# Copyright (c) Pymatgen Development Team.
# Distributed under the terms of the MIT License.

"""
Classes and methods related to the Structure Notation Language (SNL)
"""

import datetime
import json
import re
import sys
from collections import namedtuple
from io import StringIO

from monty.json import MontyDecoder, MontyEncoder
from monty.string import remove_non_ascii

try:
    from pybtex import errors
    from pybtex.database.input import bibtex
except ImportError:
    pybtex = None
    bibtex = None

from pymatgen.core.structure import Molecule, Structure

__author__ = "Anubhav Jain, Shyue Ping Ong"
__credits__ = "Dan Gunter"


MAX_HNODE_SIZE = 64000  # maximum size (bytes) of SNL HistoryNode
MAX_DATA_SIZE = 256000  # maximum size (bytes) of SNL data field
MAX_HNODES = 100  # maximum number of HistoryNodes in SNL file
MAX_BIBTEX_CHARS = 20000  # maximum number of characters for BibTeX reference


def is_valid_bibtex(reference):
    """
    Use pybtex to validate that a reference is in proper BibTeX format

    Args:
        reference: A String reference in BibTeX format.

    Returns:
        Boolean indicating if reference is valid bibtex.
    """
    # str is necessary since pybtex seems to have an issue with unicode. The
    # filter expression removes all non-ASCII characters.
    sio = StringIO(remove_non_ascii(reference))
    parser = bibtex.Parser()
    errors.set_strict_mode(False)
    bib_data = parser.parse_stream(sio)
    return len(bib_data.entries) > 0


class HistoryNode(namedtuple("HistoryNode", ["name", "url", "description"])):
    """
    A HistoryNode represents a step in the chain of events that lead to a
    Structure. HistoryNodes leave 'breadcrumbs' so that you can trace back how
    a Structure was created. For example, a HistoryNode might represent pulling
    a Structure from an external database such as the ICSD or CSD. Or, it might
    represent the application of a code (e.g. pymatgen) to the Structure, with
    a custom description of how that code was applied (e.g. a site removal
    Transformation was applied).

    A HistoryNode contains three fields:

    .. attribute:: name

        The name of a code or resource that this Structure encountered in
        its history (String)

    .. attribute:: url

        The URL of that code/resource (String)

    .. attribute:: description

        A free-form description of how the code/resource is related to the
        Structure (dict).
    """

    def as_dict(self):
        """
        Returns: Dict
        """
        return {"name": self.name, "url": self.url, "description": self.description}

    @staticmethod
    def from_dict(h_node):
        """
        Args:
            d (dict): Dict representation

        Returns:
            HistoryNode
        """
        return HistoryNode(h_node["name"], h_node["url"], h_node["description"])

    @staticmethod
    def parse_history_node(h_node):
        """
        Parses a History Node object from either a dict or a tuple.

        Args:
            h_node: A dict with name/url/description fields or a 3-element
                tuple.

        Returns:
            History node.
        """
        if isinstance(h_node, dict):
            return HistoryNode.from_dict(h_node)

        if len(h_node) != 3:
            raise ValueError(f"Invalid History node, should be dict or (name, version, description) tuple: {h_node}")
        return HistoryNode(h_node[0], h_node[1], h_node[2])


class Author(namedtuple("Author", ["name", "email"])):
    """
    An Author contains two fields:

    .. attribute:: name

        Name of author (String)

    .. attribute:: email

        Email of author (String)
    """

    def __str__(self):
        """
        String representation of an Author
        """
        return f"{self.name} <{self.email}>"

    def as_dict(self):
        """
        Returns: MSONable dict.
        """
        return {"name": self.name, "email": self.email}

    @staticmethod
    def from_dict(d):
        """
        Args:
            d (dict): Dict representation

        Returns:
            Author
        """
        return Author(d["name"], d["email"])

    @staticmethod
    def parse_author(author):
        """
        Parses an Author object from either a String, dict, or tuple

        Args:
            author: A String formatted as "NAME <email@domain.com>",
                (name, email) tuple, or a dict with name and email keys.

        Returns:
            An Author object.
        """
        if isinstance(author, str):
            # Regex looks for whitespace, (any name), whitespace, <, (email),
            # >, whitespace
            m = re.match(r"\s*(.*?)\s*<(.*?@.*?)>\s*", author)
            if not m or m.start() != 0 or m.end() != len(author):
                raise ValueError(f"Invalid author format! {author}")
            return Author(m.groups()[0], m.groups()[1])
        if isinstance(author, dict):
            return Author.from_dict(author)
        if len(author) != 2:
            raise ValueError(f"Invalid author, should be String or (name, email) tuple: {author}")
        return Author(author[0], author[1])


class StructureNL:
    """
    The Structure Notation Language (SNL, pronounced 'snail') is container
    for a pymatgen Structure/Molecule object with some additional fields for
    enhanced provenance. It is meant to be imported/exported in a JSON file
    format with the following structure:

    - about
        - created_at
        - authors
        - projects
        - references
        - remarks
        - data
        - history
    - lattice (optional)
    - sites
    """

    def __init__(
        self,
        struct_or_mol,
        authors,
        projects=None,
        references="",
        remarks=None,
        data=None,
        history=None,
        created_at=None,
    ):
        """
        Args:
            struct_or_mol: A pymatgen.core.structure Structure/Molecule object
            authors: *List* of {"name":'', "email":''} dicts,
                *list* of Strings as 'John Doe <johndoe@gmail.com>',
                or a single String with commas separating authors
            projects: List of Strings ['Project A', 'Project B']
            references: A String in BibTeX format
            remarks: List of Strings ['Remark A', 'Remark B']
            data: A free form dict. Namespaced at the root level with an
                underscore, e.g. {"_materialsproject": <custom data>}
            history: List of dicts - [{'name':'', 'url':'', 'description':{}}]
            created_at: A datetime object
        """
        # initialize root-level structure keys
        self.structure = struct_or_mol

        # turn authors into list of Author objects
        authors = authors.split(",") if isinstance(authors, str) else authors
        self.authors = [Author.parse_author(a) for a in authors]

        # turn projects into list of Strings
        projects = projects if projects else []
        self.projects = [projects] if isinstance(projects, str) else projects

        # check that references are valid BibTeX
        if not isinstance(references, str):
            raise ValueError("Invalid format for SNL reference! Should be empty string or BibTeX string.")
        if references and not is_valid_bibtex(references):
            raise ValueError("Invalid format for SNL reference! Should be BibTeX string.")
        if len(references) > MAX_BIBTEX_CHARS:
            raise ValueError(
                "The BibTeX string must be fewer than {} chars "
                ", you have {}".format(MAX_BIBTEX_CHARS, len(references))
            )

        self.references = references

        # turn remarks into list of Strings
        remarks = remarks if remarks else []
        self.remarks = [remarks] if isinstance(remarks, str) else remarks

        # check remarks limit
        for r in self.remarks:
            if len(r) > 140:
                raise ValueError(f"The remark exceeds the maximum size of140 characters: {r}")

        # check data limit
        self.data = data if data else {}
        if not sys.getsizeof(self.data) < MAX_DATA_SIZE:
            raise ValueError(
                "The data dict exceeds the maximum size limit of"
                " {} bytes (you have {})".format(MAX_DATA_SIZE, sys.getsizeof(data))
            )

        for k, v in self.data.items():
            if not k.startswith("_"):
                raise ValueError(
                    "data must contain properly namespaced data "
                    "with keys starting with an underscore. The "
                    "key {} does not start with an underscore.",
                    format(k),
                )

        # check for valid history nodes
        history = history if history else []  # initialize null fields
        if len(history) > MAX_HNODES:
            raise ValueError(f"A maximum of {MAX_HNODES} History nodes are supported, you have {len(history)}!")
        self.history = [HistoryNode.parse_history_node(h) for h in history]
        if not all(sys.getsizeof(h) < MAX_HNODE_SIZE for h in history):
            raise ValueError(f"One or more history nodes exceeds the maximum size limit of {MAX_HNODE_SIZE} bytes")

        self.created_at = created_at if created_at else datetime.datetime.utcnow()

    def as_dict(self):
        """
        Returns: MSONable dict
        """
        d = self.structure.as_dict()
        d["@module"] = type(self).__module__
        d["@class"] = type(self).__name__
        d["about"] = {
            "authors": [a.as_dict() for a in self.authors],
            "projects": self.projects,
            "references": self.references,
            "remarks": self.remarks,
            "history": [h.as_dict() for h in self.history],
            "created_at": json.loads(json.dumps(self.created_at, cls=MontyEncoder)),
        }
        d["about"].update(json.loads(json.dumps(self.data, cls=MontyEncoder)))
        return d

    @classmethod
    def from_dict(cls, d):
        """
        Args:
            d (dict): Dict representation

        Returns:
            Class
        """
        a = d["about"]
        dec = MontyDecoder()

        created_at = dec.process_decoded(a.get("created_at"))
        data = {k: v for k, v in d["about"].items() if k.startswith("_")}
        data = dec.process_decoded(data)

        structure = Structure.from_dict(d) if "lattice" in d else Molecule.from_dict(d)
        return cls(
            structure,
            a["authors"],
            projects=a.get("projects", None),
            references=a.get("references", ""),
            remarks=a.get("remarks", None),
            data=data,
            history=a.get("history", None),
            created_at=created_at,
        )

    @classmethod
    def from_structures(
        cls,
        structures,
        authors,
        projects=None,
        references="",
        remarks=None,
        data=None,
        histories=None,
        created_at=None,
    ):
        """
        A convenience method for getting a list of StructureNL objects by
        specifying structures and metadata separately. Some of the metadata
        is applied to all of the structures for ease of use.

        Args:
            structures: A list of Structure objects
            authors: *List* of {"name":'', "email":''} dicts,
                *list* of Strings as 'John Doe <johndoe@gmail.com>',
                or a single String with commas separating authors
            projects: List of Strings ['Project A', 'Project B']. This
                applies to all structures.
            references: A String in BibTeX format. Again, this applies to all
                structures.
            remarks: List of Strings ['Remark A', 'Remark B']
            data: A list of free form dict. Namespaced at the root level
                with an underscore, e.g. {"_materialsproject":<custom data>}
                . The length of data should be the same as the list of
                structures if not None.
            histories: List of list of dicts - [[{'name':'', 'url':'',
                'description':{}}], ...] The length of histories should be the
                same as the list of structures if not None.
            created_at: A datetime object
        """
        data = [{}] * len(structures) if data is None else data
        histories = [[]] * len(structures) if histories is None else histories

        snl_list = []
        for i, struct in enumerate(structures):
            snl = StructureNL(
                struct,
                authors,
                projects=projects,
                references=references,
                remarks=remarks,
                data=data[i],
                history=histories[i],
                created_at=created_at,
            )
            snl_list.append(snl)

        return snl_list

    def __str__(self):
        return "\n".join(
            [
                f"{k}\n{getattr(self, k)}"
                for k in (
                    "structure",
                    "authors",
                    "projects",
                    "references",
                    "remarks",
                    "data",
                    "history",
                    "created_at",
                )
            ]
        )

    def __eq__(self, other):
        return all(
            map(
                lambda n: getattr(self, n) == getattr(other, n),
                (
                    "structure",
                    "authors",
                    "projects",
                    "references",
                    "remarks",
                    "data",
                    "history",
                    "created_at",
                ),
            )
        )

    def __ne__(self, other):
        return not self.__eq__(other)
