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Remove unused code
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MBartkowiakSTFC committed Feb 5, 2025
1 parent d65e73b commit b7b6336
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Showing 2 changed files with 3 additions and 119 deletions.
6 changes: 3 additions & 3 deletions MDANSE_GUI/Src/MDANSE_GUI/MolecularViewer/Controls.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,12 +30,12 @@
QColorDialog,
QGroupBox,
QCheckBox,
QStackedLayout,
QTabWidget,
)

from MDANSE_GUI.Tabs.Views.Delegates import ColourPicker, RadiusSpinBox
from MDANSE_GUI.MolecularViewer.MolecularViewer import MolecularViewer, TraceWidget
from MDANSE_GUI.MolecularViewer.MolecularViewer import MolecularViewer
from MDANSE_GUI.MolecularViewer.TraceWidget import TraceWidget

button_lookup = {
"start": QStyle.StandardPixmap.SP_MediaSkipBackward,
Expand Down Expand Up @@ -93,7 +93,7 @@
class ViewerControls(QWidget):
def __init__(self, *args, **kwargs):
super(QWidget, self).__init__(*args, **kwargs)
layout = QGridLayout(self)
_ = QGridLayout(self)
self._viewer = None
self._buttons = {}
self._delegates = {}
Expand Down
116 changes: 0 additions & 116 deletions MDANSE_GUI/Src/MDANSE_GUI/MolecularViewer/MolecularViewer.py
Original file line number Diff line number Diff line change
Expand Up @@ -22,12 +22,6 @@
from qtpy.QtCore import Signal, Slot
from qtpy.QtWidgets import (
QSizePolicy,
QDialog,
QFormLayout,
QPushButton,
QLineEdit,
QDoubleSpinBox,
QSpinBox,
)

import vtk
Expand All @@ -41,7 +35,6 @@
from MDANSE_GUI.MolecularViewer.readers import hdf5wrapper
from MDANSE_GUI.MolecularViewer.Dummy import PyConnectivity
from MDANSE_GUI.MolecularViewer.Contents import TrajectoryAtomData
from MDANSE_GUI.MolecularViewer.TraceWidget import TraceWidget
from MDANSE_GUI.MolecularViewer.AtomProperties import (
AtomProperties,
ndarray_to_vtkarray,
Expand Down Expand Up @@ -941,112 +934,3 @@ def take_atom_properties(self, data):
self._picked_polydata.GetPointData().SetScalars(scalars)

self.set_coordinates(self._current_frame)


class AtomTraceDialog(QDialog):

new_atom_trace = Signal(dict)
remove_atom_trace = Signal(int)

def __init__(self, parent):
super().__init__(parent)

self.setWindowTitle("Add atom trace to the view")
layout = QFormLayout(self)
self.setLayout(layout)

self._molviewer = parent
self.initialise_values(parent)
self.populate_layout()

def initialise_values(self, viewer: MolecularViewer):
self._n_atoms = viewer._n_atoms
self._opacity = 0.5
self._color = (0, 0.5, 0.75)
self._iso_percentile = 90

def populate_layout(self):
layout = self.layout()
self.add_trace_button = QPushButton("Calculate and add atom trace", self)
self.remove_trace_button = QPushButton("Remove atom trace", self)
self.add_trace_button.clicked.connect(self.new_trace_details)
self.remove_trace_button.clicked.connect(self.remove_trace)
self._atom_spinbox = QSpinBox(self)
self._surface_spinbox = QSpinBox(self)
self._fraction_spinbox = QSpinBox(self)
self._grid_spinbox = QSpinBox(self)
self._opacity_spinbox = QDoubleSpinBox(self)
self._colour_lineedit = QLineEdit("0,128,192", self)
for sbox in [
self._atom_spinbox,
self._surface_spinbox,
self._fraction_spinbox,
self._opacity_spinbox,
]:
sbox.setMinimum(0)
sbox.setValue(0)
self.update_limits()
self._fraction_spinbox.setMaximum(100)
self._fraction_spinbox.setValue(5)
self._grid_spinbox.setMaximum(10)
self._grid_spinbox.setMinimum(1)
self._grid_spinbox.setValue(3)
self._opacity_spinbox.setMaximum(1.0)
self._opacity_spinbox.setValue(0.5)
self._opacity_spinbox.setSingleStep(0.01)
layout.addRow("Selected atom index: ", self._atom_spinbox)
layout.addRow("Sampling step (1=coarse, 10=fine)", self._grid_spinbox)
layout.addRow("Trace percentile for isovalue", self._fraction_spinbox)
layout.addRow("Isosurface opacity", self._opacity_spinbox)
layout.addRow("Isosurface colour (R,G,B)", self._colour_lineedit)
layout.addWidget(self.add_trace_button)
layout.addRow("Remove the surface with index: ", self._surface_spinbox)
layout.addWidget(self.remove_trace_button)

@Slot()
def update_limits(self):
self._atom_spinbox.setMaximum(max(self._molviewer._n_atoms - 1, 0))
self._surface_spinbox.setMaximum(max(len(self._molviewer._surfaces) - 1, 0))
self.enable_buttons()

def enable_buttons(self):
if len(self._molviewer._surfaces) == 0:
self.remove_trace_button.setEnabled(False)
else:
self.remove_trace_button.setEnabled(True)
if self._molviewer._n_atoms < 1:
self.add_trace_button.setEnabled(False)
else:
self.add_trace_button.setEnabled(True)

def get_values(self):
params = {
"atom_number": 0,
"fine_sampling": 3,
"surface_colour": (0, 0.5, 0.75),
"surface_opacity": 0.5,
"trace_cutoff": 5,
"surface_number": -1,
}
params["atom_number"] = self._atom_spinbox.value()
params["surface_number"] = self._surface_spinbox.value()
try:
params["surface_colour"] = [
float(x) / 256 for x in self._colour_lineedit.text().split(",")
]
except ValueError:
pass
except TypeError:
pass
params["trace_cutoff"] = self._fraction_spinbox.value()
params["fine_sampling"] = self._grid_spinbox.value()
params["surface_opacity"] = self._opacity_spinbox.value()
return params

def new_trace_details(self):
params = self.get_values()
self.new_atom_trace.emit(params)

def remove_trace(self):
params = self.get_values()
self.remove_atom_trace.emit(params["surface_number"])

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