ms-components 0.5.2__tar.gz → 0.5.4__tar.gz

{ms_components-0.5.2 → ms_components-0.5.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ms_components
-Version: 0.5.2
+Version: 0.5.4
 Summary: PySide6 UI components for MolSuite: smart table, project browser, job monitor, PyMOL dock, steppers.
 Author: Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco
 License-Expression: MIT
@@ -25,7 +25,7 @@ Requires-Dist: ms_flow>=0.7.1; extra == "projects"
 Provides-Extra: pymol
 Requires-Dist: pymol-open-source>=3.2.0a0; extra == "pymol"
 Provides-Extra: steps
-Requires-Dist: ms_env>=0.3.3; extra == "steps"
+Requires-Dist: ms_env>=0.4.0; extra == "steps"
 Provides-Extra: table
 Requires-Dist: sqlmodel>=0.0.14; extra == "table"
 Provides-Extra: all

{ms_components-0.5.2 → ms_components-0.5.4}/pyproject.toml

@@ -33,7 +33,7 @@ dependencies = [
 monitor = ["pydantic>=2.0"]
 projects = ["ms_flow>=0.7.1"]
 pymol = ["pymol-open-source>=3.2.0a0"]
-steps = ["ms_env>=0.3.3"]
+steps = ["ms_env>=0.4.0"]
 table = ["sqlmodel>=0.0.14"]
 all = ["ms_components[monitor,projects,pymol,steps,table]"]
 # Test + development tooling.

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_executors.py

@@ -371,8 +371,9 @@ class KeptPage(QWidget):
 
         threading.Thread(target=work, name="host-check", daemon=True).start()
 
-    def _sync(self) -> None:
-        """`Workspace.host_env` for the host as it is saved: what the app prepares there, made as it is here."""
+    def _sync(self, *_, unlock=None) -> None:
+        """`Workspace.host_env` for the host as it is saved: what the app prepares there, made as it is here.
+        `unlock` first removes the lock of an environment there that the user said was left behind."""
         name = self.names.currentItem().text()
         host = self._kept()[name]
         if host.env:
@@ -388,9 +389,12 @@ class KeptPage(QWidget):
 
         def work() -> None:
             try:
+                if unlock is not None:
+                    unlock()
                 self._workspace.host_env(host.address, None, lambda line: self._synced.emit(line, False))
                 said = f"\n{name} is ready."
             except Exception as error:  # noqa: BLE001 - said in the page, where it was asked for
+                self._sync_error = error
                 said = f"\nCould not prepare {name}:\n{error}"
             self._synced.emit(said, True)
 
@@ -402,6 +406,14 @@ class KeptPage(QWidget):
         self.sync_button.setEnabled(last)
         if last:
             self.steps.setVisible(False)
+            error, self._sync_error = getattr(self, "_sync_error", None), None
+            if error is None:
+                return
+            from ms_components.step_dialog import offer_unlock  # ms_env is the `steps` extra; a sync has it
+
+            forced = offer_unlock(self, error)
+            if forced:
+                self._sync(unlock=forced)
 
     def _show_report(self, text: str) -> None:
         self.report.setPlainText(text)

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_monitor/widget.py

@@ -32,6 +32,7 @@ class MolSuiteMonitorWidget(QWidget):
         super().__init__(parent)
         self._bridge = None
         self._snapshot: ProjectMonitorState | None = None
+        self._select_active_on_snapshot = False
         # The failures of the selected job come from the journal: read again only when the job
         # changes or fails more, not each poll, so the list does not jump while it is read.
         self._failures_key = None
@@ -171,6 +172,39 @@ class MolSuiteMonitorWidget(QWidget):
             self._restyle()
         super().changeEvent(event)
 
+    def showEvent(self, event):
+        super().showEvent(event)
+        self.select_active_job()
+        # A hidden monitor can still hold the previous poll. Focus once more when
+        # fresh data arrives, unless the user changes selection in the meantime.
+        self._select_active_on_snapshot = True
+        if self._bridge is not None:
+            self._bridge.request_refresh()
+
+    def select_active_job(self) -> None:
+        """Focus running work when opened, keeping an already selected running job.
+
+        The poller orders jobs newest first within active and finished groups. Waiting work
+        is the fallback when nothing is running; with no active work, keep the selection.
+        """
+        jobs = self._jobs_view.jobs()
+        candidates = [job for job in jobs if job.status == "running"]
+        if not candidates:
+            candidates = [job for job in jobs if not job.is_terminal]
+        selected = self._selected_job()
+        if not candidates:
+            if selected is None and jobs:
+                self._jobs_view.select_job(jobs[0].job_id)
+            return
+        job_id = next((job.job_id for job in candidates if selected and job.job_id == selected.job_id),
+                      candidates[0].job_id)
+        if job_id not in self._jobs_view.visible_job_ids():
+            self._search_input.clear()
+            self._status_filter.setCurrentIndex(0)
+            self._filter(None, None, host=False)
+        self._jobs_view.select_job(job_id)
+        self._jobs_view.scrollToItem(self._jobs_view.currentItem())
+
     def attach_bridge(self, bridge) -> None:
         if self._bridge is bridge:
             return
@@ -198,6 +232,7 @@ class MolSuiteMonitorWidget(QWidget):
 
     def clear_snapshot(self) -> None:
         self._snapshot = None
+        self._select_active_on_snapshot = False
         self._title_label.setText("No active project")
         self._summary_label.setText("Open a project to monitor jobs.")
         self._update_sync_state(None)
@@ -215,6 +250,8 @@ class MolSuiteMonitorWidget(QWidget):
         self._failures_key = None
 
     def update_snapshot(self, snapshot: ProjectMonitorState) -> None:
+        focus_active = self._select_active_on_snapshot
+        self._select_active_on_snapshot = False
         self._snapshot = snapshot
         if not snapshot.has_project:
             self.clear_snapshot()
@@ -232,6 +269,8 @@ class MolSuiteMonitorWidget(QWidget):
         self._jobs_view.set_jobs(snapshot.jobs)
         self._hosts.set_jobs(snapshot.jobs)
         self._rebuild_filters(snapshot)
+        if focus_active or self._selected_job() is None:
+            self.select_active_job()
         self._show_selected()
 
     def _rebuild_filters(self, snapshot: ProjectMonitorState) -> None:
@@ -298,6 +337,7 @@ class MolSuiteMonitorWidget(QWidget):
         self._bridge.resume_job(job_id, executor)
 
     def _on_current_job_changed(self, job_id) -> None:
+        self._select_active_on_snapshot = False
         if self._bridge is not None:
             self._bridge.select_job(job_id)
         self._show_selected()

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_projects/browser.py

@@ -550,7 +550,7 @@ class ProjectRowDelegate(QStyledItemDelegate):
                 painter.setBrush(QBrush(palette.color(QPalette.ColorRole.Highlight)))
                 painter.setPen(Qt.NoPen)
                 painter.drawRect(QRect(rect.left(), rect.top()+1, 3, rect.height()-1))
-            self._paint_name_col(painter, rect, project, palette)
+            self._paint_name_col(painter, rect, project, palette, option.font)
 
         elif col in (_COL_META, _COL_PATH, _COL_DATE):
             role = (
@@ -559,7 +559,7 @@ class ProjectRowDelegate(QStyledItemDelegate):
                 else QPalette.ColorRole.PlaceholderText
             )
             painter.setPen(QPen(palette.color(role)))
-            painter.setFont(QFont("", 9 if col == _COL_META else 8))
+            painter.setFont(self._font(option.font, 9 if col == _COL_META else 8))
             text = index.data(Qt.DisplayRole) or ""
             flags = Qt.AlignLeft | Qt.AlignVCenter
             if col == _COL_META:
@@ -568,10 +568,10 @@ class ProjectRowDelegate(QStyledItemDelegate):
                              flags, text)
 
         elif col == _COL_STAR:
-            self._paint_star(painter, rect, project, is_hover, palette)
+            self._paint_star(painter, rect, project, is_hover, palette, option.font)
 
         elif col == _COL_MENU:
-            self._paint_menu_btn(painter, rect, is_hover, palette)
+            self._paint_menu_btn(painter, rect, is_hover, palette, option.font)
 
         painter.restore()
 
@@ -581,6 +581,7 @@ class ProjectRowDelegate(QStyledItemDelegate):
         rect: QRect,
         project: ProjectItem,
         palette: QPalette,
+        base_font: QFont,
     ):
         # Avatar
         av_x  = rect.left() + 10
@@ -592,18 +593,18 @@ class ProjectRowDelegate(QStyledItemDelegate):
         painter.drawEllipse(av_r)
         tc = QColor("#202124") if color.lightness() > 150 else QColor("#ffffff")
         painter.setPen(tc)
-        painter.setFont(QFont("", 12, QFont.Bold))
+        painter.setFont(self._font(base_font, 12, QFont.Bold))
         painter.drawText(av_r, Qt.AlignCenter, (project.name or "?")[:1].upper())
 
         # Name
         tx = av_x + self._AVATAR + 10
-        painter.setFont(QFont("", 11, QFont.Bold))
+        painter.setFont(self._font(base_font, 11, QFont.Bold))
         painter.setPen(palette.color(QPalette.ColorRole.Text))
         painter.drawText(QRect(tx, rect.top()+8, rect.width()-tx-8, 20),
                          Qt.AlignLeft | Qt.AlignVCenter, project.name or "")
 
         # Project id
-        painter.setFont(QFont("", 8))
+        painter.setFont(self._font(base_font, 8))
         painter.setPen(palette.color(QPalette.ColorRole.PlaceholderText))
         painter.drawText(
             QRect(tx, rect.top() + 30, rect.width() - tx - 8, 16),
@@ -611,7 +612,16 @@ class ProjectRowDelegate(QStyledItemDelegate):
             f"ID: {project.id}",
         )
 
-    def _paint_star(self, painter, rect, project, is_hover, palette: QPalette):
+    @staticmethod
+    def _font(base_font: QFont, point_size: int, weight: QFont.Weight | None = None) -> QFont:
+        """Keep the application's typeface while adjusting hierarchy in the project rows."""
+        font = QFont(base_font)
+        font.setPointSize(point_size)
+        if weight is not None:
+            font.setWeight(weight)
+        return font
+
+    def _paint_star(self, painter, rect, project, is_hover, palette: QPalette, base_font: QFont):
         if project.favorite:
             favorite = theme_color("yellow")
             favorite_bg = QColor(favorite)
@@ -628,10 +638,10 @@ class ProjectRowDelegate(QStyledItemDelegate):
             painter.setPen(QPen(palette.color(QPalette.ColorRole.Text)))
         else:
             painter.setPen(QPen(palette.color(QPalette.ColorRole.PlaceholderText)))
-        painter.setFont(QFont("", 12))
+        painter.setFont(self._font(base_font, 12))
         painter.drawText(rect, Qt.AlignCenter, "★")
 
-    def _paint_menu_btn(self, painter, rect, is_hover, palette: QPalette):
+    def _paint_menu_btn(self, painter, rect, is_hover, palette: QPalette, base_font: QFont):
         if is_hover:
             bh = self._BTN_SIZE
             r  = rect.adjusted(3, (rect.height()-bh)//2, -3, -(rect.height()-bh)//2)
@@ -643,7 +653,7 @@ class ProjectRowDelegate(QStyledItemDelegate):
             if is_hover
             else QPalette.ColorRole.PlaceholderText
         )))
-        painter.setFont(QFont("", 13, QFont.Bold))
+        painter.setFont(self._font(base_font, 13, QFont.Bold))
         painter.drawText(rect, Qt.AlignCenter, "⋯")
 
     def editorEvent(self, event, model, option, index):

ms_components-0.5.4/src/ms_components/ms_pymol/icons/export.svg

@@ -0,0 +1,5 @@
+<svg xmlns="http://www.w3.org/2000/svg" width="24" height="24" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round">
+  <path d="M12 3v12"/>
+  <path d="m7 10 5 5 5-5"/>
+  <path d="M5 17v3h14v-3"/>
+</svg>

ms_components-0.5.4/src/ms_components/ms_pymol/icons/save.svg

@@ -0,0 +1,5 @@
+<svg xmlns="http://www.w3.org/2000/svg" width="24" height="24" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round">
+  <path d="M19 21H5a2 2 0 0 1-2-2V5a2 2 0 0 1 2-2h11l5 5v11a2 2 0 0 1-2 2z"/>
+  <path d="M17 21v-8H7v8"/>
+  <path d="M7 3v5h8"/>
+</svg>

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_pymol/scene.py

@@ -10,11 +10,10 @@ from __future__ import annotations
 import math
 from collections import OrderedDict
 from collections.abc import Callable
-from pathlib import Path
 
 from PySide6.QtCore import QEvent, QObject, QTimer
 from PySide6.QtGui import QAction
-from PySide6.QtWidgets import QFileDialog, QMenu, QMessageBox, QWidget
+from PySide6.QtWidgets import QMenu, QMessageBox, QWidget
 
 from .widget import COMPARISON_COLORS
 
@@ -383,13 +382,6 @@ def add_scene_actions(
         cmd.set("transparency", 0.55, name)
         cmd.zoom(f"({name} or {ligand})", 4)
 
-    def save_png(cmd) -> None:
-        filename, _filter = QFileDialog.getSaveFileName(
-            parent, "Save PyMOL Image", str(Path.home() / "pymol.png"), "PNG Images (*.png)"
-        )
-        if filename:
-            cmd.png(filename, ray=1)
-
     background = menu.addMenu("Background")
     for label, color in (("White", "white"), ("Black", "black"), ("Grey", "grey20")):
         menu_action(background, label, run("set the background", lambda cmd, c=color: cmd.bg_color(c)))
@@ -402,7 +394,6 @@ def add_scene_actions(
     menu_action(render, "Shadows On", run("set shadows", lambda cmd: cmd.set("ray_shadows", 1)))
     menu_action(render, "Shadows Off", run("set shadows", lambda cmd: cmd.set("ray_shadows", 0)))
     menu_action(render, "Ray", run("ray-trace", lambda cmd: cmd.ray()))
-    menu_action(render, "Save PNG…", run("save the PNG", save_png))
 
     surface = menu.addMenu("Surface")
     menu_action(surface, "Vacuum Electrostatics…", lambda: _vacuum_electrostatics(dock, parent),

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_pymol/widget.py

@@ -2,6 +2,7 @@ from __future__ import annotations
 
 import logging
 import os
+import re
 from collections.abc import Callable, Mapping
 from dataclasses import dataclass, field, replace
 from pathlib import Path
@@ -16,6 +17,7 @@ from PySide6.QtCore import QByteArray, QEvent, QSize, Qt, QTimer, Signal
 from PySide6.QtGui import QAction, QActionGroup, QGuiApplication, QIcon, QPainter, QPixmap
 from PySide6.QtSvg import QSvgRenderer
 from PySide6.QtWidgets import (
+    QFileDialog,
     QFrame,
     QHBoxLayout,
     QLabel,
@@ -215,7 +217,7 @@ class PymolControlBar(QFrame):
         bar.setContentsMargins(0, 0, 0, 0)
         bar.setIconSize(QSize(16, 16))
         bar.setToolButtonStyle(Qt.ToolButtonIconOnly)
-        outer.addWidget(bar, 1)
+        outer.addWidget(bar)
 
         selection_menu = QMenu("Selection", bar)
         selection_group = QActionGroup(selection_menu)
@@ -306,12 +308,30 @@ class PymolControlBar(QFrame):
             menu=self.preset_menu,
         )
 
+        self.export_menu = QMenu("Export", bar)
+        self.export_pdb_action = self.export_menu.addAction("Save displayed complex as PDB…")
+        self.export_pdb_action.setToolTip("Export the displayed receptor and ligand as a PDB file.")
+        self.export_pdb_action.triggered.connect(
+            lambda checked=False: self._save_complex_pdb()
+        )
+        self.export_png_action = self.export_menu.addAction("Save ray-traced PNG…")
+        self.export_png_action.setToolTip("Save a ray-traced image at 300 dpi, sized for print.")
+        self.export_png_action.triggered.connect(
+            lambda checked=False: self._save_ray_traced_png()
+        )
+        self.export_action = self._add_toolbar_action(
+            "Export", "save.svg",
+            "Export the displayed structure as PDB or save a print-quality PNG.",
+            menu=self.export_menu,
+        )
+
         self.context_label = _ElidedLabel("Generic", self)
         self.context_label.setObjectName("PymolSceneContext")
         self.context_label.setAlignment(Qt.AlignVCenter | Qt.AlignRight)
-        self.context_label.setSizePolicy(QSizePolicy.Preferred, QSizePolicy.Preferred)
+        # Ignored: the tools keep their width and the scene name takes only what is left.
+        self.context_label.setSizePolicy(QSizePolicy.Ignored, QSizePolicy.Preferred)
         self.context_label.setToolTip("Current molecular scene context.")
-        outer.addWidget(self.context_label)
+        outer.addWidget(self.context_label, 1)
 
         self._register_builtin_presets()
         self._sync_selection_mode()
@@ -322,6 +342,69 @@ class PymolControlBar(QFrame):
         if self._cmd is None:
             self.setEnabled(False)
 
+    def _export_selection(self) -> str:
+        """Prefer the visible complex's named components over an ambiguous `all` target."""
+        selections = dict(self._context.selections or {})
+        components = [
+            selections[role]
+            for role in ("receptor", "ligand")
+            if selections.get(role)
+        ]
+        if components:
+            return " or ".join(f"({selection})" for selection in components)
+        return str(self._context.target or "all").strip() or "all"
+
+    def _export_stem(self) -> str:
+        context = self._context
+        selections = dict(context.selections or {})
+        components = [
+            selections[role]
+            for role in ("receptor", "ligand")
+            if selections.get(role)
+        ]
+        label = (
+            "complex"
+            if len(components) > 1 or context.kind == "complex"
+            else (components[0] if components else context.target)
+        )
+        stem = re.sub(r"[^A-Za-z0-9._-]+", "_", str(label or context.kind or "pymol")).strip("._-")
+        return stem or "pymol"
+
+    def _save_complex_pdb(self) -> None:
+        filename, _selected_filter = QFileDialog.getSaveFileName(
+            self,
+            "Save displayed complex as PDB",
+            str(Path.home() / f"{self._export_stem()}.pdb"),
+            "PDB files (*.pdb)",
+        )
+        if not filename:
+            return
+        path = Path(filename)
+        if path.suffix.lower() != ".pdb":
+            path = path.with_suffix(".pdb")
+        selection = self._export_selection()
+        self._run_command(
+            "Export PDB",
+            lambda: self._cmd.save(str(path), selection=selection, state=-1, format="pdb"),
+        )
+
+    def _save_ray_traced_png(self) -> None:
+        filename, _selected_filter = QFileDialog.getSaveFileName(
+            self,
+            "Save ray-traced PyMOL image",
+            str(Path.home() / f"{self._export_stem()}.png"),
+            "PNG images (*.png)",
+        )
+        if not filename:
+            return
+        path = Path(filename)
+        if path.suffix.lower() != ".png":
+            path = path.with_suffix(".png")
+        self._run_command(
+            "Save PNG",
+            lambda: self._cmd.png(str(path), width="8in", dpi=300, ray=1),
+        )
+
     def _add_toolbar_action(
         self,
         text: str,
@@ -342,12 +425,23 @@ class PymolControlBar(QFrame):
         self.toolbar.addAction(action)
         self._toolbar_action_icons[action] = icon_name
 
+        self._configure_action_button(action)
+        return action
+
+    def _configure_action_button(self, action: QAction) -> None:
         button = self.toolbar.widgetForAction(action)
         if isinstance(button, QToolButton):
             button.setObjectName("PymolToolbarButton")
-            if menu is not None:
+            if action.menu() is not None:
                 button.setPopupMode(QToolButton.InstantPopup)
-        return action
+
+    def move_action_to_end(self, action: QAction) -> None:
+        """Move an existing control, preserving its menu-button behavior."""
+        self.toolbar.removeAction(action)
+        self.toolbar.addAction(action)
+        # Qt creates a new QToolButton on reinsertion, losing its popup mode.
+        self._configure_action_button(action)
+        self._configure_overflow_button()
 
     def add_menu_action(
         self,

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_table/example_usage.py

@@ -360,12 +360,12 @@ def main():
 
     table = SmartTableView(db=db, config=config)
     table.row_double_clicked.connect(
-        lambda obj: print(f"Double click: Order #{obj.id} — {obj.product}")
+        lambda obj: print(f"Double click: Order #{obj.id} - {obj.product}")
     )
     layout.addWidget(table)
 
     window.setCentralWidget(central)
-    window.setWindowTitle("SmartTableView — Demo")
+    window.setWindowTitle("SmartTableView - Demo")
     window.resize(1100, 700)
     window.show()
 

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/ms_table/metric_filter_bar.py

@@ -127,7 +127,7 @@ class MetricFilterBar(QWidget):
         *,
         decimals: int = 3,
         default_value: float = 0.0,
-        empty_text: str = "No filters — everything is shown.",
+        empty_text: str = "No filters - everything is shown.",
     ):
         super().__init__(parent)
         self.setStyleSheet(CHIP_STYLE)

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/palettes.py

@@ -29,8 +29,11 @@ THEMES: dict[str, dict[str, str]] = {
     "catppuccin_macchiato": {"window": "#24273a", "window_text": "#cad3f5", "base": "#1e2030", "alternate_base": "#24273a", "tooltip_base": "#1e2030", "tooltip_text": "#939ab7", "placeholder_text": "#888eaa", "text": "#cad3f5", "button": "#24273a", "button_text": "#cad3f5", "bright_text": "#08090a", "light": "#181926", "midlight": "#1e2030", "mid": "#5b6078", "dark": "#494d64", "shadow": "#6e738d", "highlight": "#c6a0f6", "highlighted_text": "#181926", "link": "#8aadf4", "link_visited": "#8aadf4", "accent": "#8aadf4", "disabled_text": "#61677f", "red": "#ed8796", "orange": "#f5a97f", "yellow": "#eed49f", "green": "#a6da95", "cyan": "#91d7e3", "blue": "#8aadf4", "magenta": "#c6a0f6"},
     "catppuccin_mocha": {"window": "#1e1e2e", "window_text": "#cdd6f4", "base": "#181825", "alternate_base": "#1e1e2e", "tooltip_base": "#181825", "tooltip_text": "#9399b2", "placeholder_text": "#82879f", "text": "#cdd6f4", "button": "#1e1e2e", "button_text": "#cdd6f4", "bright_text": "#090a0b", "light": "#11111b", "midlight": "#181825", "mid": "#585b70", "dark": "#45475a", "shadow": "#6c7086", "highlight": "#cba6f7", "highlighted_text": "#11111b", "link": "#89b4fa", "link_visited": "#89b4fa", "accent": "#89b4fa", "disabled_text": "#5d6075", "red": "#f38ba8", "orange": "#fab387", "yellow": "#f9e2af", "green": "#a6e3a1", "cyan": "#89dceb", "blue": "#89b4fa", "magenta": "#cba6f7"},
     "dracula": {"window": "#2d2f3c", "window_text": "#f8f8f2", "base": "#282a36", "alternate_base": "#2d2f3c", "tooltip_base": "#282a36", "tooltip_text": "#9ea0a6", "placeholder_text": "#97989b", "text": "#f8f8f2", "button": "#2d2f3c", "button_text": "#f8f8f2", "bright_text": "#070707", "light": "#1d1b22", "midlight": "#282a36", "mid": "#44475a", "dark": "#474959", "shadow": "#767985", "highlight": "#bd93f9", "highlighted_text": "#1d1b22", "link": "#ff79c6", "link_visited": "#ff79c6", "accent": "#ff79c6", "disabled_text": "#6e6f76", "red": "#ff6262", "orange": "#ffb86c", "yellow": "#f1fa8c", "green": "#50fa7b", "cyan": "#8be9fd", "blue": "#8a96bb", "magenta": "#bd93f9"},
+    "glen_light": {"window": "#f6f8fa", "window_text": "#1f2328", "base": "#ffffff", "alternate_base": "#fbfcfd", "tooltip_base": "#fbfcfd", "tooltip_text": "#444952", "placeholder_text": "#61666e", "text": "#1f2328", "button": "#f6f8fa", "button_text": "#1f2328", "bright_text": "#a7bcd7", "light": "#ffffff", "midlight": "#fbfcfd", "mid": "#9da1a6", "dark": "#bbbec2", "shadow": "#7f838a", "highlight": "#db68aa", "highlighted_text": "#1d1b22", "link": "#8164aa", "link_visited": "#8164aa", "accent": "#8164aa", "disabled_text": "#979a9e", "red": "#cf1d3d", "orange": "#b25600", "yellow": "#776d00", "green": "#1a7f37", "cyan": "#0a7a8a", "blue": "#2f5fd0", "magenta": "#b0337e"},
     "github_dark": {"window": "#262c36", "window_text": "#d1d7e0", "base": "#212830", "alternate_base": "#262c36", "tooltip_base": "#212830", "tooltip_text": "#989ea7", "placeholder_text": "#8d939c", "text": "#d1d7e0", "button": "#262c36", "button_text": "#d1d7e0", "bright_text": "#1d1e1f", "light": "#151b23", "midlight": "#212830", "mid": "#5f656f", "dark": "#4c525c", "shadow": "#727882", "highlight": "#79c0ff", "highlighted_text": "#151b23", "link": "#79c0ff", "link_visited": "#79c0ff", "accent": "#79c0ff", "disabled_text": "#656b75", "red": "#ffa198", "orange": "#ffa657", "yellow": "#e3b341", "green": "#56d364", "cyan": "#68cab2", "blue": "#79c0ff", "magenta": "#d2a8ff"},
     "github_light": {"window": "#f6f8fa", "window_text": "#1f2328", "base": "#ffffff", "alternate_base": "#fbfcfd", "tooltip_base": "#fbfcfd", "tooltip_text": "#444952", "placeholder_text": "#61666e", "text": "#1f2328", "button": "#f6f8fa", "button_text": "#1f2328", "bright_text": "#a7bcd7", "light": "#ffffff", "midlight": "#fbfcfd", "mid": "#9da1a6", "dark": "#bbbec2", "shadow": "#7f838a", "highlight": "#5a94c8", "highlighted_text": "#1f2328", "link": "#0071d5", "link_visited": "#0071d5", "accent": "#0071d5", "disabled_text": "#979a9e", "red": "#e21400", "orange": "#b85600", "yellow": "#8f6b15", "green": "#22822d", "cyan": "#2c7e6a", "blue": "#0071d5", "magenta": "#9838ff"},
+    "github_light_frappe": {"window": "#f6f8fa", "window_text": "#1f2328", "base": "#ffffff", "alternate_base": "#fbfcfd", "tooltip_base": "#fbfcfd", "tooltip_text": "#444952", "placeholder_text": "#61666e", "text": "#1f2328", "button": "#f6f8fa", "button_text": "#1f2328", "bright_text": "#a7bcd7", "light": "#ffffff", "midlight": "#fbfcfd", "mid": "#9da1a6", "dark": "#bbbec2", "shadow": "#7f838a", "highlight": "#a682bd", "highlighted_text": "#232634", "link": "#5d719f", "link_visited": "#5d719f", "accent": "#5d719f", "disabled_text": "#979a9e", "red": "#a65d5f", "orange": "#9a664c", "yellow": "#807051", "green": "#607950", "cyan": "#57777d", "blue": "#5d719f", "magenta": "#846797"},
+    "LF_light": {"window": "#f6f8fa", "window_text": "#1f2328", "base": "#ffffff", "alternate_base": "#fbfcfd", "tooltip_base": "#fbfcfd", "tooltip_text": "#444952", "placeholder_text": "#61666e", "text": "#1f2328", "button": "#f6f8fa", "button_text": "#1f2328", "bright_text": "#a7bcd7", "light": "#ffffff", "midlight": "#fbfcfd", "mid": "#9da1a6", "dark": "#bbbec2", "shadow": "#7f838a", "highlight": "#9f7aea", "highlighted_text": "#1f2328", "link": "#7c3aed", "link_visited": "#7c3aed", "accent": "#7c3aed", "disabled_text": "#979a9e", "red": "#e21400", "orange": "#b85600", "yellow": "#8f6b15", "green": "#22822d", "cyan": "#2c7e6a", "blue": "#0071d5", "magenta": "#9838ff"},
     "modern_dark": {"window": "#2a2a2a", "window_text": "#c8c8c8", "base": "#1f1f1f", "alternate_base": "#2a2a2a", "tooltip_base": "#1f1f1f", "tooltip_text": "#868686", "placeholder_text": "#919191", "text": "#c8c8c8", "button": "#2a2a2a", "button_text": "#c8c8c8", "bright_text": "#373737", "light": "#141414", "midlight": "#1f1f1f", "mid": "#424242", "dark": "#444444", "shadow": "#737373", "highlight": "#2aa5da", "highlighted_text": "#141414", "link": "#2ad7da", "link_visited": "#2ad7da", "accent": "#2ad7da", "disabled_text": "#696969", "red": "#e16f53", "orange": "#da8a2a", "yellow": "#d7da2a", "green": "#2ada6f", "cyan": "#2ad7da", "blue": "#2aa5da", "magenta": "#c06fe4"},
     "modern_light": {"window": "#e6ebf0", "window_text": "#000000", "base": "#ffffff", "alternate_base": "#eef2f6", "tooltip_base": "#eef2f6", "tooltip_text": "#484b4d", "placeholder_text": "#626568", "text": "#000000", "button": "#e6ebf0", "button_text": "#000000", "bright_text": "#ffffff", "light": "#ffffff", "midlight": "#eef2f6", "mid": "#979b9f", "dark": "#b1b6ba", "shadow": "#7d8084", "highlight": "#2590be", "highlighted_text": "#000000", "link": "#157677", "link_visited": "#157677", "accent": "#157677", "disabled_text": "#8f9295", "red": "#bb3f20", "orange": "#945c1a", "yellow": "#6b6d13", "green": "#157a3d", "cyan": "#157677", "blue": "#1a7196", "magenta": "#a22ad7"},
     "monokai": {"window": "#2d2a2e", "window_text": "#fcfcfa", "base": "#221f22", "alternate_base": "#2d2a2e", "tooltip_base": "#221f22", "tooltip_text": "#939293", "placeholder_text": "#939293", "text": "#fcfcfa", "button": "#2d2a2e", "button_text": "#fcfcfa", "bright_text": "#030303", "light": "#19181a", "midlight": "#221f22", "mid": "#5b595c", "dark": "#4e4c4f", "shadow": "#757375", "highlight": "#ffd866", "highlighted_text": "#19181a", "link": "#ff6188", "link_visited": "#ff6188", "accent": "#ff6188", "disabled_text": "#6b696b", "red": "#ff6188", "orange": "#fc9867", "yellow": "#ffd866", "green": "#a9dc76", "cyan": "#91dcaf", "blue": "#78dce8", "magenta": "#ab9df2"},

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/step_dialog.py

@@ -18,6 +18,7 @@ from PySide6.QtWidgets import (
     QDialogButtonBox,
     QLabel,
     QListWidget,
+    QMessageBox,
     QPlainTextEdit,
     QProgressBar,
     QVBoxLayout,
@@ -142,9 +143,16 @@ class StepRunnerDialog(QDialog):
             self._on_success()
         self.finished_ok.emit(ok)
 
+    # The run is not left behind by Esc or the window's close either: a blocking caller would go
+    # on (and give up its locks) while the steps still change things.
+    def reject(self) -> None:
+        if not self._worker.isRunning():
+            super().reject()
+
     def closeEvent(self, event) -> None:  # noqa: N802 - Qt naming
         if self._worker.isRunning():
-            self._worker.wait(50)
+            event.ignore()
+            return
         super().closeEvent(event)
 
 
@@ -168,4 +176,27 @@ def run_steps_dialog(
     return dialog
 
 
-__all__ = ["StepRunnerDialog", "StepWorker", "run_steps_dialog"]
+def offer_unlock(parent: QWidget, error: BaseException | None) -> Callable[[], dict] | None:
+    """When `error` is, or was raised from, an `ms_env.Locked`, ask whether to remove that lock.
+    Returns what removes it, to be run off the GUI thread (it may go over ssh) before trying
+    again; nothing when the error is another or the user said no."""
+    from ms_env import Locked, unlock
+
+    while error is not None and not isinstance(error, Locked):
+        error = error.__cause__ or error.__context__
+    if error is None:
+        return None
+    owner, where = error.owner, error.host.address or "this machine"
+    asked = QMessageBox.question(
+        parent, "Environment locked",
+        f"{error.prefix} on {where} is being changed by {owner.get('client', 'an unknown client')} "
+        f"(pid {owner.get('pid', '?')}) since {owner.get('since', '?')}.\n\n"
+        "Remove the lock only if that client has stopped: two clients changing one environment break it.\n\n"
+        "Remove the lock and try again?",
+        QMessageBox.StandardButton.Yes | QMessageBox.StandardButton.No, QMessageBox.StandardButton.No)
+    if asked != QMessageBox.StandardButton.Yes:
+        return None
+    return lambda: unlock(error.prefix, error.host)
+
+
+__all__ = ["StepRunnerDialog", "StepWorker", "offer_unlock", "run_steps_dialog"]

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components/tool_panel.py

@@ -338,13 +338,13 @@ class ActionBar(ContentBar):
         if total:
             self.progress.setRange(0, int(total))
             self.progress.setValue(min(done, int(total)))
-            headline = f"{stage} — {format_count(done)} / {format_count(total)} {unit}"
+            headline = f"{stage} - {format_count(done)} / {format_count(total)} {unit}"
             if eta_seconds is None:
                 eta_seconds = self._estimate_eta(done, int(total))
             parts.append("Estimating time…" if eta_seconds is None else format_eta(eta_seconds))
         else:
             self.progress.setRange(0, 0)
-            headline = f"{stage} — {format_count(done)} {unit}"
+            headline = f"{stage} - {format_count(done)} {unit}"
         if detail:
             parts.append(detail)
         self._show(headline, " · ".join(parts), failures)

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ms_components
-Version: 0.5.2
+Version: 0.5.4
 Summary: PySide6 UI components for MolSuite: smart table, project browser, job monitor, PyMOL dock, steppers.
 Author: Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco
 License-Expression: MIT
@@ -25,7 +25,7 @@ Requires-Dist: ms_flow>=0.7.1; extra == "projects"
 Provides-Extra: pymol
 Requires-Dist: pymol-open-source>=3.2.0a0; extra == "pymol"
 Provides-Extra: steps
-Requires-Dist: ms_env>=0.3.3; extra == "steps"
+Requires-Dist: ms_env>=0.4.0; extra == "steps"
 Provides-Extra: table
 Requires-Dist: sqlmodel>=0.0.14; extra == "table"
 Provides-Extra: all

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components.egg-info/SOURCES.txt

@@ -62,6 +62,7 @@ src/ms_components/ms_pymol/icons/actions.svg
 src/ms_components/ms_pymol/icons/box.svg
 src/ms_components/ms_pymol/icons/center.svg
 src/ms_components/ms_pymol/icons/display.svg
+src/ms_components/ms_pymol/icons/export.svg
 src/ms_components/ms_pymol/icons/hide.svg
 src/ms_components/ms_pymol/icons/hydrogens-polar.svg
 src/ms_components/ms_pymol/icons/hydrogens.svg
@@ -69,6 +70,7 @@ src/ms_components/ms_pymol/icons/menu.svg
 src/ms_components/ms_pymol/icons/orient.svg
 src/ms_components/ms_pymol/icons/presets.svg
 src/ms_components/ms_pymol/icons/rock.svg
+src/ms_components/ms_pymol/icons/save.svg
 src/ms_components/ms_pymol/icons/selection.svg
 src/ms_components/ms_pymol/icons/settings.svg
 src/ms_components/ms_pymol/icons/style.svg

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components.egg-info/requires.txt

@@ -17,7 +17,7 @@ ms_flow>=0.7.1
 pymol-open-source>=3.2.0a0
 
 [steps]
-ms_env>=0.3.3
+ms_env>=0.4.0
 
 [table]
 sqlmodel>=0.0.14

{ms_components-0.5.2 → ms_components-0.5.4}/src/ms_components.egg-info/scm_file_list.json

@@ -54,6 +54,7 @@
     "src/ms_components/ms_pymol/icons/box.svg",
     "src/ms_components/ms_pymol/icons/center.svg",
     "src/ms_components/ms_pymol/icons/display.svg",
+    "src/ms_components/ms_pymol/icons/export.svg",
     "src/ms_components/ms_pymol/icons/hide.svg",
     "src/ms_components/ms_pymol/icons/hydrogens-polar.svg",
     "src/ms_components/ms_pymol/icons/hydrogens.svg",
@@ -61,6 +62,7 @@
     "src/ms_components/ms_pymol/icons/orient.svg",
     "src/ms_components/ms_pymol/icons/presets.svg",
     "src/ms_components/ms_pymol/icons/rock.svg",
+    "src/ms_components/ms_pymol/icons/save.svg",
     "src/ms_components/ms_pymol/icons/selection.svg",
     "src/ms_components/ms_pymol/icons/settings.svg",
     "src/ms_components/ms_pymol/icons/style.svg",