._fill_gembase_min_max(topo_dict, default_topology=self.cfg.replicon_topology())
            else:
                self._ordered_replicon_name = os.path.splitext(os.path.basename(self.cfg.sequence_db()))[0]
                self._fill_ordered_min_max(self.cfg.replicon_topology())

        @property
        def ordered_replicon_name(self):
            return self._ordered_replicon_name

        def guess_if_really_gembase(self):
            """
            Count the number of replicon with only on sequence
            if this number is above a threshold may be it's not gembase. for instance the folowing sequence
            have id compliant with the gembase id syntax but it's not it only contains one replicon ('ordered replicon')

            | >1E10S0A0cP00_0010 D GTG TGA 483 2027 Valid dnaA 1545 _PA0001_NP_064721.1_ PA0001 1 483 2027
            | MSVELWQQCVDLLRDELPSQQFNTWIRPLQVEAEGDELRVYAPNRFVLDW
            | >0200S001A0c_0P1E0 D ATG TAA 2056 3159 Valid dnaN 1104 _PA0002_NP_064722.1_ PA0002 1 2056 3159
            | MHFTIQREALLKPLQLVAGVVERRQTLPVLSNVLLVVEGQQLSLTGTDLE
            | >0000310E00S0c_1PA D ATG TGA 3169 4278 Valid recF 1110 _PA0003_NP_064723.1_ PA0003 1 3169 4278
            | MSLTRVSVTAVRNLHPVTLSPSPRINILYGDNGSGKTSVLEAIHLLGLAR
            | >c_01000A0PS00014E D ATG TGA 4275 6695 Valid gyrB 2421 _PA0004_NP_064724.1_ PA0004 1 4275 6695
            | MSENNTYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNSI
            | >07700ES100A0cP01_ C ATG TGA 91521 94826 Valid icmF1 3306 _PA0077_NP_248767.1_ PA0077 1 91521 94826
            | MQSLAEVSAPDAASVAT

            :return: False if most of replicon contains only one seaquence, True otherwise
            :rtype: bool
            """
            all_len = [rep.max - rep.min for rep in self._DB.values()]
            replicon_with_one_seq = all_len.count(0)
            if replicon_with_one_seq > len(all_len) * 0.8:
                return False
            else:
                return True

        def _fill_topology(self):
            """
            Fill the internal dictionary with min and max positions for each replicon_name of the sequence_db
            """
            topo_dict = {}
            with open(self.topology_file) as topo_f:
                for line in topo_f:
                    if line.startswith('#'):
                        continue
                    replicon_name, topo = line.split(':')
                    replicon_name = replicon_name.strip()
                    topo = topo.strip().lower()
                    topo_dict[replicon_name] = topo
            return topo_dict

        def _fill_ordered_min_max(self, default_topology=None):
            """
            For the replicon_name of the ordered_replicon sequence base, fill the internal dict with RepliconInfo

            :param default_topology: the topology provided by config.replicon_topology
            :type default_topology: string
            """
            _min = 1
            _max = 0
            genes = []
            for seq_id, length, _rank in self._idx:
                genes.append((seq_id, length))
                _max += 1
            self._DB[self.ordered_replicon_name] = RepliconInfo(default_topology, _min, _max, genes)

        def _fill_gembase_min_max(self, topology, default_topology):
            """
            For each replicon_name of a gembase dataset, it fills the internal dictionary with a namedtuple RepliconInfo

            :param topology: the topologies for each replicon
                             (parsed from the file specified with the option --topology-file)
            :type topology: dict
            :param default_topology: the topology provided by the config.replicon_topology
            :type default_topology: string
            """
            def grp_replicon(entry):
                """
                in gembase the identifier of fasta sequence follows the following schema:
                <replicon-name>_<seq-name> with eventually '_' inside the <replicon_name>
                but not in the <seq-name>.
                so grp_replicon allow to group sequences belonging to the same replicon.
                """
                return "_".join(entry[0].split('_')[: -1])

            def parse_seq_id(seq_id):
                """
                parse a gemabse sequence id (.idx)
                seq_id has the following format <replicon-name>_<seq-name> with eventually '_' inside the <replicon_name>
                but not in the <seq-name>.
                """
                *replicon_name, seq_name = seq_id.split('_')
                replicon_name = "_".join(replicon_name)
                return replicon_name, seq_name

            replicons = (x[1] for x in groupby(self._idx, grp_replicon))
            for replicon in replicons:
                genes = []
                seq_id, seq_length, _min = next(replicon)

                replicon_name, seq_name = parse_seq_id(seq_id)
                genes.append((seq_name, seq_length))
                for seq_id, seq_length, rank in replicon:
                    # pass all sequence of the replicon until the last one
                    _, seq_name = parse_seq_id(seq_id)
                    genes.append((seq_name, seq_length))
                _, seq_name = parse_seq_id(seq_id)
                try:
                    _max = rank
                except UnboundLocalError:
                    # there is only one sequence for this replicon
                    _max = _min
                genes.append((seq_name, seq_length))
                if replicon_name in topology:
                    self._DB[replicon_name] = RepliconInfo(topology[replicon_name], _min, _max, genes)
                else:
                    self._DB[replicon_name] = RepliconInfo(default_topology, _min, _max, genes)

        def __contains__(self, replicon_name):
            """
            :param replicon_name: the name of the replicon
            :type replicon_name: string
            :returns: True if replicon_name is in the repliconDB, false otherwise.
            :rtype: boolean
            """
            return replicon_name in self._DB

        def __getitem__(self, replicon_name):
            """
            :param replicon_name: the name of the replicon to get information on
            :type replicon_name: string
            :returns: the RepliconInfo for the provided replicon_name
            :rtype: :class:`RepliconInfo` object
            :raise: KeyError if replicon_name is not in repliconDB
            """
            return self._DB[replicon_name]

        def get(self, replicon_name, default=None):
            """
            :param replicon_name: the name of the replicon to get informations
            :type replicon_name: string
            :param default: the value to return if the replicon_name is not in the RepliconDB
            :type default: any
            :returns: the RepliconInfo for replicon_name if replicon_name is in the repliconDB, else default.
                      If default is not given, it is set to None, so that this method never raises a KeyError.
            :rtype: :class:`RepliconInfo` object
            """
            return self._DB.get(replicon_name, default)

        def items(self):
            """
            :return: a copy of the RepliconDB as a list of (replicon_name, RepliconInfo) pairs
            """
            return list(self._DB.items())

        def iteritems(self):
            """
            :return: an iterator over the RepliconDB as a list (replicon_name, RepliconInfo) pairs
            """
            return iter(self._DB.items())

        def replicon_names(self):
            """
            :return: a copy of the RepliconDB as a list of replicon_names
            """
            return list(self._DB.keys())

        def replicon_infos(self):
            """
            :return: a copy of the RepliconDB as list of replicons info
            :rtype: RepliconInfo instance
            """
            return list(self._DB.values())