new_gui: manual sample creates a real DB entry via /sample/manual

Replace the GUI-local placeholder with the old GUI's flow: a dialog (custom name
+ optional unit cell) builds a SampleShortInfo(db_id=-1, ...) and posts it via
DAQWorker.sample_manual -> POST /sample/manual, so the backend creates the DB
entry, assigns the db_id and sets it as current sample. Cockpit then unlocks
locally with the new sample (no robot mount; sample already on the gonio).

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>

src/aare/gui/new_gui/README.md

@@ -26,8 +26,11 @@ panel — are **beam-path rails**: the completed length glows green and the acti
 station is a lavender focal bloom.
 
 **Manual sample:** if a sample is on the goniometer by hand (not in the DB), use
-**⊕ Manual sample on gonio** in the changer footer — it unlocks the cockpit
-without driving the robot (no `mount`/`unmount` calls).
+**⊕ Manual sample on gonio** in the changer footer. It opens a dialog (custom
+name + optional unit cell), then `POST /sample/manual` (`DAQWorker.sample_manual`)
+so the backend creates a DB entry, assigns a `db_id` and sets it as the current
+sample — mirroring the old GUI. No robot mount happens (the sample is already on
+the gonio); the cockpit unlocks locally with the new sample.
 
 **Offline dev mode:** with no server (`base_url is None`, e.g. `BEAMLINE=SIMULATED`
 and no `-u`), `dev_seed.py` injects a few fake samples + a synthetic live status +

src/aare/gui/new_gui/main_window.py

@@ -304,6 +304,8 @@ class MainWindow(QWidget):
         self.manual.xrf_scan_requested.connect(self._do_xrf)
         self.manual.raster_goto_requested.connect(self.daq.move_smargon)
         self.manual.bookmark_goto_requested.connect(self._on_bookmark_goto)
+        if hasattr(self.daq, "sample_manual"):
+            self.manual.manual_sample_requested.connect(self.daq.sample_manual)
         self.manual.status_message.connect(self._note)
         if hasattr(self.daq, "run_number_incremented"):
             self.daq.run_number_incremented.connect(

src/aare/gui/new_gui/manual_view.py

@@ -40,6 +40,7 @@ class ManualView(QWidget):
     xrf_scan_requested = Signal(object)        # FluorescenceSpectrumParameterModel
     raster_goto_requested = Signal(object)     # SmargonCoordinate (goto a grid)
     bookmark_goto_requested = Signal(object, float)   # SmargonCoordinate, omega_deg
+    manual_sample_requested = Signal(object)   # SampleShortInfo -> POST /sample/manual
     status_message = Signal(str)               # transient note to surface in UI
 
     def __init__(self, state: AppState, palette: Palette, defaults: dict, parent=None):
@@ -137,7 +138,7 @@ class ManualView(QWidget):
 
         # changer / mount CTAs
         self.changer.sample_selected.connect(s.mount_sample_obj)
-        self.changer.manual_mount_requested.connect(s.manual_mount)
+        self.changer.manual_mount_requested.connect(self._on_manual_mount)
         self.camera.mount_clicked.connect(s.open_picker)
 
         # pipeline interactions
@@ -311,6 +312,23 @@ class ManualView(QWidget):
             else:
                 self.status_message.emit("Grid has no stored position to go to.")
 
+    # -------------------------------------------------- manual sample
+    def _on_manual_mount(self) -> None:
+        from PySide6.QtWidgets import QDialog
+        from aare.gui.new_gui.widgets.manual_sample_dialog import ManualSampleDialog
+        pgroup = "p16371"
+        sess = getattr(self._last_status, "session", None)
+        if sess is not None:
+            pgroup = getattr(sess, "current_pgroup", None) or pgroup
+        dlg = ManualSampleDialog(self._p, pgroup, self)
+        if dlg.exec() != QDialog.Accepted:
+            return
+        sample = dlg.sample()
+        # Tell the backend to create the DB entry + set it as current sample,
+        # then unlock the cockpit locally with the new sample.
+        self.manual_sample_requested.emit(sample)
+        self._state.manual_mount(sample)
+
     # ----------------------------------------------------- bookmarks
     def _refresh_bookmark_bar(self) -> None:
         self.pipeline.bookmarks.set_bookmarks([b["label"] for b in self._bookmarks])

src/aare/gui/new_gui/widgets/manual_sample_dialog.py

@@ -0,0 +1,107 @@
+"""Create a manual sample — one a user placed on the goniometer by hand.
+
+Mirrors the old GUI's Manual Sample panel: a custom name (+ optional unit cell).
+On accept it yields a ``SampleShortInfo`` with ``db_id=-1``; the backend's
+``POST /sample/manual`` creates the DB entry, assigns the real id and makes it the
+current sample. No robot mount happens (the sample is already on the gonio).
+"""
+
+from __future__ import annotations
+
+from PySide6.QtWidgets import (
+    QCheckBox,
+    QDialog,
+    QDialogButtonBox,
+    QDoubleSpinBox,
+    QGridLayout,
+    QLabel,
+    QLineEdit,
+    QSpinBox,
+    QVBoxLayout,
+)
+
+from aare.common.models import SampleShortInfo
+from aare.gui.new_gui.theme import build_qss
+
+
+class ManualSampleDialog(QDialog):
+    def __init__(self, palette, pgroup: str = "p16371", parent=None):
+        super().__init__(parent)
+        self._pgroup = pgroup or "p16371"
+        self.setWindowTitle("Manual sample on goniometer")
+        self.setModal(True)
+        self.setStyleSheet(build_qss(palette))
+        self.setMinimumWidth(320)
+
+        root = QVBoxLayout(self)
+        intro = QLabel("Register a sample you placed on the goniometer by hand.")
+        intro.setWordWrap(True)
+        intro.setStyleSheet(f"color:{palette.text_muted}; font-size:12px;")
+        root.addWidget(intro)
+
+        grid = QGridLayout()
+        grid.setColumnStretch(1, 1)
+        grid.addWidget(QLabel("Name"), 0, 0)
+        self._name = QLineEdit("Lyso")
+        grid.addWidget(self._name, 0, 1, 1, 2)
+
+        self._unit_cell = QCheckBox("Provide unit cell")
+        grid.addWidget(self._unit_cell, 1, 1, 1, 2)
+
+        self._a = self._num(5, 1000, 39.0)
+        self._b = self._num(5, 1000, 78.0)
+        self._c = self._num(5, 1000, 78.0)
+        self._alpha = self._num(30, 330, 90.0)
+        self._beta = self._num(30, 330, 90.0)
+        self._gamma = self._num(30, 330, 90.0)
+        for row, (lbl, w, unit) in enumerate((
+            ("a", self._a, "Å"), ("b", self._b, "Å"), ("c", self._c, "Å"),
+            ("α", self._alpha, "°"), ("β", self._beta, "°"), ("γ", self._gamma, "°"),
+        ), start=2):
+            grid.addWidget(QLabel(lbl), row, 0)
+            grid.addWidget(w, row, 1)
+            grid.addWidget(QLabel(unit), row, 2)
+        grid.addWidget(QLabel("SG"), 8, 0)
+        self._sg = QSpinBox()
+        self._sg.setRange(1, 250)
+        self._sg.setValue(1)
+        grid.addWidget(self._sg, 8, 1)
+        root.addLayout(grid)
+
+        buttons = QDialogButtonBox(QDialogButtonBox.Ok | QDialogButtonBox.Cancel)
+        buttons.button(QDialogButtonBox.Ok).setText("Create + mount")
+        buttons.accepted.connect(self.accept)
+        buttons.rejected.connect(self.reject)
+        root.addWidget(buttons)
+
+        self._unit_cell.toggled.connect(self._toggle_cell)
+        self._toggle_cell(False)
+
+    def _num(self, lo: float, hi: float, val: float) -> QDoubleSpinBox:
+        s = QDoubleSpinBox()
+        s.setRange(lo, hi)
+        s.setDecimals(2)
+        s.setValue(val)
+        return s
+
+    def _toggle_cell(self, on: bool) -> None:
+        for w in (self._a, self._b, self._c, self._alpha, self._beta,
+                  self._gamma, self._sg):
+            w.setEnabled(on)
+
+    def sample(self) -> SampleShortInfo:
+        params = None
+        if self._unit_cell.isChecked():
+            from aareDB import DataCollectionParameters
+            params = DataCollectionParameters(
+                spacegroupnumber=int(self._sg.value()),
+                cellparameters=(
+                    f"{self._a.value():.2f} {self._b.value():.2f} "
+                    f"{self._c.value():.2f} {self._alpha.value():.2f} "
+                    f"{self._beta.value():.2f} {self._gamma.value():.2f}"),
+            )
+        return SampleShortInfo(
+            db_id=-1, puck_name="", dewar_name="",
+            sample_name=self._name.text().strip() or "Manual sample",
+            run_number=1, pin=1, aaredb_params=params, user=self._pgroup,
+        )