Beispiel #1
0
class TrainingPanel(Panel):

    def __init__(self, datasets, testing_panel, threads):
        super().__init__()
        if isinstance(testing_panel, TestingPanel):
            self.testing_panel = testing_panel
        else:
            raise TypeError('"testing_panel" must be the instance of '
                            '"TestingPanel"')
        self.datasets = datasets
        self.threads = threads

        self.__set_execution_ui()
        self.__set_options_ui()
        self.__set_outputs_ui()
        self.__set_graphic_ui()

    def __set_execution_ui(self):
        group_box = QGroupBox('Training Execution')
        inner_layout = QHBoxLayout()
        group_box.setLayout(inner_layout)

        self.data_selector = QComboBox()
        self.data_selector.addItems(list(self.datasets.keys()))
        self.data_selector.setStatusTip('Select the training dataset.')

        self.start_btn = QPushButton('Train')
        self.start_btn.setStatusTip('Start training.')
        self.start_btn.clicked.connect(self.__run)

        self.stop_btn = QPushButton('Stop')
        self.stop_btn.setStatusTip('Force the training stop running.')
        self.stop_btn.setDisabled(True)

        self.multicore_cb = QCheckBox('Multicore')
        self.multicore_cb.setStatusTip('Use multiprocessing in calculating '
                                       'fitting for populations.')
        self.multicore_cb.setChecked(True)

        inner_layout.addWidget(self.data_selector, 1)
        inner_layout.addWidget(self.start_btn)
        inner_layout.addWidget(self.stop_btn)
        inner_layout.addWidget(self.multicore_cb)

        self._layout.addWidget(group_box)

    def __set_options_ui(self):
        group_box = QGroupBox('Training Options')
        inner_layout = QFormLayout()
        group_box.setLayout(inner_layout)

        self.iter_times = QSpinBox()
        self.iter_times.setRange(1, 1000000)
        self.iter_times.setValue(200)
        self.iter_times.setStatusTip('The total iterating times for training.')

        self.population_size = QSpinBox()
        self.population_size.setRange(1, 100000)
        self.population_size.setValue(100)
        self.population_size.setStatusTip('The population size for the PSO.')

        self.inertia_weight = QDoubleSpinBox()
        self.inertia_weight.setRange(0, 50)
        self.inertia_weight.setValue(1)
        self.inertia_weight.setSingleStep(0.1)
        self.inertia_weight.setStatusTip('The inertia weight of the velocity '
                                         ' for each individual.')

        self.cognitive_const_rand_upper = QDoubleSpinBox()
        self.cognitive_const_rand_upper.setRange(0, 50)
        self.cognitive_const_rand_upper.setValue(2)
        self.cognitive_const_rand_upper.setSingleStep(0.1)
        self.cognitive_const_rand_upper.setStatusTip(
            'The random upper bound for cognitive accelerate constant.')

        self.social_const_rand_upper = QDoubleSpinBox()
        self.social_const_rand_upper.setRange(0, 50)
        self.social_const_rand_upper.setValue(3)
        self.social_const_rand_upper.setSingleStep(0.1)
        self.social_const_rand_upper.setStatusTip(
            'The random upper bound for social accelerate constant.')

        self.v_max = QDoubleSpinBox()
        self.v_max.setRange(0.5, 100)
        self.v_max.setValue(5)
        self.v_max.setSingleStep(1)
        self.v_max.setStatusTip('The maximum of velocity for each individual.')

        self.nneuron = QSpinBox()
        self.nneuron.setRange(1, 100)
        self.nneuron.setValue(6)
        self.nneuron.setStatusTip('The number of RBFN neuron.')

        self.sd_max = QDoubleSpinBox()
        self.sd_max.setRange(0.01, 20)
        self.sd_max.setValue(10)
        self.sd_max.setSingleStep(0.1)
        self.sd_max.setStatusTip('The random range maximum of standard '
                                 'deviation of each neuron in RBFN (only for '
                                 'initialization).')

        inner_layout.addRow('Iterating Times:', self.iter_times)
        inner_layout.addRow('Population Size:', self.population_size)
        inner_layout.addRow('Inertia Weight:', self.inertia_weight)
        inner_layout.addRow('Cognitive Const Upper:',
                            self.cognitive_const_rand_upper)
        inner_layout.addRow('Social Const Upper:',
                            self.social_const_rand_upper)
        inner_layout.addRow('Maximum of Velocity:', self.v_max)
        inner_layout.addRow('Number of Neuron:', self.nneuron)
        inner_layout.addRow('Maximum of SD:', self.sd_max)

        self._layout.addWidget(group_box)

    def __set_outputs_ui(self):
        group_box = QGroupBox('Training Details')
        inner_layout = QFormLayout()
        group_box.setLayout(inner_layout)

        self.current_iter_time = QLabel('--')
        self.current_error = QLabel('--')
        self.avg_error = QLabel('--')
        self.global_best_error = QLabel('--')
        self.total_best_error = QLabel('--')
        self.progressbar = QProgressBar()

        self.current_iter_time.setAlignment(Qt.AlignCenter)
        self.current_error.setAlignment(Qt.AlignCenter)
        self.avg_error.setAlignment(Qt.AlignCenter)
        self.global_best_error.setAlignment(Qt.AlignCenter)
        self.total_best_error.setAlignment(Qt.AlignCenter)

        self.current_iter_time.setStatusTip('The current iterating time of '
                                            'the PSO.')
        self.current_error.setStatusTip('The current error from the fitting '
                                        'function. ("( )": normalized error)')
        self.avg_error.setStatusTip('The average error from the fitting '
                                    'function in current iteration.  ("( )": '
                                    'normalized error)')
        self.global_best_error.setStatusTip(
            'The error of global best individual from the fitting function in '
            'current iteration.  ("( )": normalized error)')
        self.total_best_error.setStatusTip(
            'The error of total best individual from the fitting function in '
            'training.  ("( )": normalized error)')

        inner_layout.addRow('Current Iterating Time:', self.current_iter_time)
        inner_layout.addRow('Current Error:', self.current_error)
        inner_layout.addRow('Average Error:', self.avg_error)
        inner_layout.addRow('Global Best Error:', self.global_best_error)
        inner_layout.addRow('Total Best Error:', self.total_best_error)
        inner_layout.addRow(self.progressbar)

        self._layout.addWidget(group_box)

    def __set_graphic_ui(self):
        group_box = QGroupBox('Error Line Charts:')
        inner_layout = QVBoxLayout()
        group_box.setLayout(inner_layout)

        self.err_chart = ErrorLineChart(1)
        self.err_chart.setStatusTip('The history of error from the fitting '
                                    'of the PSO for each data.')
        self.__err_x = 1

        self.iter_err_chart = ErrorLineChart(
            3, ('Avg', 'Global Best', 'Total Best'))
        self.iter_err_chart.setStatusTip('The history of average and least '
                                         'error from the fitting of the PSO '
                                         'for each iteration.')
        self.iter_err_chart.setMinimumHeight(150)

        inner_layout.addWidget(QLabel('Current Error'))
        inner_layout.addWidget(self.err_chart)
        inner_layout.addWidget(QLabel('Average Error'))
        inner_layout.addWidget(self.iter_err_chart)
        self._layout.addWidget(group_box)

    @Slot()
    def __init_widgets(self):
        self.start_btn.setDisabled(True)
        self.stop_btn.setEnabled(True)
        self.multicore_cb.setDisabled(True)
        self.data_selector.setDisabled(True)
        self.iter_times.setDisabled(True)
        self.population_size.setDisabled(True)
        self.inertia_weight.setDisabled(True)
        self.cognitive_const_rand_upper.setDisabled(True)
        self.social_const_rand_upper.setDisabled(True)
        self.v_max.setDisabled(True)
        self.nneuron.setDisabled(True)
        self.sd_max.setDisabled(True)
        self.err_chart.clear()
        self.iter_err_chart.clear()
        self.__err_x = 1

    @Slot()
    def __reset_widgets(self):
        self.start_btn.setEnabled(True)
        self.stop_btn.setDisabled(True)
        self.multicore_cb.setEnabled(True)
        self.data_selector.setEnabled(True)
        self.iter_times.setEnabled(True)
        self.population_size.setEnabled(True)
        self.inertia_weight.setEnabled(True)
        self.cognitive_const_rand_upper.setEnabled(True)
        self.social_const_rand_upper.setEnabled(True)
        self.v_max.setEnabled(True)
        self.nneuron.setEnabled(True)
        self.sd_max.setEnabled(True)
        self.progressbar.setMinimum(0)
        self.progressbar.setMaximum(100)

    @Slot()
    def __indicate_busy(self):
        self.progressbar.setMinimum(0)
        self.progressbar.setMaximum(0)

    @Slot(int)
    def __show_current_iter_time(self, value):
        self.current_iter_time.setText(str(value + 1))
        self.progressbar.setValue(value + 1)

    @Slot(float)
    def __show_current_error(self, value):
        self.current_error.setText('{:.5f} ({:.5f})'.format(value, value / 40))
        self.err_chart.append_point(self.__err_x, value)
        self.__err_x += 1

    @Slot(float, float, float)
    def __show_iter_error(self, avg, glob, total):
        self.avg_error.setText('{:.5f} ({:.5f})'.format(avg, avg / 40))
        self.global_best_error.setText(
            '{:.5f} ({:.5f})'.format(glob, glob / 40))
        self.total_best_error.setText(
            '{:.5f} ({:.5f})'.format(total, total / 40))
        self.iter_err_chart.append_point(
            int(self.current_iter_time.text()), total, 2)
        self.iter_err_chart.append_point(
            int(self.current_iter_time.text()), glob, 1)
        self.iter_err_chart.append_point(
            int(self.current_iter_time.text()), avg, 0)

    def __run(self):
        self.progressbar.setMaximum(self.iter_times.value())

        self.__current_dataset = self.datasets[
            self.data_selector.currentText()]

        self.__pso = PSO(self.iter_times.value(), self.population_size.value(),
                         self.inertia_weight.value(),
                         self.cognitive_const_rand_upper.value(),
                         self.social_const_rand_upper.value(),
                         self.v_max.value(), self.nneuron.value(),
                         self.__current_dataset, self.sd_max.value(),
                         is_multicore=self.multicore_cb.isChecked())
        self.threads.append(self.__pso)
        self.stop_btn.clicked.connect(self.__pso.stop)
        self.__pso.started.connect(self.__init_widgets)
        self.__pso.finished.connect(self.__reset_widgets)
        self.__pso.sig_current_iter_time.connect(self.__show_current_iter_time)
        self.__pso.sig_current_error.connect(self.__show_current_error)
        self.__pso.sig_iter_error.connect(self.__show_iter_error)
        self.__pso.sig_indicate_busy.connect(self.__indicate_busy)
        self.__pso.sig_console.connect(self.testing_panel.print_console)
        self.__pso.sig_rbfn.connect(self.testing_panel.load_rbfn)
        self.__pso.start()
Beispiel #2
0
class ColorDialog(QDialog):
    def __init__(self, model, font_metric, parent=None):
        super().__init__(parent)

        self.setWindowTitle('Color Options')

        self.model = model
        self.font_metric = font_metric
        self.main_window = parent

        self.createDialogLayout()

    def createDialogLayout(self):

        self.createGeneralTab()

        self.cellTable = self.createDomainTable(self.main_window.cellsModel)
        self.matTable = self.createDomainTable(self.main_window.materialsModel)
        self.tabs = {
            'cell': self.createDomainTab(self.cellTable),
            'material': self.createDomainTab(self.matTable),
            'temperature': self.createPropertyTab('temperature'),
            'density': self.createPropertyTab('density')
        }

        self.tab_bar = QTabWidget()
        self.tab_bar.setMaximumHeight(800)
        self.tab_bar.setSizePolicy(QSizePolicy.Expanding,
                                   QSizePolicy.Expanding)
        self.tab_bar.addTab(self.generalTab, 'General')
        self.tab_bar.addTab(self.tabs['cell'], 'Cells')
        self.tab_bar.addTab(self.tabs['material'], 'Materials')
        self.tab_bar.addTab(self.tabs['temperature'], 'Temperature')
        self.tab_bar.addTab(self.tabs['density'], 'Density')

        self.createButtonBox()

        self.colorDialogLayout = QVBoxLayout()
        self.colorDialogLayout.addWidget(self.tab_bar)
        self.colorDialogLayout.addWidget(self.buttonBox)
        self.setLayout(self.colorDialogLayout)

    def createGeneralTab(self):

        main_window = self.main_window

        # Masking options
        self.maskingCheck = QCheckBox('')
        self.maskingCheck.stateChanged.connect(main_window.toggleMasking)

        button_width = self.font_metric.boundingRect("XXXXXXXXXX").width()
        self.maskColorButton = QPushButton()
        self.maskColorButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.maskColorButton.setFixedWidth(button_width)
        self.maskColorButton.setFixedHeight(self.font_metric.height() * 1.5)
        self.maskColorButton.clicked.connect(main_window.editMaskingColor)

        # Highlighting options
        self.hlCheck = QCheckBox('')
        self.hlCheck.stateChanged.connect(main_window.toggleHighlighting)

        self.hlColorButton = QPushButton()
        self.hlColorButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.hlColorButton.setFixedWidth(button_width)
        self.hlColorButton.setFixedHeight(self.font_metric.height() * 1.5)
        self.hlColorButton.clicked.connect(main_window.editHighlightColor)

        self.alphaBox = QDoubleSpinBox()
        self.alphaBox.setRange(0, 1)
        self.alphaBox.setSingleStep(.05)
        self.alphaBox.valueChanged.connect(main_window.editAlpha)

        self.seedBox = QSpinBox()
        self.seedBox.setRange(1, 999)
        self.seedBox.valueChanged.connect(main_window.editSeed)

        # General options
        self.bgButton = QPushButton()
        self.bgButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.bgButton.setFixedWidth(button_width)
        self.bgButton.setFixedHeight(self.font_metric.height() * 1.5)
        self.bgButton.clicked.connect(main_window.editBackgroundColor)

        self.colorbyBox = QComboBox(self)
        self.colorbyBox.addItem("material")
        self.colorbyBox.addItem("cell")
        self.colorbyBox.addItem("temperature")
        self.colorbyBox.addItem("density")
        self.colorbyBox.currentTextChanged[str].connect(
            main_window.editColorBy)

        self.universeLevelBox = QComboBox(self)
        self.universeLevelBox.addItem('all')
        for i in range(self.model.max_universe_levels):
            self.universeLevelBox.addItem(str(i))
        self.universeLevelBox.currentTextChanged[str].connect(
            main_window.editUniverseLevel)

        # Overlap plotting
        self.overlapCheck = QCheckBox('', self)
        overlap_connector = partial(main_window.toggleOverlaps)
        self.overlapCheck.stateChanged.connect(overlap_connector)

        self.overlapColorButton = QPushButton()
        self.overlapColorButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.overlapColorButton.setFixedWidth(button_width)
        self.overlapColorButton.setFixedHeight(self.font_metric.height() * 1.5)
        self.overlapColorButton.clicked.connect(main_window.editOverlapColor)

        self.colorResetButton = QPushButton("&Reset Colors")
        self.colorResetButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.colorResetButton.clicked.connect(main_window.resetColors)

        formLayout = QFormLayout()
        formLayout.setAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setFormAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setLabelAlignment(QtCore.Qt.AlignLeft)

        formLayout.addRow('Masking:', self.maskingCheck)
        formLayout.addRow('Mask Color:', self.maskColorButton)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Highlighting:', self.hlCheck)
        formLayout.addRow('Highlight Color:', self.hlColorButton)
        formLayout.addRow('Highlight Alpha:', self.alphaBox)
        formLayout.addRow('Highlight Seed:', self.seedBox)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Background Color:          ', self.bgButton)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Show Overlaps:', self.overlapCheck)
        formLayout.addRow('Overlap Color:', self.overlapColorButton)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Color Plot By:', self.colorbyBox)
        formLayout.addRow('Universe Level:', self.universeLevelBox)
        formLayout.addRow(self.colorResetButton, None)

        generalLayout = QHBoxLayout()
        innerWidget = QWidget()
        generalLayout.setAlignment(QtCore.Qt.AlignVCenter)
        innerWidget.setLayout(formLayout)
        generalLayout.addStretch(1)
        generalLayout.addWidget(innerWidget)
        generalLayout.addStretch(1)

        self.generalTab = QWidget()
        self.generalTab.setLayout(generalLayout)

    def createDomainTable(self, domainmodel):

        domainTable = QTableView()
        domainTable.setModel(domainmodel)
        domainTable.setItemDelegate(DomainDelegate(domainTable))
        domainTable.verticalHeader().setVisible(False)
        domainTable.resizeColumnsToContents()
        domainTable.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        domainTable.horizontalHeader().setSectionResizeMode(
            1, QHeaderView.Stretch)

        return domainTable

    def createDomainTab(self, domaintable):

        domainTab = QWidget()
        domainTab.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        domainLayout = QVBoxLayout()
        domainLayout.addWidget(domaintable)
        domainTab.setLayout(domainLayout)

        return domainTab

    def createPropertyTab(self, property_kind):
        propertyTab = QWidget()
        propertyTab.property_kind = property_kind
        propertyTab.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        propertyLayout = QVBoxLayout()

        propertyTab.minMaxCheckBox = QCheckBox()
        propertyTab.minMaxCheckBox.setCheckable(True)
        connector1 = partial(self.main_window.toggleUserMinMax,
                             property=property_kind)
        propertyTab.minMaxCheckBox.stateChanged.connect(connector1)

        propertyTab.minBox = ScientificDoubleSpinBox(self)
        propertyTab.minBox.setMaximum(1E9)
        propertyTab.minBox.setMinimum(0)
        propertyTab.maxBox = ScientificDoubleSpinBox(self)
        propertyTab.maxBox.setMaximum(1E9)
        propertyTab.maxBox.setMinimum(0)

        connector2 = partial(self.main_window.editColorbarMin,
                             property_type=property_kind)
        propertyTab.minBox.valueChanged.connect(connector2)
        connector3 = partial(self.main_window.editColorbarMax,
                             property_type=property_kind)
        propertyTab.maxBox.valueChanged.connect(connector3)

        propertyTab.colormapBox = QComboBox(self)
        cmaps = sorted(m for m in mcolormaps.datad if not m.endswith("_r"))
        for cmap in cmaps:
            propertyTab.colormapBox.addItem(cmap)

        connector = partial(self.main_window.editColorMap,
                            property_type=property_kind)

        propertyTab.colormapBox.currentTextChanged[str].connect(connector)

        propertyTab.dataIndicatorCheckBox = QCheckBox()
        propertyTab.dataIndicatorCheckBox.setCheckable(True)
        connector4 = partial(self.main_window.toggleDataIndicatorCheckBox,
                             property=property_kind)
        propertyTab.dataIndicatorCheckBox.stateChanged.connect(connector4)

        propertyTab.colorBarScaleCheckBox = QCheckBox()
        propertyTab.colorBarScaleCheckBox.setCheckable(True)
        connector5 = partial(self.main_window.toggleColorbarScale,
                             property=property_kind)
        propertyTab.colorBarScaleCheckBox.stateChanged.connect(connector5)

        formLayout = QFormLayout()
        formLayout.setAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setFormAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setLabelAlignment(QtCore.Qt.AlignLeft)

        formLayout.addRow('Colormap:', propertyTab.colormapBox)

        formLayout.addRow('Custom Min/Max', propertyTab.minMaxCheckBox)
        formLayout.addRow('Data Indicator', propertyTab.dataIndicatorCheckBox)
        formLayout.addRow('Log Scale', propertyTab.colorBarScaleCheckBox)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Max: ', propertyTab.maxBox)
        formLayout.addRow('Min: ', propertyTab.minBox)

        propertyTab.setLayout(formLayout)

        return propertyTab

    def updateDataIndicatorVisibility(self):
        av = self.model.activeView
        for key, val in av.data_indicator_enabled.items():
            self.tabs[key].dataIndicatorCheckBox.setChecked(val)

    def updateColorMaps(self):
        cmaps = self.model.activeView.colormaps
        for key, val in cmaps.items():
            idx = self.tabs[key].colormapBox.findText(
                val, QtCore.Qt.MatchFixedString)
            if idx >= 0:
                self.tabs[key].colormapBox.setCurrentIndex(idx)

    def updateColorMinMax(self):
        minmax = self.model.activeView.user_minmax
        for key, val in minmax.items():
            self.tabs[key].minBox.setValue(val[0])
            self.tabs[key].maxBox.setValue(val[1])
        custom_minmax = self.model.activeView.use_custom_minmax
        for key, val, in custom_minmax.items():
            self.tabs[key].minMaxCheckBox.setChecked(val)
            self.tabs[key].minBox.setEnabled(val)
            self.tabs[key].maxBox.setEnabled(val)

    def updateColorbarScale(self):
        av = self.model.activeView
        for key, val in av.color_scale_log.items():
            self.tabs[key].colorBarScaleCheckBox.setChecked(val)

    def createButtonBox(self):

        applyButton = QPushButton("Apply Changes")
        applyButton.clicked.connect(self.main_window.applyChanges)
        closeButton = QPushButton("Close")
        closeButton.clicked.connect(self.hide)

        buttonLayout = QHBoxLayout()
        buttonLayout.addStretch(1)
        buttonLayout.addWidget(applyButton)
        buttonLayout.addWidget(closeButton)

        self.buttonBox = QWidget()
        self.buttonBox.setLayout(buttonLayout)

    def updateDialogValues(self):

        self.updateMasking()
        self.updateMaskingColor()
        self.updateColorMaps()
        self.updateColorMinMax()
        self.updateColorbarScale()
        self.updateDataIndicatorVisibility()
        self.updateHighlighting()
        self.updateHighlightColor()
        self.updateAlpha()
        self.updateSeed()
        self.updateBackgroundColor()
        self.updateColorBy()
        self.updateUniverseLevel()
        self.updateDomainTabs()
        self.updateOverlap()
        self.updateOverlapColor()

    def updateMasking(self):
        masking = self.model.activeView.masking

        self.maskingCheck.setChecked(masking)
        self.maskColorButton.setDisabled(not masking)

        if masking:
            self.cellTable.showColumn(4)
            self.matTable.showColumn(4)
        else:
            self.cellTable.hideColumn(4)
            self.matTable.hideColumn(4)

    def updateMaskingColor(self):
        color = self.model.activeView.maskBackground
        style_values = "border-radius: 8px; background-color: rgb{}"
        self.maskColorButton.setStyleSheet(style_values.format(str(color)))

    def updateHighlighting(self):
        highlighting = self.model.activeView.highlighting

        self.hlCheck.setChecked(highlighting)
        self.hlColorButton.setDisabled(not highlighting)
        self.alphaBox.setDisabled(not highlighting)
        self.seedBox.setDisabled(not highlighting)

        if highlighting:
            self.cellTable.showColumn(5)
            self.cellTable.hideColumn(2)
            self.cellTable.hideColumn(3)
            self.matTable.showColumn(5)
            self.matTable.hideColumn(2)
            self.matTable.hideColumn(3)
        else:
            self.cellTable.hideColumn(5)
            self.cellTable.showColumn(2)
            self.cellTable.showColumn(3)
            self.matTable.hideColumn(5)
            self.matTable.showColumn(2)
            self.matTable.showColumn(3)

    def updateHighlightColor(self):
        color = self.model.activeView.highlightBackground
        style_values = "border-radius: 8px; background-color: rgb{}"
        self.hlColorButton.setStyleSheet(style_values.format(str(color)))

    def updateAlpha(self):
        self.alphaBox.setValue(self.model.activeView.highlightAlpha)

    def updateSeed(self):
        self.seedBox.setValue(self.model.activeView.highlightSeed)

    def updateBackgroundColor(self):
        color = self.model.activeView.domainBackground
        self.bgButton.setStyleSheet("border-radius: 8px;"
                                    "background-color: rgb%s" % (str(color)))

    def updateOverlapColor(self):
        color = self.model.activeView.overlap_color
        self.overlapColorButton.setStyleSheet("border-radius: 8px;"
                                              "background-color: rgb%s" %
                                              (str(color)))

    def updateOverlap(self):
        colorby = self.model.activeView.colorby
        overlap_val = self.model.activeView.color_overlaps
        if colorby in ('cell', 'material'):
            self.overlapCheck.setChecked(overlap_val)

    def updateColorBy(self):
        colorby = self.model.activeView.colorby
        self.colorbyBox.setCurrentText(colorby)
        self.overlapCheck.setEnabled(colorby in ("cell", "material"))
        self.universeLevelBox.setEnabled(colorby == 'cell')

    def updateUniverseLevel(self):
        level = self.model.activeView.level
        if level == -1:
            self.universeLevelBox.setCurrentText('all')
        else:
            self.universeLevelBox.setCurrentText(str(level))

    def updateDomainTabs(self):
        self.cellTable.setModel(self.main_window.cellsModel)
        self.matTable.setModel(self.main_window.materialsModel)
Beispiel #3
0
class ColorDialog(QDialog):
    def __init__(self, model, FM, parent=None):
        super(ColorDialog, self).__init__(parent)

        self.setWindowTitle('Color Options')

        self.model = model
        self.FM = FM
        self.mw = parent

        self.createDialogLayout()

    def createDialogLayout(self):

        self.createGeneralTab()

        self.cellTable = self.createDomainTable(self.mw.cellsModel)
        self.matTable = self.createDomainTable(self.mw.materialsModel)
        self.cellTab = self.createDomainTab(self.cellTable)
        self.matTab = self.createDomainTab(self.matTable)

        self.tabs = QTabWidget()
        self.tabs.setMaximumHeight(800)
        self.tabs.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        self.tabs.addTab(self.generalTab, 'General')
        self.tabs.addTab(self.cellTab, 'Cells')
        self.tabs.addTab(self.matTab, 'Materials')

        self.createButtonBox()

        self.colorDialogLayout = QVBoxLayout()
        #self.colorDialogLayout.setContentsMargins(0, 0, 0, 0)
        self.colorDialogLayout.addWidget(self.tabs)
        self.colorDialogLayout.addWidget(self.buttonBox)
        self.setLayout(self.colorDialogLayout)

    def createGeneralTab(self):

        # Masking options
        self.maskingCheck = QCheckBox('')
        self.maskingCheck.stateChanged.connect(self.mw.toggleMasking)

        self.maskColorButton = QPushButton()
        self.maskColorButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.maskColorButton.setFixedWidth(self.FM.width("XXXXXXXXXX"))
        self.maskColorButton.setFixedHeight(self.FM.height() * 1.5)
        self.maskColorButton.clicked.connect(self.mw.editMaskingColor)

        # Highlighting options
        self.hlCheck = QCheckBox('')
        self.hlCheck.stateChanged.connect(self.mw.toggleHighlighting)

        self.hlColorButton = QPushButton()
        self.hlColorButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.hlColorButton.setFixedWidth(self.FM.width("XXXXXXXXXX"))
        self.hlColorButton.setFixedHeight(self.FM.height() * 1.5)
        self.hlColorButton.clicked.connect(self.mw.editHighlightColor)

        self.alphaBox = QDoubleSpinBox()
        self.alphaBox.setRange(0, 1)
        self.alphaBox.setSingleStep(.05)
        self.alphaBox.valueChanged.connect(self.mw.editAlpha)

        self.seedBox = QSpinBox()
        self.seedBox.setRange(1, 999)
        self.seedBox.valueChanged.connect(self.mw.editSeed)

        # General options
        self.bgButton = QPushButton()
        self.bgButton.setCursor(QtCore.Qt.PointingHandCursor)
        self.bgButton.setFixedWidth(self.FM.width("XXXXXXXXXX"))
        self.bgButton.setFixedHeight(self.FM.height() * 1.5)
        self.bgButton.clicked.connect(self.mw.editBackgroundColor)

        self.colorbyBox = QComboBox(self)
        self.colorbyBox.addItem("material")
        self.colorbyBox.addItem("cell")
        self.colorbyBox.currentTextChanged[str].connect(self.mw.editColorBy)

        formLayout = QFormLayout()
        formLayout.setAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setFormAlignment(QtCore.Qt.AlignHCenter)
        formLayout.setLabelAlignment(QtCore.Qt.AlignLeft)
        #formLayout.setFieldGrowthPolicy(QFormLayout.AllNonFixedFieldsGrow)

        formLayout.addRow('Masking:', self.maskingCheck)
        formLayout.addRow('Mask Color:', self.maskColorButton)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Highlighting:', self.hlCheck)
        formLayout.addRow('Highlight Color:', self.hlColorButton)
        formLayout.addRow('Highlight Alpha:', self.alphaBox)
        formLayout.addRow('Highlight Seed:', self.seedBox)
        formLayout.addRow(HorizontalLine())
        formLayout.addRow('Background Color:          ', self.bgButton)
        formLayout.addRow('Color Plot By:', self.colorbyBox)

        generalLayout = QHBoxLayout()
        innerWidget = QWidget()
        generalLayout.setAlignment(QtCore.Qt.AlignVCenter)
        innerWidget.setLayout(formLayout)
        generalLayout.addStretch(1)
        generalLayout.addWidget(innerWidget)
        generalLayout.addStretch(1)

        self.generalTab = QWidget()
        self.generalTab.setLayout(generalLayout)

    def createDomainTable(self, domainmodel):

        domainTable = QTableView()
        domainTable.setModel(domainmodel)
        domainTable.setItemDelegate(DomainDelegate(domainTable))
        domainTable.verticalHeader().setVisible(False)
        domainTable.resizeColumnsToContents()
        domainTable.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        domainTable.horizontalHeader().setSectionResizeMode(
            1, QHeaderView.Stretch)

        return domainTable

    def createDomainTab(self, domaintable):

        domainTab = QWidget()
        domainTab.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
        domainLayout = QVBoxLayout()
        domainLayout.addWidget(domaintable)
        domainTab.setLayout(domainLayout)

        return domainTab

    def createButtonBox(self):

        applyButton = QPushButton("Apply Changes")
        applyButton.clicked.connect(self.mw.applyChanges)
        closeButton = QPushButton("Close")
        closeButton.clicked.connect(self.hide)

        buttonLayout = QHBoxLayout()
        buttonLayout.addStretch(1)
        buttonLayout.addWidget(applyButton)
        buttonLayout.addWidget(closeButton)

        self.buttonBox = QWidget()
        self.buttonBox.setLayout(buttonLayout)

    def updateDialogValues(self):

        self.updateMasking()
        self.updateMaskingColor()
        self.updateHighlighting()
        self.updateHighlightColor()
        self.updateAlpha()
        self.updateSeed()
        self.updateBackgroundColor()
        self.updateColorBy()

        self.updateDomainTabs()

    def updateMasking(self):
        masking = self.model.activeView.masking

        self.maskingCheck.setChecked(masking)
        self.maskColorButton.setDisabled(not masking)

        if masking:
            self.cellTable.showColumn(4)
            self.matTable.showColumn(4)
        else:
            self.cellTable.hideColumn(4)
            self.matTable.hideColumn(4)

    def updateMaskingColor(self):
        color = self.model.activeView.maskBackground
        self.maskColorButton.setStyleSheet("border-radius: 8px;"
                                           "background-color: rgb%s" %
                                           (str(color)))

    def updateHighlighting(self):
        highlighting = self.model.activeView.highlighting

        self.hlCheck.setChecked(highlighting)
        self.hlColorButton.setDisabled(not highlighting)
        self.alphaBox.setDisabled(not highlighting)
        self.seedBox.setDisabled(not highlighting)

        if highlighting:
            self.cellTable.showColumn(5)
            self.cellTable.hideColumn(2)
            self.cellTable.hideColumn(3)
            self.matTable.showColumn(5)
            self.matTable.hideColumn(2)
            self.matTable.hideColumn(3)
        else:
            self.cellTable.hideColumn(5)
            self.cellTable.showColumn(2)
            self.cellTable.showColumn(3)
            self.matTable.hideColumn(5)
            self.matTable.showColumn(2)
            self.matTable.showColumn(3)

    def updateHighlightColor(self):
        color = self.model.activeView.highlightBackground
        self.hlColorButton.setStyleSheet("border-radius: 8px;"
                                         "background-color: rgb%s" %
                                         (str(color)))

    def updateAlpha(self):
        self.alphaBox.setValue(self.model.activeView.highlightAlpha)

    def updateSeed(self):
        self.seedBox.setValue(self.model.activeView.highlightSeed)

    def updateBackgroundColor(self):
        color = self.model.activeView.plotBackground
        self.bgButton.setStyleSheet("border-radius: 8px;"
                                    "background-color: rgb%s" % (str(color)))

    def updateColorBy(self):
        self.colorbyBox.setCurrentText(self.model.activeView.colorby)

    def updateDomainTabs(self):
        self.cellTable.setModel(self.mw.cellsModel)
        self.matTable.setModel(self.mw.materialsModel)
Beispiel #4
0
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
        self.hklfname = ""
        self.handshakewait = 5
        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
            if 'htmlfname' in e:
                self.hklfname = e.split("htmlfname=")[1]
            if 'handshakewait' in e:
                self.handshakewait = e.split('handshakewait=')[1]

        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(255, 255, 255, 0.0))

                    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
                                                     }
                             """)
            self.SliceLabelComboBox.setEnabled(True)
            self.sliceindexspinBox.setEnabled(True)
        else:
            self.NGL_HKL_command("""NGL_HKLviewer.viewer {
                                                      slice_mode = False
                                                      inbrowser = True
                                                    }
                            """)
            self.SliceLabelComboBox.setDisabled(True)
            self.sliceindexspinBox.setDisabled(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)
            bin_opacitieslst = []
            for i in range(self.nbins):
                bin_opacitieslst.append("1.0, %d" % i)
            self.bin_opacities = str(bin_opacitieslst)
            self.OpaqueAllCheckbox.setCheckState(Qt.Checked)
            #self.OpaqueAllCheckbox.setTristate(false)
            #self.NGL_HKL_command('NGL_HKLviewer.viewer.NGL.bin_opacities = "%s"' %self.bin_opacities)

    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.SliceLabelComboBox.setDisabled(True)
        self.sliceindexspinBox.setDisabled(True)

        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 = 0.33
        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 = 1.5
        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.setCheckState(Qt.Checked)
        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 -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, htmlfname=\'%s\', handshakewait=%s )"\n'\
           %(self.verbose, str(self.UseOSbrowser), self.hklfname, self.handshakewait)
        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"))
class FilterGroup(AbstractProcessGroup):
    def __init__(self, title, fs):
        AbstractProcessGroup.__init__(self, title, fs)

        self.setupFilterLayout()

    def setupFilterLayout(self):
        filterLayout = QVBoxLayout(self)
        filterSettLayout = QHBoxLayout()

        self.filterBandChooser = QComboBox()
        self.filterTypeChooser = QComboBox()
        filterTypeLayout = QFormLayout()

        filterTypeLayout.addWidget(QLabel('Type'))
        filterTypeLayout.addWidget(self.filterBandChooser)
        bandTypes = {
            'Low Pass': '******',
            'Band Pass': '******',
            'High Pass': '******',
            'Band Stop': 'bandstop'
        }
        [self.filterBandChooser.addItem(i, bandTypes[i]) for i in bandTypes]
        self.filterBandChooser.setCurrentText('Band Pass')
        filterTypeLayout.addWidget(self.filterTypeChooser)
        filterTypes = {'Butter': 'butter', 'Bessel': 'bessel'}
        [
            self.filterTypeChooser.addItem(i, filterTypes[i])
            for i in filterTypes
        ]

        self.lowFreqEdit = QDoubleSpinBox()
        self.lowFreqEdit.setSuffix(' Hz')
        self.lowFreqEdit.setDecimals(1)
        self.lowFreqEdit.setRange(0.1, self.fs / 2 - 0.1)
        self.highFreqEdit = QDoubleSpinBox()
        self.highFreqEdit.setSuffix(' Hz')
        self.highFreqEdit.setDecimals(1)
        self.highFreqEdit.setLocale(
            QLocale(QLocale.Polish, QLocale.EuropeanUnion))
        self.highFreqEdit.setRange(0.1, self.fs / 2 - 0.1)
        self.filterBandChooser.currentTextChanged.connect(self.setFilterBand)
        filterFreqLayout = QFormLayout()
        filterFreqLayout.addRow(QLabel('Cutoff Frequencies'))
        filterFreqLayout.addRow('Low', self.lowFreqEdit)
        filterFreqLayout.addRow('High', self.highFreqEdit)

        filterOrdLayout = QFormLayout()
        self.filterOrdEdit = QSpinBox()
        self.filterOrdEdit.setMinimum(1)
        self.filterOrdEdit.setValue(5)
        filterOrdLayout.addRow(QLabel('Order'))
        filterOrdLayout.addRow(self.filterOrdEdit)

        filterSettLayout.addLayout(filterTypeLayout)
        filterSettLayout.addSpacing(10)
        filterSettLayout.addLayout(filterFreqLayout)
        filterSettLayout.addSpacing(10)
        filterSettLayout.addLayout(filterOrdLayout)

        btn = QPushButton('Show filter response')
        btn.clicked.connect(self.showFilterResponse)

        filterLayout.addLayout(filterSettLayout)
        filterLayout.addWidget(btn, 0, Qt.AlignRight)

    def setFilterBand(self):
        if self.filterBandChooser.currentText() == 'Low Pass':
            self.lowFreqEdit.setDisabled(True)
        else:
            self.lowFreqEdit.setEnabled(True)
        if self.filterBandChooser.currentText() == 'High Pass':
            self.highFreqEdit.setDisabled(True)
        else:
            self.highFreqEdit.setEnabled(True)

    def calcFilter(self):
        bandArr = [
            x.value() for x in (self.lowFreqEdit, self.highFreqEdit)
            if x.isEnabled() == True
        ]
        return filterCalc(order=self.filterOrdEdit.value(),
                          bandarr=bandArr,
                          fs=self.fs,
                          btype=self.filterBandChooser.currentData(),
                          ftype=self.filterTypeChooser.currentData())

    def showFilterResponse(self):
        bandArr = [
            x.value() for x in (self.lowFreqEdit, self.highFreqEdit)
            if x.isEnabled() == True
        ]
        b, a = self.calcFilter()
        w, h = signal.freqz(b, a)
        fig = plt.figure()
        ax1 = fig.add_subplot(111)
        ax1.set_title(
            label='Filter frequency response\n{}, {}, {}Hz, ord={}'.format(
                self.filterBandChooser.currentText(),
                self.filterTypeChooser.currentText(), bandArr,
                self.filterOrdEdit.value()))
        ax1.plot(w * (self.fs / (2 * np.pi)), 20 * np.log10(abs(h)), 'b')
        ax1.set_ylabel('Amplitude [dB]', color='b')
        ax1.set_xlabel('Frequency [Hz]')
        ax1.tick_params(axis='y', colors='b')
        ax2 = ax1.twinx()
        angles = np.unwrap(np.angle(h))
        ax2.plot(w * (self.fs / (2 * np.pi)), angles, 'g')
        ax2.set_ylabel('Angle (radians)', color='g')
        ax2.tick_params(axis='y', colors='g')
        plt.grid()
        plt.axis('tight')
        plt.show()

    def process(self, inData):
        b, a = self.calcFilter()
        outData = []
        progStep = 100.0 / len(inData)
        prog = 0
        for data in inData:
            newData = signal.lfilter(b, a, data)
            outData.append(newData)
            prog = prog + progStep
            self.progress.emit(int(prog))
        return outData