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absolut import paths / isort
1 parent c984456 commit aa9bf45

37 files changed

+104
-79
lines changed

misc/conftest.py

Lines changed: 3 additions & 3 deletions
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@@ -3,12 +3,12 @@
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import subprocess
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import time
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from pathlib import Path
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import molify
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import ase
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from ase.calculators.singlepoint import SinglePointCalculator
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import molify
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import numpy as np
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import pytest
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from ase.calculators.singlepoint import SinglePointCalculator
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from playwright.sync_api import Page, sync_playwright
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MISC_DIR = Path(__file__).parent

misc/test_screenshots.py

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@@ -3,7 +3,7 @@
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import ase
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from zndraw import ZnDraw
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from zndraw.geometries import Floor, Box, Curve, Camera, Sphere, Arrow
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from zndraw.geometries import Arrow, Box, Camera, Curve, Floor, Sphere
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def test_overview(server, page, capture, bmim_bf4, request):
@@ -509,7 +509,8 @@ def test_chat(server, page, capture, bmim_bf4, request):
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def test_custom_modifier(server, page, capture, bmim_bf4, request):
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"""Capture custom modifier registered with vis.register_extension()."""
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from pydantic import Field
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from zndraw.extensions import Extension, Category
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from zndraw.extensions import Category, Extension
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class ScaleAtoms(Extension):
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"""Scale atom positions by a factor."""

src/zndraw-mcp/__init__.py

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@@ -1,17 +1,17 @@
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import contextlib
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import io
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import subprocess
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import traceback
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import plotly.graph_objects as go
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import plotly.express as px
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import pandas as pd
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import numpy as np
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import ase
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import numpy as np
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import pandas as pd
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import plotly.express as px
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import plotly.graph_objects as go
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from fastmcp import FastMCP
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from zndraw.server_manager import get_server_status, ServerInfo
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from zndraw import ZnDraw
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import subprocess
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from zndraw import ZnDraw
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from zndraw.server_manager import ServerInfo, get_server_status
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# Initialize the MCP Server
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mcp = FastMCP("ZnDraw Bridge")

src/zndraw/app/frame_routes.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1011,7 +1011,8 @@ def decode_numpy_recursively(obj):
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# Merge updates into existing frame
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# First, decode existing frame values to apply updates
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from asebytes import decode as asebytes_decode, encode as asebytes_encode
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from asebytes import decode as asebytes_decode
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from asebytes import encode as asebytes_encode
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# Decode existing frame to ASE Atoms object for easier manipulation
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atoms = asebytes_decode(existing_frame)

src/zndraw/app/geometry_routes.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@
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from flask import Blueprint, current_app, request
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from zndraw.auth import require_auth
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from zndraw.geometries import geometries as geometry_classes
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from zndraw.server import socketio
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from zndraw.auth import require_auth
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from .constants import SocketEvents
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from .redis_keys import RoomKeys

src/zndraw/app/job_routes.py

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@@ -7,8 +7,8 @@
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from flask import Blueprint, current_app, jsonify, request
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from zndraw.server import socketio
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from zndraw.auth import require_auth
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from zndraw.server import socketio
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from .job_manager import JobManager, JobStatus
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from .redis_keys import ExtensionKeys

src/zndraw/app/room_routes.py

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Original file line numberDiff line numberDiff line change
@@ -11,9 +11,12 @@
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from flask import Blueprint, current_app, request
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from zndraw.server import socketio
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from zndraw.app.constants import SocketEvents
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from zndraw.auth import require_auth, require_admin
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from zndraw.auth import require_admin, require_auth
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from zndraw.extensions.analysis import analysis
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from zndraw.extensions.modifiers import modifiers
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from zndraw.extensions.selections import selections
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from zndraw.server import socketio
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from .frame_index_manager import FrameIndexManager
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from .redis_keys import GlobalIndexKeys, RoomKeys, SessionKeys
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get_lock_key,
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requires_lock,
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)
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from zndraw.extensions.analysis import analysis
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from zndraw.extensions.modifiers import modifiers
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from zndraw.extensions.selections import selections
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log = logging.getLogger(__name__)
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@@ -54,7 +54,7 @@ def list_rooms():
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}]
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"""
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from zndraw.app.room_data_fetcher import BatchedRoomDataFetcher
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from zndraw.auth import extract_token_from_request, decode_jwt_token, AuthError
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from zndraw.auth import AuthError, decode_jwt_token, extract_token_from_request
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redis_client = current_app.extensions["redis"]
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room_service = current_app.extensions["room_service"]

src/zndraw/app/worker_routes.py

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@@ -9,16 +9,14 @@
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1010
from flask import Blueprint, current_app, request
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12+
from zndraw.app.constants import SocketEvents
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from zndraw.app.redis_keys import ExtensionKeys, FilesystemKeys, SessionKeys
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from zndraw.extensions.analysis import analysis
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from zndraw.extensions.modifiers import modifiers
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from zndraw.extensions.selections import selections
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from zndraw.server import socketio
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from zndraw.settings import RoomConfig
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from .constants import SocketEvents
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from .redis_keys import ExtensionKeys, FilesystemKeys, SessionKeys
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log = logging.getLogger(__name__)
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workers = Blueprint("workers", __name__)

src/zndraw/extensions/__init__.py

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Original file line numberDiff line numberDiff line change
@@ -1,3 +1,3 @@
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from zndraw.extensions.abc import Extension, Category
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from zndraw.extensions.abc import Category, Extension
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__all__ = ["Category", "Extension"]

src/zndraw/extensions/analysis.py

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@@ -5,7 +5,7 @@
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import plotly.express as px
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from pydantic import Field
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from zndraw.extensions.abc import Extension, Category
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from zndraw.extensions.abc import Category, Extension
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1010
if t.TYPE_CHECKING:
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from zndraw import ZnDraw

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