def FontSizeForWidth(self):
text = self.label.text()
textSize = len(text)
f = self.label.font()
metrics = QFontMetrics(f)
width = metrics.width(text)
myWidth = self.label.width()
size = 0
if width < myWidth:
direction = 1
else:
direction = -1
while (True):
f = QFont("Ariel", size + 1)
mf = QFontMetrics(f)
self.label.setFont(f)
width = mf.width(text)
if direction > 0:
if width >= myWidth:
break
else:
if width <= myWidth:
break
size = f.pointSize() + direction
return size
def restoreDefaults(self):
"""
restoreDefaults restore application defaults
"""
self.parent.ui.chkBoxRestoreWindowSize.setChecked(True)
self.parent.ui.chkBoxEnableLogging.setChecked(False)
if config.data.get(config.ConfigKey.JobHistory) is not None:
self.parent.ui.chkBoxEnableJobHistory.setChecked(False)
self.parent.ui.chkBoxEnableLogViewer.setChecked(False)
defaultFont = QFont()
defaultFont.fromString(config.data.get(config.ConfigKey.SystemFont))
self.parent.ui.fcmbBoxFontFamily.setCurrentFont(defaultFont.family())
self.parent.ui.spinBoxFontSize.setValue(defaultFont.pointSize())
if config.data.get(config.ConfigKey.Algorithm) is not None:
self.parent.radioButtons[config.ALGORITHMDEFAULT].setChecked(True)
def clickedButton(self, button):
"""
clickedButton deals with the final button clicked
Args:
button (QPushButton): buttons for the Preferences Dialog
"""
buttonRole = self.parent.ui.btnBox.buttonRole(button)
if buttonRole in [
QDialogButtonBox.AcceptRole, QDialogButtonBox.ResetRole
]:
if buttonRole == QDialogButtonBox.ResetRole:
self.parent.ui.chkBoxRestoreWindowSize.setChecked(True)
self.parent.ui.chkBoxEnableLogging.setChecked(False)
defaultFont = QFont()
defaultFont.fromString(
config.data.get(config.ConfigKey.SystemFont))
self.parent.ui.fcmbBoxFontFamily.setCurrentFont(
defaultFont.family())
self.parent.ui.spinBoxFontSize.setValue(
defaultFont.pointSize())
class NGL_HKLViewer(QWidget):
def __init__(self, parent=None):
super(NGL_HKLViewer, self).__init__(parent)
self.verbose = 0
self.UseOSbrowser = False
self.jscriptfname = ""
self.devmode = False
for e in sys.argv:
if "verbose" in e:
self.verbose = e.split("verbose=")[1]
if "UseOSbrowser" in e:
self.UseOSbrowser = e.split("UseOSbrowser=")[1]
if "jscriptfname" in e:
self.jscriptfname = e.split("jscriptfname=")[1]
if "devmode" in e:
self.devmode = True
self.zmq_context = None
self.bufsize = 20000
self.originalPalette = QApplication.palette()
self.openFileNameButton = QPushButton("Load reflection file")
self.openFileNameButton.setDefault(True)
self.openFileNameButton.clicked.connect(self.OpenReflectionsFile)
self.debugbutton = QPushButton("Debug")
self.debugbutton.clicked.connect(self.DebugInteractively)
self.settingsbtn = QPushButton("Settings")
self.settingsbtn.clicked.connect(self.SettingsDialog)
self.mousemoveslider = QSlider(Qt.Horizontal)
self.mousemoveslider.setMinimum(0)
self.mousemoveslider.setMaximum(300)
self.mousemoveslider.setValue(0)
self.mousemoveslider.sliderReleased.connect(
self.onFinalMouseSensitivity)
self.mousemoveslider.valueChanged.connect(self.onMouseSensitivity)
self.mousesensitxtbox = QLineEdit('')
self.mousesensitxtbox.setReadOnly(True)
self.fontspinBox = QDoubleSpinBox()
self.fontspinBox.setSingleStep(1)
self.fontspinBox.setRange(4, 50)
self.font = QFont()
self.font.setFamily(self.font.defaultFamily())
self.fontspinBox.setValue(self.font.pointSize())
#self.fontspinBox.setValue(self.font.pixelSize())
self.fontspinBox.valueChanged.connect(self.onFontsizeChanged)
self.Fontsize_labeltxt = QLabel()
self.Fontsize_labeltxt.setText("Font size:")
self.cameraPerspectCheckBox = QCheckBox()
self.cameraPerspectCheckBox.setText("Perspective camera")
self.cameraPerspectCheckBox.clicked.connect(self.onCameraPerspect)
self.cameraPerspectCheckBox.setCheckState(Qt.Unchecked)
self.settingsform = SettingsForm(self)
self.MillerComboBox = QComboBox()
self.MillerComboBox.activated.connect(self.onMillerComboSelchange)
#self.MillerComboBox.setSizeAdjustPolicy(QComboBox.AdjustToContents)
self.MillerLabel = QLabel()
self.MillerLabel.setText("Selected HKL Scene")
self.HKLnameedit = QLineEdit('')
self.HKLnameedit.setReadOnly(True)
self.textInfo = QTextEdit()
self.textInfo.setLineWrapMode(QTextEdit.NoWrap)
self.textInfo.setReadOnly(True)
labels = [
"Label", "Type", "no. of HKLs", "Span of HKLs", "Min Max data",
"Min Max sigmas", "d_min, d_max", "Symmetry unique", "Anomalous"
]
self.millertable = QTableWidget(0, len(labels))
self.millertable.setHorizontalHeaderLabels(labels)
self.millertable.horizontalHeader().setDefaultAlignment(Qt.AlignLeft)
# don't allow editing this table
self.millertable.setEditTriggers(QTableWidget.NoEditTriggers)
self.createExpansionBox()
self.createFileInfoBox()
self.CreateSliceTabs()
self.createRadiiScaleGroupBox()
self.createBinsBox()
self.CreateFunctionTabs()
mainLayout = QGridLayout()
mainLayout.addWidget(self.FileInfoBox, 0, 0)
mainLayout.addWidget(self.MillerLabel, 1, 0)
mainLayout.addWidget(self.MillerComboBox, 2, 0)
mainLayout.addWidget(self.functionTabWidget, 3, 0)
mainLayout.addWidget(self.settingsbtn, 4, 0, 1, 1)
#import code, traceback; code.interact(local=locals(), banner="".join( traceback.format_stack(limit=10) ) )
if self.UseOSbrowser == False:
self.BrowserBox = QWebEngineView()
mainLayout.addWidget(self.BrowserBox, 0, 1, 5, 3)
self.BrowserBox.setUrl("https://cctbx.github.io/")
#self.BrowserBox.setUrl("https://webglreport.com/")
#self.BrowserBox.loadFinished.connect(self.onLoadFinished)
mainLayout.setColumnStretch(2, 1)
mainLayout.setRowStretch(0, 1)
mainLayout.setRowStretch(1, 0)
mainLayout.setRowStretch(2, 1)
mainLayout.setRowStretch(3, 1)
mainLayout.setColumnStretch(4, 0)
self.setLayout(mainLayout)
self.setWindowTitle("HKL-Viewer")
self.cctbxproc = None
self.LaunchCCTBXPython()
self.out = None
self.err = None
self.comboviewwidth = 0
self.hklscenes_arrays = []
self.array_infotpls = []
self.matching_arrays = []
self.bin_infotpls = None
self.bin_opacities = None
self.html_url = ""
self.spacegroups = []
self.info = []
self.infostr = ""
self.fileisvalid = False
self.NewFileLoaded = False
self.NewHKLscenes = False
self.updatingNbins = False
self.binstableitemchanges = False
self.show()
def SettingsDialog(self):
self.settingsform.show()
def update(self):
if self.cctbxproc:
if self.cctbxproc.stdout:
print(self.cctbxproc.stdout.read().decode("utf-8"))
if self.cctbxproc.stderr:
print(self.cctbxproc.stderr.read().decode("utf-8"))
if self.out:
print(self.out.decode("utf-8"))
if self.err:
print(self.err.decode("utf-8"))
if self.zmq_context:
try:
msg = self.socket.recv(
flags=zmq.NOBLOCK
) #To empty the socket from previous messages
msgstr = msg.decode()
self.infodict = eval(msgstr)
#print("received from cctbx: " + str(self.infodict))
if self.infodict:
if self.infodict.get("hklscenes_arrays"):
self.hklscenes_arrays = self.infodict.get(
"hklscenes_arrays", [])
if self.infodict.get("array_infotpls"):
self.array_infotpls = self.infodict.get(
"array_infotpls", [])
if self.infodict.get("bin_data_label"):
self.BinDataComboBox.setCurrentText(
self.infodict["bin_data_label"])
if self.infodict.get("bin_infotpls"):
self.bin_infotpls = self.infodict["bin_infotpls"]
self.nbins = len(self.bin_infotpls)
self.updatingNbins = True
self.Nbins_spinBox.setValue(self.nbins)
self.updatingNbins = False
self.binstable.clearContents()
self.binstable.setRowCount(self.nbins)
for row, bin_infotpl in enumerate(self.bin_infotpls):
for col, elm in enumerate(bin_infotpl):
# only allow changing the last column with opacity values
if col != 3:
item = QTableWidgetItem(str(elm))
else:
item = QTableWidgetItem()
item.setFlags(Qt.ItemIsUserCheckable
| Qt.ItemIsEnabled)
item.setCheckState(Qt.Checked)
item.setFlags(item.flags() ^ Qt.ItemIsEditable)
self.binstable.setItem(row, col, item)
if self.bin_opacities:
self.update_table_opacities()
if self.infodict.get("bin_opacities"):
self.bin_opacities = self.infodict["bin_opacities"]
if self.binstable.rowCount() > 0:
self.update_table_opacities()
if self.infodict.get("html_url"):
self.html_url = self.infodict["html_url"]
if self.UseOSbrowser == False:
self.BrowserBox.setUrl(self.html_url)
# workaround for background colour bug in chromium
# https://bugreports.qt.io/browse/QTBUG-41960
self.BrowserBox.page().setBackgroundColor(
QColor(100, 100, 100, 1.0))
if self.infodict.get("spacegroups"):
self.spacegroups = self.infodict.get("spacegroups", [])
self.SpaceGroupComboBox.clear()
self.SpaceGroupComboBox.addItems(self.spacegroups)
if self.infodict.get("merge_data"):
self.mergedata = self.infodict["merge_data"]
currentinfostr = ""
if self.infodict.get("info"):
currentinfostr = self.infodict.get("info", [])
if self.infodict.get("NewFileLoaded"):
self.NewFileLoaded = self.infodict.get(
"NewFileLoaded", False)
if self.infodict.get("NewHKLscenes"):
self.NewHKLscenes = self.infodict.get(
"NewHKLscenes", False)
self.fileisvalid = True
#print("ngl_hkl_infodict: " + str(ngl_hkl_infodict))
if currentinfostr:
#print(currentinfostr)
self.infostr += currentinfostr + "\n"
# display no more than self.bufsize bytes of text
self.infostr = self.infostr[-self.bufsize:]
self.textInfo.setPlainText(self.infostr)
self.textInfo.verticalScrollBar().setValue(
self.textInfo.verticalScrollBar().maximum())
if self.NewFileLoaded and self.NewHKLscenes:
#if self.mergedata == True : val = Qt.CheckState.Checked
#if self.mergedata == None : val = Qt.CheckState.PartiallyChecked
#if self.mergedata == False : val = Qt.CheckState.Unchecked
#self.mergecheckbox.setCheckState(val )
#print("got hklscenes: " + str(self.hklscenes_arrays))
self.MillerComboBox.clear()
self.MillerComboBox.addItems(
[e[3] for e in self.hklscenes_arrays])
self.MillerComboBox.setCurrentIndex(
-1) # unselect the first item in the list
self.comboviewwidth = 0
for e in self.hklscenes_arrays:
self.comboviewwidth = max(
self.comboviewwidth,
self.MillerComboBox.fontMetrics().width(e[3]))
self.MillerComboBox.view().setMinimumWidth(
self.comboviewwidth)
self.millertable.clearContents()
self.millertable.setRowCount(len(
self.hklscenes_arrays))
for n, millarr in enumerate(self.array_infotpls):
for m, elm in enumerate(millarr):
self.millertable.setItem(
n, m, QTableWidgetItem(str(elm)))
self.functionTabWidget.setDisabled(True)
self.NewFileLoaded = False
if self.NewHKLscenes:
self.BinDataComboBox.clear()
self.BinDataComboBox.addItems(
["Resolution"] +
[e[3] for e in self.hklscenes_arrays])
self.BinDataComboBox.view().setMinimumWidth(
self.comboviewwidth)
#self.BinDataComboBox.setCurrentIndex(-1) # unselect the first item in the list
self.NewHKLscenes = False
except Exception as e:
errmsg = str(e)
if "Resource temporarily unavailable" not in errmsg:
print(errmsg + traceback.format_exc(limit=10))
pass
def onFinalMouseSensitivity(self):
val = self.mousemoveslider.value() / 100.0
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.NGL.mouse_sensitivity = %f' % val)
def onMouseSensitivity(self):
val = self.mousemoveslider.value() / 100.0
self.mousesensitxtbox.setText("%2.2f" % val)
def onFontsizeChanged(self, val):
font = app.font()
font.setPointSize(val)
app.setFont(font)
self.settingsform.setFixedSize(self.settingsform.sizeHint())
def onCameraPerspect(self, val):
if self.cameraPerspectCheckBox.isChecked():
self.NGL_HKL_command("NGL_HKLviewer.camera_type = perspective")
else:
self.NGL_HKL_command("NGL_HKLviewer.camera_type = orthographic")
def MergeData(self):
if self.mergecheckbox.checkState() == Qt.CheckState.Checked:
self.NGL_HKL_command('NGL_HKLviewer.mergedata = True')
if self.mergecheckbox.checkState() == Qt.CheckState.PartiallyChecked:
self.NGL_HKL_command('NGL_HKLviewer.mergedata = None')
if self.mergecheckbox.checkState() == Qt.CheckState.Unchecked:
self.NGL_HKL_command('NGL_HKLviewer.mergedata = False')
def ExpandToP1(self):
if self.expandP1checkbox.isChecked():
self.NGL_HKL_command('NGL_HKLviewer.viewer.expand_to_p1 = True')
else:
self.NGL_HKL_command('NGL_HKLviewer.viewer.expand_to_p1 = False')
def ExpandAnomalous(self):
if self.expandAnomalouscheckbox.isChecked():
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.expand_anomalous = True')
else:
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.expand_anomalous = False')
def showSysAbsent(self):
if self.sysabsentcheckbox.isChecked():
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.show_systematic_absences = True')
else:
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.show_systematic_absences = False')
def showMissing(self):
if self.missingcheckbox.isChecked():
self.NGL_HKL_command('NGL_HKLviewer.viewer.show_missing = True')
else:
self.NGL_HKL_command('NGL_HKLviewer.viewer.show_missing = False')
def showOnlyMissing(self):
if self.onlymissingcheckbox.isChecked():
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.show_only_missing = True')
else:
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.show_only_missing = False')
def showSlice(self):
if self.showslicecheckbox.isChecked():
self.NGL_HKL_command('NGL_HKLviewer.viewer.slice_mode = True')
if self.expandP1checkbox.isChecked():
self.NGL_HKL_command("""NGL_HKLviewer.viewer {
expand_to_p1 = True
inbrowser = False
}
""")
if self.expandAnomalouscheckbox.isChecked():
self.NGL_HKL_command("""NGL_HKLviewer.viewer {
expand_anomalous = True
inbrowser = False
}
""")
else:
self.NGL_HKL_command("""NGL_HKLviewer.viewer {
slice_mode = False
inbrowser = True
}
""")
def onSliceComboSelchange(self, i):
rmin = self.array_infotpls[self.MillerComboBox.currentIndex()][3][0][i]
rmax = self.array_infotpls[self.MillerComboBox.currentIndex()][3][1][i]
self.sliceindexspinBox.setRange(rmin, rmax)
self.NGL_HKL_command("NGL_HKLviewer.viewer.slice_axis = %s" %
self.sliceaxis[i])
def onSliceIndexChanged(self, val):
self.sliceindex = val
self.NGL_HKL_command("NGL_HKLviewer.viewer.slice_index = %d" %
self.sliceindex)
def onBindataComboSelchange(self, i):
if self.BinDataComboBox.currentText():
if self.BinDataComboBox.currentIndex() > 0:
bin_scene_label = str(self.BinDataComboBox.currentIndex() - 1)
else:
bin_scene_label = "Resolution"
self.NGL_HKL_command("NGL_HKLviewer.bin_scene_label = %s" %
bin_scene_label)
def update_table_opacities(self, allalpha=None):
bin_opacitieslst = eval(self.bin_opacities)
self.binstable_isready = False
for binopacity in bin_opacitieslst:
if not allalpha:
alpha = float(binopacity.split(",")[0])
else:
alpha = allalpha
bin = int(binopacity.split(",")[1])
item = QTableWidgetItem()
item.setFlags(Qt.ItemIsUserCheckable | Qt.ItemIsEnabled)
if alpha < 0.5:
item.setCheckState(Qt.Unchecked)
else:
item.setCheckState(Qt.Checked)
item.setFlags(item.flags() ^ Qt.ItemIsEditable)
self.binstable.setItem(bin, 3, item)
self.binstable_isready = True
def SetOpaqueAll(self):
if self.binstableitemchanges:
return
bin_opacitieslst = eval(self.bin_opacities)
nbins = len(bin_opacitieslst)
sum = 0
for binopacity in bin_opacitieslst:
sum += float(binopacity.split(",")[0])
if sum >= nbins:
self.OpaqueAllCheckbox.setCheckState(Qt.Checked)
if sum == 0:
self.OpaqueAllCheckbox.setCheckState(Qt.Unchecked)
if sum > 0.0 and sum < nbins:
self.OpaqueAllCheckbox.setCheckState(Qt.PartiallyChecked)
def onBinsTableItemChanged(self, item):
row = item.row()
column = item.column()
try:
if item.checkState() == Qt.Unchecked:
newval = 0
else:
newval = 1.0
if column == 3 and self.binstable_isready: # changing opacity
assert (newval <= 1.0 and newval >= 0.0)
bin_opacitieslst = eval(self.bin_opacities)
bin_opacitieslst[row] = str(newval) + ', ' + str(row)
self.bin_opacities = str(bin_opacitieslst)
self.SetOpaqueAll()
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.NGL.bin_opacities = "%s"' %
self.bin_opacities)
except Exception as e:
print(str(e))
#self.binstable.currentItem().setText( self.currentSelectedBinsTableVal)
def onBinsTableItemSelectionChanged(self):
row = self.binstable.currentItem().row()
column = self.binstable.currentItem().column()
self.currentSelectedBinsTableVal = self.binstable.currentItem().text()
#print( "in itemSelectionChanged " + self.currentSelectedBinsTableVal)
def onOpaqueAll(self):
self.binstableitemchanges = True
bin_opacitieslst = eval(self.bin_opacities)
nbins = len(bin_opacitieslst)
bin_opacitieslst = []
self.binstable_isready = False
if self.OpaqueAllCheckbox.isChecked():
for i in range(nbins):
bin_opacitieslst.append("1.0, %d" % i)
else:
for i in range(nbins):
bin_opacitieslst.append("0.0, %d" % i)
self.bin_opacities = str(bin_opacitieslst)
self.NGL_HKL_command('NGL_HKLviewer.viewer.NGL.bin_opacities = "%s"' %
self.bin_opacities)
self.binstableitemchanges = False
self.binstable_isready = True
"""
def onLoadFinished(self, val):
pass
#print("web page finished loading now")
def onBinsTableitemActivated(self, item):
row = item.row()
column = item.column()
currentval = item.text()
#print( "in itemActivated " + currentval)
def onBinsTableCellentered(self, row, col):
pass
#print( "in Cellentered " + self.binstable.currentItem().text() )
def onBinsTableCellPressed(self, row, col):
pass
#print( "in CellPressed " + self.binstable.currentItem().text() )
"""
def onNbinsChanged(self, val):
self.nbins = val
if not self.updatingNbins: # avoid possible endless loop to cctbx
self.NGL_HKL_command("NGL_HKLviewer.nbins = %d" % self.nbins)
def onRadiiScaleChanged(self, val):
self.radii_scale = val
self.NGL_HKL_command("""
NGL_HKLviewer.viewer {
nth_power_scale_radii = %f
scale = %f
}
""" % (self.nth_power_scale, self.radii_scale))
def onPowerScaleChanged(self, val):
self.nth_power_scale = val
self.NGL_HKL_command("""
NGL_HKLviewer.viewer {
nth_power_scale_radii = %f
scale = %f
}
""" % (self.nth_power_scale, self.radii_scale))
def onManualPowerScale(self):
if self.ManualPowerScalecheckbox.isChecked():
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.nth_power_scale_radii = %f' %
self.nth_power_scale)
self.power_scale_spinBox.setEnabled(True)
else:
self.NGL_HKL_command(
'NGL_HKLviewer.viewer.nth_power_scale_radii = -1.0')
self.power_scale_spinBox.setEnabled(False)
self.nth_power_scale = -1.0
def OpenReflectionsFile(self):
options = QFileDialog.Options()
fileName, filtr = QFileDialog.getOpenFileName(
self, "Load reflections file", "",
"All Files (*);;MTZ Files (*.mtz);;CIF (*.cif)", "", options)
if fileName:
self.HKLnameedit.setText(fileName)
#self.infostr = ""
self.textInfo.setPlainText("")
self.fileisvalid = False
self.NGL_HKL_command('NGL_HKLviewer.filename = "%s"' % fileName)
self.MillerComboBox.clear()
self.BinDataComboBox.clear()
def createExpansionBox(self):
self.SpaceGroupComboBox = QComboBox()
self.SpaceGroupComboBox.activated.connect(self.SpacegroupSelchange)
self.SpacegroupLabel = QLabel()
self.SpacegroupLabel.setText("Space Subgroups")
self.mergecheckbox = QCheckBox()
self.mergecheckbox.setText("Merge data")
#self.mergecheckbox.setTristate (True)
self.mergecheckbox.clicked.connect(self.MergeData)
self.expandP1checkbox = QCheckBox()
self.expandP1checkbox.setText("Expand to P1")
self.expandP1checkbox.clicked.connect(self.ExpandToP1)
self.expandAnomalouscheckbox = QCheckBox()
self.expandAnomalouscheckbox.setText("Show Friedel pairs")
self.expandAnomalouscheckbox.clicked.connect(self.ExpandAnomalous)
self.sysabsentcheckbox = QCheckBox()
self.sysabsentcheckbox.setText("Show Systematic Absences")
self.sysabsentcheckbox.clicked.connect(self.showSysAbsent)
self.missingcheckbox = QCheckBox()
self.missingcheckbox.setText("Show Missing")
self.missingcheckbox.clicked.connect(self.showMissing)
self.onlymissingcheckbox = QCheckBox()
self.onlymissingcheckbox.setText("Only Show Missing")
self.onlymissingcheckbox.clicked.connect(self.showOnlyMissing)
self.ExpansionBox = QGroupBox("Expansions")
layout = QGridLayout()
layout.addWidget(self.SpacegroupLabel, 0, 0)
layout.addWidget(self.SpaceGroupComboBox, 0, 1)
#layout.addWidget(self.mergecheckbox, 1, 0)
layout.addWidget(self.expandP1checkbox, 1, 0)
layout.addWidget(self.expandAnomalouscheckbox, 1, 1)
layout.addWidget(self.sysabsentcheckbox, 2, 0)
layout.addWidget(self.missingcheckbox, 3, 0)
layout.addWidget(self.onlymissingcheckbox, 3, 1)
layout.setRowStretch(0, 0)
layout.setRowStretch(1, 0)
layout.setRowStretch(2, 0)
layout.setRowStretch(3, 1)
self.ExpansionBox.setLayout(layout)
def CreateSliceTabs(self):
self.showslicecheckbox = QCheckBox()
self.showslicecheckbox.setText("Show Slice")
self.showslicecheckbox.clicked.connect(self.showSlice)
self.sliceindexspinBox = QDoubleSpinBox()
self.sliceindex = 0
self.sliceindexspinBox.setValue(self.sliceindex)
self.sliceindexspinBox.setDecimals(0)
self.sliceindexspinBox.setSingleStep(1)
self.sliceindexspinBox.setRange(0, 20)
self.sliceindexspinBox.valueChanged.connect(self.onSliceIndexChanged)
self.SliceLabelComboBox = QComboBox()
self.SliceLabelComboBox.activated.connect(self.onSliceComboSelchange)
self.sliceaxis = ["h", "k", "l"]
self.SliceLabelComboBox.addItems(self.sliceaxis)
self.sliceTabWidget = QTabWidget()
tab1 = QWidget()
layout1 = QGridLayout()
layout1.addWidget(self.showslicecheckbox, 0, 0, 1, 1)
layout1.addWidget(self.SliceLabelComboBox, 0, 1, 1, 1)
layout1.addWidget(self.sliceindexspinBox, 0, 2, 1, 1)
tab1.setLayout(layout1)
tab2 = QWidget()
layout2 = QGridLayout()
self.hvec_spinBox = QDoubleSpinBox(self.sliceTabWidget)
self.hvecval = 2.0
self.hvec_spinBox.setValue(self.hvecval)
self.hvec_spinBox.setDecimals(2)
self.hvec_spinBox.setSingleStep(0.5)
self.hvec_spinBox.setRange(-100.0, 10.0)
self.hvec_spinBox.valueChanged.connect(self.onHvecChanged)
self.hvec_Label = QLabel()
self.hvec_Label.setText("H")
layout2.addWidget(self.hvec_Label, 0, 0, 1, 1)
layout2.addWidget(self.hvec_spinBox, 0, 1, 1, 1)
self.kvec_spinBox = QDoubleSpinBox(self.sliceTabWidget)
self.kvecval = 0.0
self.kvec_spinBox.setValue(self.kvecval)
self.kvec_spinBox.setDecimals(2)
self.kvec_spinBox.setSingleStep(0.5)
self.kvec_spinBox.setRange(-100.0, 100.0)
self.kvec_spinBox.valueChanged.connect(self.onKvecChanged)
self.kvec_Label = QLabel()
self.kvec_Label.setText("K")
layout2.addWidget(self.kvec_Label, 1, 0, 1, 1)
layout2.addWidget(self.kvec_spinBox, 1, 1, 1, 1)
self.lvec_spinBox = QDoubleSpinBox(self.sliceTabWidget)
self.lvecval = 0.0
self.lvec_spinBox.setValue(self.lvecval)
self.lvec_spinBox.setDecimals(2)
self.lvec_spinBox.setSingleStep(0.5)
self.lvec_spinBox.setRange(-100.0, 100.0)
self.lvec_spinBox.valueChanged.connect(self.onLvecChanged)
self.lvec_Label = QLabel()
self.lvec_Label.setText("L")
layout2.addWidget(self.lvec_Label, 2, 0, 1, 1)
layout2.addWidget(self.lvec_spinBox, 2, 1, 1, 1)
self.hkldist_spinBox = QDoubleSpinBox(self.sliceTabWidget)
self.hkldistval = 0.0
self.hkldist_spinBox.setValue(self.hkldistval)
self.hkldist_spinBox.setDecimals(2)
self.hkldist_spinBox.setSingleStep(0.5)
self.hkldist_spinBox.setRange(-100.0, 100.0)
self.hkldist_spinBox.valueChanged.connect(self.onHKLdistChanged)
self.hkldist_Label = QLabel()
self.hkldist_Label.setText("Distance from Origin")
layout2.addWidget(self.hkldist_Label, 3, 0, 1, 1)
layout2.addWidget(self.hkldist_spinBox, 3, 1, 1, 1)
self.clipwidth_spinBox = QDoubleSpinBox(self.sliceTabWidget)
self.clipwidthval = 0.5
self.clipwidth_spinBox.setValue(self.clipwidthval)
self.clipwidth_spinBox.setDecimals(2)
self.clipwidth_spinBox.setSingleStep(0.05)
self.clipwidth_spinBox.setRange(0.0, 100.0)
self.clipwidth_spinBox.valueChanged.connect(self.onClipwidthChanged)
self.clipwidth_Label = QLabel()
self.clipwidth_Label.setText("Clip Plane Width")
layout2.addWidget(self.clipwidth_Label, 4, 0, 1, 1)
layout2.addWidget(self.clipwidth_spinBox, 4, 1, 1, 1)
self.ClipBox = QGroupBox("Normal Vector to Clip Plane")
self.ClipBox.setLayout(layout2)
layout3 = QGridLayout()
self.ClipPlaneChkBox = QCheckBox(self.sliceTabWidget)
self.ClipPlaneChkBox.setText(
"Use clip plane normal to HKL vector pointing out")
self.ClipPlaneChkBox.clicked.connect(self.onClipPlaneChkBox)
layout3.addWidget(self.ClipPlaneChkBox, 0, 0)
layout3.addWidget(self.ClipBox, 1, 0)
tab2.setLayout(layout3)
self.sliceTabWidget.addTab(tab1, "Explicit Slicing")
self.sliceTabWidget.addTab(tab2, "Clip Plane Slicing")
self.ClipBox.setDisabled(True)
def onClipPlaneChkBox(self):
if self.ClipPlaneChkBox.isChecked():
self.ClipBox.setDisabled(False)
philstr = """NGL_HKLviewer.normal_clip_plane {
h = %s
k = %s
l = %s
hkldist = %s
clipwidth = %s
}
NGL_HKLviewer.viewer.NGL.fixorientation = %s
""" %(self.hvecval, self.kvecval, self.lvecval, self.hkldistval, self.clipwidthval, \
str(self.fixedorientcheckbox.isChecked()) )
self.NGL_HKL_command(philstr)
else:
self.ClipBox.setDisabled(True)
self.NGL_HKL_command(
"NGL_HKLviewer.normal_clip_plane.clipwidth = None")
def onClipwidthChanged(self, val):
self.clipwidthval = val
self.NGL_HKL_command("NGL_HKLviewer.normal_clip_plane.clipwidth = %f" %
self.clipwidthval)
def onHKLdistChanged(self, val):
self.hkldistval = val
self.NGL_HKL_command("NGL_HKLviewer.normal_clip_plane.hkldist = %f" %
self.hkldistval)
def onHvecChanged(self, val):
self.hvecval = val
self.NGL_HKL_command("NGL_HKLviewer.normal_clip_plane.h = %f" %
self.hvecval)
def onKvecChanged(self, val):
self.kvecval = val
self.NGL_HKL_command("NGL_HKLviewer.normal_clip_plane.k = %f" %
self.kvecval)
def onLvecChanged(self, val):
self.lvecval = val
self.NGL_HKL_command("NGL_HKLviewer.normal_clip_plane.l = %f" %
self.lvecval)
def onFixedorient(self):
self.NGL_HKL_command('NGL_HKLviewer.viewer.NGL.fixorientation = %s' \
%str(self.fixedorientcheckbox.isChecked()))
def onMillerComboSelchange(self, i):
self.NGL_HKL_command("NGL_HKLviewer.scene_id = %d" % i)
#self.MillerComboBox.setCurrentIndex(i)
if self.MillerComboBox.currentText():
self.functionTabWidget.setEnabled(True)
self.expandAnomalouscheckbox.setEnabled(True)
# don' allow anomalous expansion for data that's already anomalous
for arrayinfo in self.array_infotpls:
isanomalous = arrayinfo[-1]
label = arrayinfo[0]
if isanomalous and label == self.MillerComboBox.currentText(
)[:len(label)]:
self.expandAnomalouscheckbox.setDisabled(True)
else:
self.functionTabWidget.setDisabled(True)
self.SpaceGroupComboBox.clear()
self.SpaceGroupComboBox.addItems(self.spacegroups)
# need to supply issymunique flag in infotuple
#if self.hklscenes_arrays[ i ][6] == 0:
# self.mergecheckbox.setEnabled(True)
#else:
# self.mergecheckbox.setEnabled(False)
def createFileInfoBox(self):
self.FileInfoBox = QGroupBox("Reflection File Information")
layout = QGridLayout()
layout.addWidget(self.openFileNameButton, 0, 0, 1, 2)
if self.devmode:
layout.addWidget(self.debugbutton, 0, 2, 1, 1)
layout.addWidget(self.HKLnameedit, 1, 0, 1, 3)
layout.addWidget(self.millertable, 2, 0, 1, 3)
layout.addWidget(self.textInfo, 3, 0, 1, 3)
#layout.setColumnStretch(1, 2)
self.FileInfoBox.setLayout(layout)
def createRadiiScaleGroupBox(self):
self.RadiiScaleGroupBox = QGroupBox("Radii Size of HKL Spheres")
self.ManualPowerScalecheckbox = QCheckBox()
self.ManualPowerScalecheckbox.setText(
"Manual Power Scaling of Sphere Radii")
self.ManualPowerScalecheckbox.clicked.connect(self.onManualPowerScale)
self.power_scale_spinBox = QDoubleSpinBox(self.RadiiScaleGroupBox)
self.nth_power_scale = 0.5
self.power_scale_spinBox.setValue(self.nth_power_scale)
self.power_scale_spinBox.setDecimals(2)
self.power_scale_spinBox.setSingleStep(0.05)
self.power_scale_spinBox.setRange(0.0, 1.0)
self.power_scale_spinBox.valueChanged.connect(self.onPowerScaleChanged)
self.power_scale_spinBox.setEnabled(False)
self.powerscaleLabel = QLabel()
self.powerscaleLabel.setText("Power scale Factor")
self.radii_scale_spinBox = QDoubleSpinBox(self.RadiiScaleGroupBox)
self.radii_scale = 1.0
self.radii_scale_spinBox.setValue(self.radii_scale)
self.radii_scale_spinBox.setDecimals(1)
self.radii_scale_spinBox.setSingleStep(0.1)
self.radii_scale_spinBox.setRange(0.2, 2.0)
self.radii_scale_spinBox.valueChanged.connect(self.onRadiiScaleChanged)
self.radiiscaleLabel = QLabel()
self.radiiscaleLabel.setText("Linear Scale Factor")
layout = QGridLayout()
layout.addWidget(self.ManualPowerScalecheckbox, 1, 0, 1, 2)
layout.addWidget(self.powerscaleLabel, 2, 0, 1, 2)
layout.addWidget(self.power_scale_spinBox, 2, 1, 1, 2)
layout.addWidget(self.radiiscaleLabel, 3, 0, 1, 2)
layout.addWidget(self.radii_scale_spinBox, 3, 1, 1, 2)
layout.setColumnStretch(0, 1)
layout.setColumnStretch(1, 0)
self.RadiiScaleGroupBox.setLayout(layout)
def createBinsBox(self):
self.binstable = QTableWidget(0, 4)
self.binstable_isready = False
labels = [
"no. of HKLs", "lower bin value", "upper bin value", "opacity"
]
self.binstable.setHorizontalHeaderLabels(labels)
self.binstable.horizontalHeader().setDefaultAlignment(Qt.AlignLeft)
self.bindata_labeltxt = QLabel()
self.bindata_labeltxt.setText("Data binned:")
self.Nbins_spinBox = QSpinBox()
self.Nbins_spinBox.setSingleStep(1)
self.Nbins_spinBox.setRange(1, 40)
self.Nbins_spinBox.valueChanged.connect(self.onNbinsChanged)
self.Nbins_labeltxt = QLabel()
self.Nbins_labeltxt.setText("Number of bins:")
self.OpaqueAllCheckbox = QCheckBox()
#self.OpaqueAllCheckbox.setTristate()
self.OpaqueAllCheckbox.setText("Show all data in bins")
self.OpaqueAllCheckbox.clicked.connect(self.onOpaqueAll)
self.binstable.itemChanged.connect(self.onBinsTableItemChanged)
self.binstable.itemSelectionChanged.connect(
self.onBinsTableItemSelectionChanged)
self.BinDataComboBox = QComboBox()
self.BinDataComboBox.activated.connect(self.onBindataComboSelchange)
self.BinsGroupBox = QGroupBox("Bins")
layout = QGridLayout()
layout.addWidget(self.bindata_labeltxt, 0, 0)
layout.addWidget(self.BinDataComboBox, 0, 1)
layout.addWidget(self.Nbins_labeltxt, 0, 2)
layout.addWidget(self.Nbins_spinBox, 0, 3)
layout.addWidget(self.OpaqueAllCheckbox, 1, 2)
layout.addWidget(self.binstable, 2, 0, 1, 4)
layout.setColumnStretch(0, 0)
layout.setColumnStretch(1, 2)
layout.setColumnStretch(3, 1)
self.BinsGroupBox.setLayout(layout)
def DebugInteractively(self):
import code, traceback
code.interact(local=locals(),
banner="".join(traceback.format_stack(limit=10)))
def CreateFunctionTabs(self):
self.functionTabWidget = QTabWidget()
tab1 = QWidget()
layout1 = QGridLayout()
layout1.addWidget(self.ExpansionBox, 0, 0)
layout1.setRowStretch(0, 0)
tab1.setLayout(layout1)
tab2 = QWidget()
layout2 = QGridLayout()
self.fixedorientcheckbox = QCheckBox(self.sliceTabWidget)
self.fixedorientcheckbox.setText(
"Fix orientation but allow zoom and translation")
self.fixedorientcheckbox.clicked.connect(self.onFixedorient)
layout2.addWidget(self.fixedorientcheckbox, 0, 0)
layout2.addWidget(self.sliceTabWidget, 1, 0)
tab2.setLayout(layout2)
tab3 = QWidget()
layout3 = QGridLayout()
layout3.addWidget(self.RadiiScaleGroupBox, 0, 0)
tab3.setLayout(layout3)
tab4 = QWidget()
layout4 = QGridLayout()
layout4.addWidget(self.BinsGroupBox, 0, 0)
tab4.setLayout(layout4)
self.functionTabWidget.addTab(tab1, "Expand")
self.functionTabWidget.addTab(tab2, "Slice")
self.functionTabWidget.addTab(tab3, "Size")
self.functionTabWidget.addTab(tab4, "Bins")
self.functionTabWidget.setDisabled(True)
def SpacegroupSelchange(self, i):
self.NGL_HKL_command("NGL_HKLviewer.spacegroup_choice = %d" % i)
def find_free_port(self):
import socket
s = socket.socket()
s.bind(('', 0)) # Bind to a free port provided by the host.
port = s.getsockname()[1]
s.close()
return port
def LaunchCCTBXPython(self):
self.sockport = self.find_free_port()
self.zmq_context = zmq.Context()
self.socket = self.zmq_context.socket(zmq.PAIR)
self.socket.bind("tcp://127.0.0.1:%s" % self.sockport)
try:
msg = self.socket.recv(
flags=zmq.NOBLOCK) #To empty the socket from previous messages
except Exception as e:
pass
cmdargs = 'cctbx.python.bat -i -c "from crys3d.hklview import cmdlineframes;' \
+ ' myHKLview = cmdlineframes.HKLViewFrame(useGuiSocket=%s, high_quality=True,' %self.sockport \
+ ' jscriptfname = \'%s\', ' %self.jscriptfname \
+ ' verbose=%s, UseOSBrowser= %s )"\n' %(self.verbose, str(self.UseOSbrowser))
self.cctbxproc = subprocess.Popen(cmdargs,
shell=True,
stdin=subprocess.PIPE,
stdout=sys.stdout,
stderr=sys.stderr)
#time.sleep(1)
def NGL_HKL_command(self, cmdstr):
#print("sending:\n" + cmdstr)
self.socket.send(bytes(cmdstr, "utf-8"))
def _feedback_font_size(self, font: QFont):
size = font.pointSize()
self.size_input.setText(str(size))
family = font.family()
if family in self._fonts:
self.family_menu.setCurrentIndex(self._fonts[family])
def change_font(self, name):
"""Changes the font used throughout the application.
Currently triggered via a menu action.
name: Used to specify whether the font should be resized or
changed to a different font family.
"""
# Get the context.
if name == "":
# Case 1: Default Change Font menu option.
ok, f = QFontDialog.getFont(self.window)
start = False
elif name == "+" or name == "-":
# Case 2: Increase/Decrease font size menu option.
f = self.ui.table_PS.font()
f_size = f.pointSize() + 2 if name == "+" else f.pointSize() - 2
f = f.toString().split(",")[0]
f = QFont(f, f_size)
ok, start = True, False
else:
if type(name) == str:
# Case 3.1: Init with pref.json
f = name.split("%")
f = QFont(f[0], int(f[1]))
else:
# Case 3.2: Init without pref.json (first launch).
f = name
ok, start = True, True
if ok:
# Change the font for everything (within reason).
self.font = f
new_font = f
big_font = QFont(f.toString().split(",")[0], f.pointSize() + 6)
# self.ui.tabs.setFont(new_font)
# PS tab
self.ui.table_PS.setFont(new_font)
self.ui.table_PS.horizontalHeader().setFont(new_font)
self.ui.text_browser_PS.setFont(big_font)
self.ui.refresh_pch_btn.setFont(new_font)
self.ui.btn_dwn_all.setFont(new_font)
# Local tab
self.ui.table_local.setFont(new_font)
self.ui.table_local.horizontalHeader().setFont(new_font)
self.ui.text_browser_local.setFont(big_font)
self.ui.back_btn_local.setFont(new_font)
self.ui.check_for_updates_btn.setFont(new_font)
self.ui.update_patch_notes.setFont(new_font)
self.ui.btn_show_routing.setFont(new_font)
self.ui.page_label.setFont(new_font)
self.ui.back_btn.setFont(new_font)
self.ui.btn_next_page.setFont(new_font)
self.ui.btn_prev_page.setFont(new_font)
# SD tab
self.ui.sd_tree.setFont(new_font)
self.ui.table_sd_left.setFont(new_font)
self.ui.table_sd_left.horizontalHeader().setFont(new_font)
self.ui.table_sd_left.verticalHeader().setFont(new_font)
self.ui.table_sd_right.setFont(new_font)
self.ui.table_sd_right.horizontalHeader().setFont(new_font)
self.ui.table_sd_right.verticalHeader().setFont(new_font)
self.ui.delete_folder_sd_btn.setFont(new_font)
self.ui.set_export_dir_btn.setFont(new_font)
self.ui.import_all_btn.setFont(new_font)
self.ui.import_all_ver_btn.setFont(new_font)
# Folders tab
self.ui.table_bank_local.setFont(new_font)
self.ui.table_bank_local.horizontalHeader().setFont(new_font)
self.ui.table_bank_left.setFont(new_font)
self.ui.text_browser_viz.setFont(new_font)
self.ui.table_bank_left.horizontalHeader().setFont(new_font)
self.ui.table_bank_left.verticalHeader().setFont(new_font)
self.ui.table_bank_right.setFont(new_font)
self.ui.table_bank_right.horizontalHeader().setFont(new_font)
self.ui.table_bank_right.verticalHeader().setFont(new_font)
self.ui.back_btn_bank.setFont(new_font)
self.ui.btn_save_bank.setFont(new_font)
self.ui.btn_load_bank.setFont(new_font)
self.ui.btn_clear_bank.setFont(new_font)
self.ui.btn_export_bank.setFont(new_font)
self.ui.text_browser_bank.setFont(big_font)
if not start:
for i in range(self.ui.table_PS.rowCount()):
self.ui.table_PS.cellWidget(i, 0).setFont(new_font)
self.ui.table_PS.cellWidget(i, 4).setFont(new_font)
if self.ui.table_local.cellWidget(0, 0) is not None:
for i in range(self.ui.table_local.rowCount()):
self.ui.table_local.cellWidget(i, 0).setFont(new_font)
self.ui.table_local.cellWidget(i, 4).setFont(new_font)
self.ui.table_local.cellWidget(i, 5).setFont(new_font)
for i in range(32):
# Need trys here in case the table does not have a
# cell widget there yet.
try:
self.ui.table_sd_left.cellWidget(i, 1).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_sd_left.cellWidget(i, 2).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_sd_right.cellWidget(i, 1).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_sd_right.cellWidget(i, 2).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_bank_left.cellWidget(i, 1).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_bank_left.cellWidget(i, 2).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_bank_right.cellWidget(i, 1).setFont(new_font)
except AttributeError:
pass
try:
self.ui.table_bank_right.cellWidget(i, 2).setFont(new_font)
except AttributeError:
pass
if self.ui.table_bank_local.cellWidget(0, 0) is not None:
for i in range(self.ui.table_bank_local.rowCount()):
self.ui.table_bank_local.cellWidget(i, 0).setFont(new_font)
def _initUI(self):
#
# Interface Language
#
language = config.data.get(config.ConfigKey.Language)
index = 0
self.ui.cmbBoxInterfaceLanguage.clear()
for key, value in config.data.get(
config.ConfigKey.InterfaceLanguages).items():
self.ui.cmbBoxInterfaceLanguage.addItem(value)
if key == language:
self.ui.cmbBoxInterfaceLanguage.setCurrentIndex(index)
index += 1
#
# Font & Size
#
font = QFont()
font.fromString(config.data.get(config.ConfigKey.Font))
self.ui.fcmbBoxFontFamily.setCurrentFont(font.family())
self.ui.spinBoxFontSize.setValue(font.pointSize())
#
# Logging is boolean value
#
isLogging = config.data.get(config.ConfigKey.Logging)
self.ui.chkBoxEnableLogging.setChecked(
config.data.get(config.ConfigKey.Logging))
#
# Enable Log Viewer
#
self.ui.chkBoxEnableLogViewer.setChecked(
config.data.get(config.ConfigKey.LogViewer))
#
# Does not follow global palette fully
#
if platform.system() == "Windows":
disabledColor = QColor(127, 127, 127)
chkBoxPalette = self.ui.chkBoxEnableLogViewer.palette()
chkBoxPalette.setColor(QPalette.Disabled, QPalette.WindowText,
disabledColor)
self.ui.chkBoxEnableLogViewer.setPalette(chkBoxPalette)
if not isLogging:
self.ui.chkBoxEnableLogViewer.setEnabled(False)
#
# Enable History
#
# Temporalily disable History
#
if config.data.get(config.ConfigKey.JobHistoryDisabled):
self.ui.chkBoxEnableJobHistory.setEnabled(False)
self.ui.chkBoxAutoSaveJobHistory.setEnabled(False)
self.ui.chkBoxEnableJobHistory.hide()
self.ui.chkBoxAutoSaveJobHistory.hide()
if config.data.get(config.ConfigKey.JobHistory) is not None:
self.ui.chkBoxEnableJobHistory.setChecked(
config.data.get(config.ConfigKey.JobHistory))
if config.data.get(config.ConfigKey.JobsAutoSave) is not None:
self.ui.chkBoxAutoSaveJobHistory.setChecked(
config.data.get(config.ConfigKey.JobsAutoSave))
#
# Restore Windows Size
#
self.ui.chkBoxRestoreWindowSize.setChecked(False)
#
# Algorithm
#
if config.data.get(config.ConfigKey.Algorithm) is not None:
currentAlgorithm = config.data.get(config.ConfigKey.Algorithm)
self.radioButtons[currentAlgorithm].setChecked(True)
