molstar-cli 0.0.1__py3-none-any.whl

molstar_cli/__init__.py

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+"""Open local molecular structure and volume files in the Mol* viewer."""
+from pathlib import Path
+
+try:
+    from ._version import __version__  # written from the git tag at build/install time
+except ImportError:  # source tree that was never built or installed
+    __version__ = "0+unknown"
+
+
+def molstar_version() -> str:
+    """Version of the bundled Mol* viewer."""
+    return (Path(__file__).parent / "static" / "molstar" / "VERSION").read_text().strip()

molstar_cli/__main__.py

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+import sys
+
+from .cli import main
+
+sys.exit(main())

molstar_cli/_version.py

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+# file generated by vcs-versioning
+# don't change, don't track in version control
+from __future__ import annotations
+
+__all__ = [
+    "__version__",
+    "__version_tuple__",
+    "version",
+    "version_tuple",
+    "__commit_id__",
+    "commit_id",
+]
+
+version: str
+__version__: str
+__version_tuple__: tuple[int | str, ...]
+version_tuple: tuple[int | str, ...]
+commit_id: str | None
+__commit_id__: str | None
+
+__version__ = version = '0.0.1'
+__version_tuple__ = version_tuple = (0, 0, 1)
+
+__commit_id__ = commit_id = None

molstar_cli/cli.py

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+"""Command-line entry point: ``molstar FILE [FILE ...]``."""
+from __future__ import annotations
+
+import argparse
+import os
+import socket
+import sys
+import webbrowser
+from pathlib import Path
+
+from . import __version__, molstar_version
+from .server import MolstarServer
+
+
+def parse_args(argv: list[str] | None) -> argparse.Namespace:
+    parser = argparse.ArgumentParser(
+        prog="molstar",
+        description="Open structure and volume files (mmCIF, BinaryCIF, PDB, EMDB maps, ...) "
+                    "together in one Mol* viewer scene in your browser.",
+    )
+    parser.add_argument("files", nargs="+", metavar="FILE", help="files to open")
+    parser.add_argument("-p", "--port", type=int, default=0, help="port to listen on (default: a random free port)")
+    parser.add_argument("--no-browser", action="store_true", help="only print the URL, do not open a browser")
+    parser.add_argument("-V", "--version", action="version",
+                        version=f"molstar-cli {__version__} (Mol* {molstar_version()})")
+    return parser.parse_args(argv)
+
+
+def can_open_browser() -> bool:
+    """Whether webbrowser.open would reach a graphical browser rather than lynx/w3m in this terminal."""
+    if sys.platform in ("darwin", "win32") or os.environ.get("BROWSER"):
+        return True
+    return bool(os.environ.get("DISPLAY") or os.environ.get("WAYLAND_DISPLAY"))
+
+
+def main(argv: list[str] | None = None) -> int:
+    args = parse_args(argv)
+
+    bad = False
+    for name in args.files:
+        path = Path(name)
+        if not path.is_file():
+            reason = "is a directory" if path.is_dir() else "no such file"
+            print(f"molstar: error: {name}: {reason}", file=sys.stderr)
+            bad = True
+    if bad:
+        return 2
+
+    try:
+        server = MolstarServer(args.files, port=args.port)
+    except OSError as e:
+        print(f"molstar: error: cannot listen on port {args.port}: {e.strerror or e}", file=sys.stderr)
+        return 1
+
+    with server:
+        port = server.server_address[1]
+        print(f"Mol* viewer: {server.url}")
+        if args.no_browser or not can_open_browser():
+            print(f"On a remote machine? Run `ssh -L {port}:127.0.0.1:{port} {socket.gethostname()}` "
+                  "on your computer, then open the URL above there.")
+        else:
+            webbrowser.open(server.url)
+        # Flush now: when stdout is a pipe or file it is block-buffered, and the URL
+        # would otherwise only appear after the server stops.
+        print("Press Ctrl-C to stop.", flush=True)
+        try:
+            server.serve_forever()
+        except KeyboardInterrupt:
+            pass
+    return 0

molstar_cli/server.py

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+"""Local HTTP server for the bundled Mol* viewer and the files it should open."""
+from __future__ import annotations
+
+import json
+import os
+import secrets
+import shutil
+import socketserver
+import sys
+from collections.abc import Iterable
+from http.server import BaseHTTPRequestHandler, ThreadingHTTPServer
+from pathlib import Path
+from urllib.parse import quote, unquote, urlsplit
+
+STATIC_DIR = Path(__file__).resolve().parent / "static"
+VIEWER_DIR = STATIC_DIR / "molstar"
+INDEX_HTML = STATIC_DIR / "open.html"
+
+CONTENT_TYPES = {
+    ".html": "text/html; charset=utf-8",
+    ".js": "text/javascript; charset=utf-8",
+    ".css": "text/css; charset=utf-8",
+    ".json": "application/json",
+    ".ico": "image/x-icon",
+    ".jpg": "image/jpeg",
+}
+
+
+class MolstarServer(ThreadingHTTPServer):
+    """Serves the viewer and ``files`` on localhost under a random URL token.
+
+    Only the files passed in are readable; everything else is 403 (wrong token) or 404.
+    """
+
+    daemon_threads = True
+    # On Windows SO_REUSEADDR lets a second socket bind a port that is already in use.
+    allow_reuse_address = sys.platform != "win32"
+
+    def __init__(self, files: Iterable[str | os.PathLike], host: str = "127.0.0.1", port: int = 0):
+        self.files = [Path(f).resolve() for f in files]
+        self.token = secrets.token_urlsafe(16)
+        super().__init__((host, port), _Handler)
+
+    def server_bind(self):
+        # Skip HTTPServer.server_bind: its socket.getfqdn() reverse DNS lookup can block
+        # for ~35 s on macOS, and server_name is only used by CGI handlers.
+        socketserver.TCPServer.server_bind(self)
+        self.server_name, self.server_port = self.server_address[:2]
+
+    @property
+    def url(self) -> str:
+        host, port = self.server_address[:2]
+        return f"http://{host}:{port}/{self.token}/"
+
+    def manifest(self) -> list[dict[str, str]]:
+        return [{"name": f.name, "url": f"files/{i}/{quote(f.name)}"} for i, f in enumerate(self.files)]
+
+    def handle_error(self, request, client_address):
+        # The browser dropping a connection mid-transfer is not worth a traceback.
+        if not isinstance(sys.exc_info()[1], ConnectionError):
+            super().handle_error(request, client_address)
+
+
+class _Handler(BaseHTTPRequestHandler):
+    server: MolstarServer
+
+    def do_GET(self):
+        path = unquote(urlsplit(self.path).path)
+        prefix = f"/{self.server.token}/"
+        if not path.startswith(prefix):
+            self.send_error(403)
+            return
+        rest = path[len(prefix):]
+        if rest == "":
+            self._send_file(INDEX_HTML)
+        elif rest == "files.json":
+            self._send_bytes(json.dumps(self.server.manifest()).encode(), CONTENT_TYPES[".json"])
+        elif rest.startswith("files/"):
+            self._send_file(self._listed_file(rest), "application/octet-stream")
+        else:
+            self._send_file(self._viewer_asset(rest))
+
+    def _listed_file(self, rest: str) -> Path | None:
+        parts = rest.split("/")
+        if len(parts) != 3 or not parts[1].isdecimal():
+            return None
+        index, name = int(parts[1]), parts[2]
+        if index >= len(self.server.files) or self.server.files[index].name != name:
+            return None
+        return self.server.files[index]
+
+    def _viewer_asset(self, rest: str) -> Path | None:
+        try:
+            target = (VIEWER_DIR / rest).resolve()
+        except (OSError, ValueError):
+            return None
+        return target if target.is_relative_to(VIEWER_DIR) and target.is_file() else None
+
+    def _send_file(self, path: Path | None, content_type: str | None = None):
+        if path is None:
+            self.send_error(404)
+            return
+        try:
+            f = path.open("rb")
+        except OSError:
+            self.send_error(404)
+            return
+        with f:
+            self._send_headers(os.fstat(f.fileno()).st_size,
+                               content_type or CONTENT_TYPES.get(path.suffix.lower(), "application/octet-stream"))
+            try:
+                shutil.copyfileobj(f, self.wfile)
+            except ConnectionError:
+                pass
+
+    def _send_bytes(self, data: bytes, content_type: str):
+        self._send_headers(len(data), content_type)
+        self.wfile.write(data)
+
+    def _send_headers(self, length: int, content_type: str):
+        self.send_response(200)
+        self.send_header("Content-Type", content_type)
+        self.send_header("Content-Length", str(length))
+        self.send_header("Cache-Control", "no-store")
+        self.end_headers()
+
+    def log_message(self, format, *args):
+        pass

molstar_cli/static/molstar/LICENSE.molstar

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+The MIT License
+
+    Copyright (c) 2017 - now, Mol* contributors
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in
+all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+THE SOFTWARE.

molstar_cli/static/molstar/VERSION

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+5.11.0

molstar_cli/static/molstar/molstar.css

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.msp-plugin-content{color:#332b1f}.msp-plugin .msp-plugin-init-error{white-space:pre;margin:10px}.msp-plugin .msp-svg-text{fill:#332b1f}.msp-plugin{background:#eeece7}
+/*! normalize.css v3.0.3 | MIT License | github.com/necolas/normalize.css */
+/*# sourceMappingURL=molstar.css.map */