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stenczelt committed Jan 26, 2025
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4 changes: 4 additions & 0 deletions abcd/backends/atoms_http.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import json
import logging
import requests
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4 changes: 4 additions & 0 deletions abcd/backends/atoms_pymongo.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar, Tamás K. Stenczel, Gábor Csányi
# This program is distributed under the MIT License, see LICENSE.md.

import types
import logging
import numpy as np
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4 changes: 4 additions & 0 deletions abcd/database.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete
# This program is distributed under the MIT License, see LICENSE.md.

import logging
from abc import ABCMeta, abstractmethod

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4 changes: 4 additions & 0 deletions abcd/errors.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete
# This program is distributed under the MIT License, see LICENSE.md.

class ABCDError(Exception):
pass

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4 changes: 4 additions & 0 deletions abcd/frontends/commandline/commands.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar, Tamás K. Stenczel, Gábor Csányi, Elena Gelzinyte
# This program is distributed under the MIT License, see LICENSE.md.

import logging
import os

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4 changes: 4 additions & 0 deletions abcd/frontends/commandline/config.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import os
import json
import logging
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4 changes: 4 additions & 0 deletions abcd/frontends/commandline/decorators.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import logging

from abcd import ABCD
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4 changes: 4 additions & 0 deletions abcd/frontends/commandline/parser.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar, Elena Gelzinyte
# This program is distributed under the MIT License, see LICENSE.md.

import logging
from argparse import ArgumentParser
from abcd.frontends.commandline import commands
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4 changes: 4 additions & 0 deletions abcd/model.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import datetime
import getpass
import logging
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4 changes: 4 additions & 0 deletions abcd/parsers/extras.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import sys
from lark import Lark, Transformer, v_args
from lark.exceptions import LarkError
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4 changes: 4 additions & 0 deletions abcd/parsers/queries.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import logging
from lark import Lark, Transformer, v_args
from lark.exceptions import LarkError
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4 changes: 4 additions & 0 deletions abcd/parsers/queries_new.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import logging
from lark import Lark, Transformer, v_args
from lark.lexer import Token
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4 changes: 4 additions & 0 deletions abcd/queryset.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete
# This program is distributed under the MIT License, see LICENSE.md.

import logging
from abc import ABCMeta

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4 changes: 4 additions & 0 deletions abcd/server/app/db.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete
# This program is distributed under the MIT License, see LICENSE.md.

from abcd import ABCD


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4 changes: 4 additions & 0 deletions abcd/server/app/nav.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from flask_nav import Nav
from flask_nav.elements import Navbar, View, Separator, Subgroup, Link
from hashlib import sha1
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4 changes: 4 additions & 0 deletions abcd/server/app/views/api.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from flask import Blueprint, Response, make_response, jsonify, request

bp = Blueprint("api", __name__)
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4 changes: 4 additions & 0 deletions abcd/server/app/views/database.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from flask import Blueprint, render_template, request
from flask import Response

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4 changes: 4 additions & 0 deletions abcd/server/app/views/index.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from flask import Blueprint, render_template, url_for

# from flask import Blueprint, render_template, flash, redirect, url_for, request
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4 changes: 4 additions & 0 deletions tests/test_abstract_model.py
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# Copyright (c) 2025.
# Authors: Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import io

import ase
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4 changes: 4 additions & 0 deletions tests/test_database.py
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# Copyright (c) 2025.
# Authors: Elliott Kasoar, Tamás K. Stenczel
# This program is distributed under the MIT License, see LICENSE.md.

import pytest
import mongomock

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4 changes: 4 additions & 0 deletions tests/test_mongodb_srv.py
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# Copyright (c) 2025.
# Authors: Tamás K. Stenczel
# This program is distributed under the MIT License, see LICENSE.md.

"""Tests for supporting `mongodb+srv://` URIs"""

from pytest import fixture
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4 changes: 4 additions & 0 deletions tests/test_parsers.py
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# Copyright (c) 2025.
# Authors: Elliott Kasoar, Tamás K. Stenczel
# This program is distributed under the MIT License, see LICENSE.md.

import pytest
from abcd.parsers.extras import parser as extras_parser
from abcd.parsers.queries import parser as queries_parser
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4 changes: 4 additions & 0 deletions tutorials/gb_upload.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import sys
from pathlib import Path

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4 changes: 4 additions & 0 deletions tutorials/scripts/Preprocess.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from pathlib import Path
from pprint import pprint
import json
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4 changes: 4 additions & 0 deletions tutorials/scripts/Reader.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from pathlib import Path
from pprint import pprint
import json
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4 changes: 4 additions & 0 deletions tutorials/scripts/Visualise.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import io
import uuid

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4 changes: 4 additions & 0 deletions tutorials/scripts/Visualise_quip.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import io
import uuid

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4 changes: 4 additions & 0 deletions tutorials/test_db.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

from pathlib import Path
from ase.io import iread, read

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4 changes: 4 additions & 0 deletions tutorials/test_upload.py
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# Copyright (c) 2025.
# Authors: Ádám Fekete, Elliott Kasoar
# This program is distributed under the MIT License, see LICENSE.md.

import numpy as np
from collections import Counter

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