def make_filter_box(self):
filter_box = QtWidgets.QWidget()
layout = QtWidgets.QGridLayout()
layout.setSpacing(10)
prefix_label = QtWidgets.QLabel('File Prefix')
self.prefix_box = QtWidgets.QLineEdit()
self.prefix_box.editingFinished.connect(self.set_range)
extension_label = QtWidgets.QLabel('File Extension')
self.extension_box = QtWidgets.QLineEdit()
self.extension_box.editingFinished.connect(self.set_extension)
suffix_label = QtWidgets.QLabel('File Suffix')
self.suffix_box = QtWidgets.QLineEdit('')
self.suffix_box.editingFinished.connect(self.get_prefixes)
layout.addWidget(prefix_label, 0, 0)
layout.addWidget(self.prefix_box, 0, 1)
layout.addWidget(extension_label, 0, 2)
layout.addWidget(self.extension_box, 0, 3)
layout.addWidget(suffix_label, 0, 4)
layout.addWidget(self.suffix_box, 0, 5)
self.prefix_combo = QtWidgets.QComboBox()
self.prefix_combo.setSizeAdjustPolicy(
QtWidgets.QComboBox.AdjustToContents)
self.prefix_combo.activated.connect(self.choose_prefix)
self.extension_combo = QtWidgets.QComboBox()
self.extension_combo.setSizeAdjustPolicy(
QtWidgets.QComboBox.AdjustToContents)
self.extension_combo.activated.connect(self.choose_extension)
layout.addWidget(self.prefix_combo, 1, 1, alignment=QtCore.Qt.AlignHCenter)
layout.addWidget(self.extension_combo, 1, 3, alignment=QtCore.Qt.AlignHCenter)
filter_box.setLayout(layout)
filter_box.setVisible(False)
return filter_box
def __init__(self, parent=None):
super(ImportDialog, self).__init__(parent)
self.file_type = None
layout = QtWidgets.QVBoxLayout()
layout.addLayout(self.filebox())
title_layout = QtWidgets.QHBoxLayout()
title_label = QtWidgets.QLabel('Title')
self.title_box = QtWidgets.QLineEdit()
title_layout.addWidget(title_label)
title_layout.addWidget(self.title_box)
layout.addLayout(title_layout)
energy_layout = QtWidgets.QHBoxLayout()
energy_label = QtWidgets.QLabel('Incident Energy')
self.energy_box = QtWidgets.QLineEdit()
self.energy_box.setFixedWidth(150)
energy_layout.addWidget(energy_label)
energy_layout.addWidget(self.energy_box)
energy_layout.addStretch()
layout.addLayout(energy_layout)
step_layout = QtWidgets.QHBoxLayout()
Q_label = QtWidgets.QLabel('dQ')
self.Q_box = QtWidgets.QLineEdit()
self.Q_box.setFixedWidth(75)
E_label = QtWidgets.QLabel('dE')
self.E_box = QtWidgets.QLineEdit()
self.E_box.setFixedWidth(75)
self.convert_box = QtWidgets.QCheckBox('Convert to S(Q,E)')
self.convert_box.setChecked(False)
step_layout.addWidget(self.convert_box)
step_layout.addStretch()
step_layout.addWidget(Q_label)
step_layout.addWidget(self.Q_box)
step_layout.addWidget(E_label)
step_layout.addWidget(self.E_box)
step_layout.addStretch()
layout.addLayout(step_layout)
layout.addWidget(self.close_buttons())
self.setLayout(layout)
self.setWindowTitle("Import " + str(filetype))
def __init__(self, parent=None):
super(TransformDialog, self).__init__(parent)
self.select_entry(self.initialize_grid)
self.refine = NXRefine()
grid = QtWidgets.QGridLayout()
grid.setSpacing(10)
header_font = QtGui.QFont()
header_font.setBold(True)
start_label = QtWidgets.QLabel('Start')
start_label.setFont(header_font)
grid.addWidget(start_label, 0, 1)
step_label = QtWidgets.QLabel('Step')
step_label.setFont(header_font)
grid.addWidget(step_label, 0, 2)
stop_label = QtWidgets.QLabel('Stop')
stop_label.setFont(header_font)
grid.addWidget(stop_label, 0, 3)
grid.addWidget(QtWidgets.QLabel('H:'), 1, 0)
grid.addWidget(QtWidgets.QLabel('K:'), 2, 0)
grid.addWidget(QtWidgets.QLabel('L:'), 3, 0)
self.start_h_box = QtWidgets.QLineEdit()
self.step_h_box = QtWidgets.QLineEdit()
self.stop_h_box = QtWidgets.QLineEdit()
grid.addWidget(self.start_h_box, 1, 1)
grid.addWidget(self.step_h_box, 1, 2)
grid.addWidget(self.stop_h_box, 1, 3)
self.start_k_box = QtWidgets.QLineEdit()
self.step_k_box = QtWidgets.QLineEdit()
self.stop_k_box = QtWidgets.QLineEdit()
grid.addWidget(self.start_k_box, 2, 1)
grid.addWidget(self.step_k_box, 2, 2)
grid.addWidget(self.stop_k_box, 2, 3)
self.start_l_box = QtWidgets.QLineEdit()
self.step_l_box = QtWidgets.QLineEdit()
self.stop_l_box = QtWidgets.QLineEdit()
grid.addWidget(self.start_l_box, 3, 1)
grid.addWidget(self.step_l_box, 3, 2)
grid.addWidget(self.stop_l_box, 3, 3)
self.set_layout(
self.entry_layout, grid,
self.checkboxes(
('copy', 'Copy to all entries', True),
('mask', 'Create masked transform group', True),
('overwrite', 'Overwrite existing transforms', False)),
self.close_buttons(save=True))
self.setWindowTitle('Transforming Data')
try:
self.initialize_grid()
except Exception:
pass
def scanbox(self):
'''create widgets for specifying scan range to import'''
scanminlabel = QtWidgets.QLabel("Min. Scan")
self.scanmin = QtWidgets.QLineEdit()
self.scanmin.setFixedWidth(100)
self.scanmin.setAlignment(QtCore.Qt.AlignRight)
scanmaxlabel = QtWidgets.QLabel("Max. Scan")
self.scanmax = QtWidgets.QLineEdit()
self.scanmax.setFixedWidth(100)
self.scanmax.setAlignment(QtCore.Qt.AlignRight)
scanbox = QtWidgets.QHBoxLayout()
scanbox.addWidget(scanminlabel)
scanbox.addWidget(self.scanmin)
scanbox.addWidget(scanmaxlabel)
scanbox.addWidget(self.scanmax)
return scanbox
def make_rangebox(self):
rangebox = QtWidgets.QWidget()
layout = QtWidgets.QHBoxLayout()
rangeminlabel = QtWidgets.QLabel("Min. index")
self.rangemin = QtWidgets.QLineEdit()
self.rangemin.setFixedWidth(150)
self.rangemin.setAlignment(QtCore.Qt.AlignRight)
rangemaxlabel = QtWidgets.QLabel("Max. index")
self.rangemax = QtWidgets.QLineEdit()
self.rangemax.setFixedWidth(150)
self.rangemax.setAlignment(QtCore.Qt.AlignRight)
layout.addWidget(rangeminlabel)
layout.addWidget(self.rangemin)
layout.addStretch()
layout.addWidget(rangemaxlabel)
layout.addWidget(self.rangemax)
rangebox.setLayout(layout)
rangebox.setVisible(False)
return rangebox
def make_output_box(self):
"""
Creates a text box and button for selecting the output file.
"""
output_box = QtWidgets.QWidget()
layout = QtWidgets.QHBoxLayout()
file_button = QtWidgets.QPushButton("Choose Output File")
file_button.clicked.connect(self.choose_output_file)
self.output_file = QtWidgets.QLineEdit(self)
self.output_file.setMinimumWidth(300)
layout.addWidget(file_button)
layout.addWidget(self.output_file)
output_box.setLayout(layout)
output_box.setVisible(False)
return output_box
def __init__(self, parent=None):
super(ImportDialog, self).__init__(parent)
skippedbox = QtWidgets.QHBoxLayout()
skippedlabel = QtWidgets.QLabel("No. of skipped rows")
self.skiprows = QtWidgets.QLineEdit()
self.skiprows.setText('0')
self.skiprows.setFixedWidth(20)
skippedbox.addWidget(skippedlabel)
skippedbox.addWidget(self.skiprows)
layout = QtWidgets.QVBoxLayout()
layout.addLayout(self.filebox())
layout.addLayout(skippedbox)
layout.addWidget(self.buttonbox())
self.setLayout(layout)
self.setWindowTitle("Import "+str(filetype))
def list_peaks(self):
if self.peaks_box is not None and self.table_model is not None:
self.update_table()
return
self.peaks_box = BaseDialog(self)
self.peaks_box.setMinimumWidth(600)
self.peaks_box.setMinimumHeight(600)
header = [
'i', 'x', 'y', 'z', 'Polar', 'Azi', 'Intensity', 'H', 'K', 'L',
'Diff'
]
peak_list = self.refine.get_peaks()
self.refine.assign_rings()
self.rings = self.refine.get_ring_hkls()
orient_layout = QtWidgets.QHBoxLayout()
if self.refine.primary is None:
self.refine.primary = 0
if self.refine.secondary is None:
self.refine.secondary = 1
self.primary_box = QtWidgets.QLineEdit(str(self.refine.primary))
self.primary_box.setAlignment(QtCore.Qt.AlignRight)
self.primary_box.setFixedWidth(80)
self.secondary_box = QtWidgets.QLineEdit(str(self.refine.secondary))
self.secondary_box.setAlignment(QtCore.Qt.AlignRight)
self.secondary_box.setFixedWidth(80)
orient_button = QtWidgets.QPushButton('Orient')
orient_button.clicked.connect(self.orient)
orient_layout.addStretch()
orient_layout.addWidget(QtWidgets.QLabel('Primary'))
orient_layout.addWidget(self.primary_box)
orient_layout.addWidget(QtWidgets.QLabel('Secondary'))
orient_layout.addWidget(self.secondary_box)
orient_layout.addStretch()
orient_layout.addWidget(orient_button)
self.table_view = QtWidgets.QTableView()
self.table_model = NXTableModel(self, peak_list, header)
self.table_view.setModel(self.table_model)
self.table_view.resizeColumnsToContents()
self.table_view.horizontalHeader().stretchLastSection()
self.table_view.setSelectionBehavior(
QtWidgets.QAbstractItemView.SelectRows)
self.table_view.doubleClicked.connect(self.plot_peak)
self.table_view.setSortingEnabled(True)
self.table_view.sortByColumn(0, QtCore.Qt.AscendingOrder)
layout = QtWidgets.QVBoxLayout()
layout.addLayout(orient_layout)
layout.addWidget(self.table_view)
close_layout = QtWidgets.QHBoxLayout()
self.status_text = QtWidgets.QLabel('Score: %.4f' %
self.refine.score())
self.tolerance_box = QtWidgets.QLineEdit(str(
self.refine.hkl_tolerance))
self.tolerance_box.setAlignment(QtCore.Qt.AlignRight)
self.tolerance_box.setMaxLength(5)
self.tolerance_box.editingFinished.connect(self.update_table)
self.tolerance_box.setFixedWidth(80)
save_button = QtWidgets.QPushButton('Save Orientation')
save_button.clicked.connect(self.save_orientation)
close_button = QtWidgets.QPushButton('Close Window')
close_button.clicked.connect(self.close_peaks_box)
close_layout.addWidget(self.status_text)
close_layout.addStretch()
close_layout.addWidget(QtWidgets.QLabel('Threshold'))
close_layout.addWidget(self.tolerance_box)
close_layout.addStretch()
close_layout.addWidget(save_button)
close_layout.addStretch()
close_layout.addWidget(close_button)
layout.addLayout(close_layout)
self.peaks_box.setLayout(layout)
self.peaks_box.setWindowTitle('%s Peak Table' % self.entry.nxtitle)
self.peaks_box.adjustSize()
self.peaks_box.show()
self.plotview = None
def list_orientations(self):
message_box = BaseDialog(self)
message_box.setMinimumWidth(600)
message_box.setMinimumHeight(600)
header = [
'i', 'x', 'y', 'z', 'Polar', 'Azi', 'Intensity', 'H', 'K', 'L',
'Diff'
]
peak_list = self.refine.get_peaks()
self.refine.assign_rings()
self.rings = self.refine.get_ring_hkls()
orient_layout = QtWidgets.QHBoxLayout()
if self.refine.primary is None:
self.refine.primary = 0
if self.refine.secondary is None:
self.refine.secondary = 1
self.primary_box = QtWidgets.QLineEdit(str(self.refine.primary))
self.primary_box.setAlignment(QtCore.Qt.AlignRight)
self.primary_box.setFixedWidth(80)
self.secondary_box = QtWidgets.QLineEdit(str(self.refine.secondary))
self.secondary_box.setAlignment(QtCore.Qt.AlignRight)
self.secondary_box.setFixedWidth(80)
orient_button = QtWidgets.QPushButton('Orient')
orient_button.clicked.connect(self.orient)
refine_button = QtWidgets.QPushButton('Refine')
refine_button.clicked.connect(self.refine_orientation)
restore_button = QtWidgets.QPushButton('Restore')
restore_button.clicked.connect(self.restore_orientation)
orient_layout.addStretch()
orient_layout.addWidget(QtWidgets.QLabel('Primary'))
orient_layout.addWidget(self.primary_box)
orient_layout.addWidget(QtWidgets.QLabel('Secondary'))
orient_layout.addWidget(self.secondary_box)
orient_layout.addStretch()
orient_layout.addWidget(orient_button)
orient_layout.addWidget(refine_button)
orient_layout.addWidget(restore_button)
grid = QtWidgets.QGridLayout()
grid.setSpacing(10)
self.lattice = GridParameters()
self.lattice.add('a', self.refine.a, 'a', False)
self.lattice.add('b', self.refine.b, 'b', False)
self.lattice.add('c', self.refine.c, 'c', False)
self.lattice.add('alpha', self.refine.alpha, 'alpha', False)
self.lattice.add('beta', self.refine.beta, 'beta', False)
self.lattice.add('gamma', self.refine.gamma, 'gamma', False)
p = self.lattice['a']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 0, 0, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 0, 1, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 0, 2, QtCore.Qt.AlignHCenter)
p = self.lattice['b']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 0, 3, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 0, 4, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 0, 5, QtCore.Qt.AlignHCenter)
p = self.lattice['c']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 0, 6, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 0, 7, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 0, 8, QtCore.Qt.AlignHCenter)
p = self.lattice['alpha']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 1, 0, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 1, 1, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 1, 2, QtCore.Qt.AlignHCenter)
p = self.lattice['beta']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 1, 3, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 1, 4, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 1, 5, QtCore.Qt.AlignHCenter)
p = self.lattice['gamma']
p.box.setFixedWidth(80)
label, value, checkbox = p.label, p.value, p.vary
grid.addWidget(p.label, 1, 6, QtCore.Qt.AlignRight)
grid.addWidget(p.box, 1, 7, QtCore.Qt.AlignHCenter)
grid.addWidget(p.checkbox, 1, 8, QtCore.Qt.AlignHCenter)
self.table_view = QtWidgets.QTableView()
self.table_model = NXTableModel(self, peak_list, header)
self.table_view.setModel(self.table_model)
self.table_view.resizeColumnsToContents()
self.table_view.horizontalHeader().stretchLastSection()
self.table_view.setSelectionBehavior(
QtWidgets.QAbstractItemView.SelectRows)
self.table_view.doubleClicked.connect(self.plot_peak)
self.table_view.setSortingEnabled(True)
self.table_view.sortByColumn(0, QtCore.Qt.AscendingOrder)
layout = QtWidgets.QVBoxLayout()
layout.addLayout(orient_layout)
layout.addLayout(grid)
layout.addWidget(self.table_view)
close_layout = QtWidgets.QHBoxLayout()
self.status_text = QtWidgets.QLabel('Score: %.4f' %
self.refine.score())
self.tolerance_box = QtWidgets.QLineEdit(str(
self.refine.hkl_tolerance))
self.tolerance_box.setAlignment(QtCore.Qt.AlignRight)
self.tolerance_box.setMaxLength(5)
self.tolerance_box.editingFinished.connect(self.update_table)
self.tolerance_box.setFixedWidth(80)
save_button = QtWidgets.QPushButton('Save Orientation')
save_button.clicked.connect(self.save_orientation)
close_button = QtWidgets.QPushButton('Close Window')
close_button.clicked.connect(message_box.close)
close_layout.addWidget(self.status_text)
close_layout.addStretch()
close_layout.addWidget(QtWidgets.QLabel('Threshold'))
close_layout.addWidget(self.tolerance_box)
close_layout.addStretch()
close_layout.addWidget(save_button)
close_layout.addStretch()
close_layout.addWidget(close_button)
layout.addLayout(close_layout)
message_box.setLayout(layout)
message_box.setWindowTitle('%s Peak Table' % self.entry.nxtitle)
message_box.adjustSize()
message_box.show()
self.plotview = None
