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Diffstat (limited to 'silx/gui/widgets/PeriodicTable.py')
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diff --git a/silx/gui/widgets/PeriodicTable.py b/silx/gui/widgets/PeriodicTable.py deleted file mode 100644 index 0233e8c..0000000 --- a/silx/gui/widgets/PeriodicTable.py +++ /dev/null @@ -1,831 +0,0 @@ -# coding: utf-8 -# /*########################################################################## -# -# Copyright (c) 2004-2018 European Synchrotron Radiation Facility -# -# Permission is hereby granted, free of charge, to any person obtaining a copy -# of this software and associated documentation files (the "Software"), to deal -# in the Software without restriction, including without limitation the rights -# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell -# copies of the Software, and to permit persons to whom the Software is -# furnished to do so, subject to the following conditions: -# -# The above copyright notice and this permission notice shall be included in -# all copies or substantial portions of the Software. -# -# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR -# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, -# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE -# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER -# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, -# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN -# THE SOFTWARE. -# -# ###########################################################################*/ -"""Periodic table widgets - -Classes -------- - -Widgets: - - - :class:`PeriodicTable` - - :class:`PeriodicList` - - :class:`PeriodicCombo` - -Data model: - - - :class:`PeriodicTableItem` - - :class:`ColoredPeriodicTableItem` - - -Example of usage ----------------- - -This example uses the widgets with the standard builtin elements list. - -.. code-block:: python - - from silx.gui import qt - from silx.gui.widgets.PeriodicTable import PeriodicTable, \ - PeriodicCombo, PeriodicList - - a = qt.QApplication([]) - - w = qt.QTabWidget() - - ptable = PeriodicTable(w, selectable=True) - pcombo = PeriodicCombo(w) - plist = PeriodicList(w) - - w.addTab(ptable, "PeriodicTable") - w.addTab(plist, "PeriodicList") - w.addTab(pcombo, "PeriodicCombo") - - ptable.setSelection(['H', 'Fe', 'Si']) - plist.setSelectedElements(['H', 'Be', 'F']) - pcombo.setSelection("Li") - - def change_list(items): - print("New list selection:", [item.symbol for item in items]) - - def change_combo(item): - print("New combo selection:", item.symbol) - - def click_table(item): - print("New table click:", item.symbol) - - def change_table(items): - print("New table selection:", [item.symbol for item in items]) - - ptable.sigElementClicked.connect(click_table) - ptable.sigSelectionChanged.connect(change_table) - plist.sigSelectionChanged.connect(change_list) - pcombo.sigSelectionChanged.connect(change_combo) - - w.show() - a.exec_() - - -The second example explains how to define custom elements. - -.. code-block:: python - - from silx.gui import qt - from silx.gui.widgets.PeriodicTable import PeriodicTable, \ - PeriodicCombo, PeriodicList - from silx.gui.widgets.PeriodicTable import PeriodicTableItem - - # subclass PeriodicTableItem - class MyPeriodicTableItem(PeriodicTableItem): - "New item with added mass number and number of protons" - def __init__(self, symbol, Z, A, col, row, name, mass, - subcategory=""): - PeriodicTableItem.__init__( - self, symbol, Z, col, row, name, mass, - subcategory) - - self.A = A - "Mass number (neutrons + protons)" - - self.num_neutrons = A - Z - "Number of neutrons" - - # build your list of elements - my_elements = [MyPeriodicTableItem("H", 1, 1, 1, 1, "hydrogen", - 1.00800, "diatomic nonmetal"), - MyPeriodicTableItem("He", 2, 4, 18, 1, "helium", - 4.0030, "noble gas"), - # etc ... - ] - - app = qt.QApplication([]) - - ptable = PeriodicTable(elements=my_elements, selectable=True) - ptable.show() - - def click_table(item): - "Callback function printing the mass number of clicked element" - print("New table click, mass number:", item.A) - - ptable.sigElementClicked.connect(click_table) - app.exec_() - -""" - -__authors__ = ["E. Papillon", "V.A. Sole", "P. Knobel"] -__license__ = "MIT" -__date__ = "26/01/2017" - -from collections import OrderedDict -import logging -from silx.gui import qt - -_logger = logging.getLogger(__name__) - -# Symbol Atomic Number col row name mass subcategory -_elements = [("H", 1, 1, 1, "hydrogen", 1.00800, "diatomic nonmetal"), - ("He", 2, 18, 1, "helium", 4.0030, "noble gas"), - ("Li", 3, 1, 2, "lithium", 6.94000, "alkali metal"), - ("Be", 4, 2, 2, "beryllium", 9.01200, "alkaline earth metal"), - ("B", 5, 13, 2, "boron", 10.8110, "metalloid"), - ("C", 6, 14, 2, "carbon", 12.0100, "polyatomic nonmetal"), - ("N", 7, 15, 2, "nitrogen", 14.0080, "diatomic nonmetal"), - ("O", 8, 16, 2, "oxygen", 16.0000, "diatomic nonmetal"), - ("F", 9, 17, 2, "fluorine", 19.0000, "diatomic nonmetal"), - ("Ne", 10, 18, 2, "neon", 20.1830, "noble gas"), - ("Na", 11, 1, 3, "sodium", 22.9970, "alkali metal"), - ("Mg", 12, 2, 3, "magnesium", 24.3200, "alkaline earth metal"), - ("Al", 13, 13, 3, "aluminium", 26.9700, "post transition metal"), - ("Si", 14, 14, 3, "silicon", 28.0860, "metalloid"), - ("P", 15, 15, 3, "phosphorus", 30.9750, "polyatomic nonmetal"), - ("S", 16, 16, 3, "sulphur", 32.0660, "polyatomic nonmetal"), - ("Cl", 17, 17, 3, "chlorine", 35.4570, "diatomic nonmetal"), - ("Ar", 18, 18, 3, "argon", 39.9440, "noble gas"), - ("K", 19, 1, 4, "potassium", 39.1020, "alkali metal"), - ("Ca", 20, 2, 4, "calcium", 40.0800, "alkaline earth metal"), - ("Sc", 21, 3, 4, "scandium", 44.9600, "transition metal"), - ("Ti", 22, 4, 4, "titanium", 47.9000, "transition metal"), - ("V", 23, 5, 4, "vanadium", 50.9420, "transition metal"), - ("Cr", 24, 6, 4, "chromium", 51.9960, "transition metal"), - ("Mn", 25, 7, 4, "manganese", 54.9400, "transition metal"), - ("Fe", 26, 8, 4, "iron", 55.8500, "transition metal"), - ("Co", 27, 9, 4, "cobalt", 58.9330, "transition metal"), - ("Ni", 28, 10, 4, "nickel", 58.6900, "transition metal"), - ("Cu", 29, 11, 4, "copper", 63.5400, "transition metal"), - ("Zn", 30, 12, 4, "zinc", 65.3800, "transition metal"), - ("Ga", 31, 13, 4, "gallium", 69.7200, "post transition metal"), - ("Ge", 32, 14, 4, "germanium", 72.5900, "metalloid"), - ("As", 33, 15, 4, "arsenic", 74.9200, "metalloid"), - ("Se", 34, 16, 4, "selenium", 78.9600, "polyatomic nonmetal"), - ("Br", 35, 17, 4, "bromine", 79.9200, "diatomic nonmetal"), - ("Kr", 36, 18, 4, "krypton", 83.8000, "noble gas"), - ("Rb", 37, 1, 5, "rubidium", 85.4800, "alkali metal"), - ("Sr", 38, 2, 5, "strontium", 87.6200, "alkaline earth metal"), - ("Y", 39, 3, 5, "yttrium", 88.9050, "transition metal"), - ("Zr", 40, 4, 5, "zirconium", 91.2200, "transition metal"), - ("Nb", 41, 5, 5, "niobium", 92.9060, "transition metal"), - ("Mo", 42, 6, 5, "molybdenum", 95.9500, "transition metal"), - ("Tc", 43, 7, 5, "technetium", 99.0000, "transition metal"), - ("Ru", 44, 8, 5, "ruthenium", 101.0700, "transition metal"), - ("Rh", 45, 9, 5, "rhodium", 102.9100, "transition metal"), - ("Pd", 46, 10, 5, "palladium", 106.400, "transition metal"), - ("Ag", 47, 11, 5, "silver", 107.880, "transition metal"), - ("Cd", 48, 12, 5, "cadmium", 112.410, "transition metal"), - ("In", 49, 13, 5, "indium", 114.820, "post transition metal"), - ("Sn", 50, 14, 5, "tin", 118.690, "post transition metal"), - ("Sb", 51, 15, 5, "antimony", 121.760, "metalloid"), - ("Te", 52, 16, 5, "tellurium", 127.600, "metalloid"), - ("I", 53, 17, 5, "iodine", 126.910, "diatomic nonmetal"), - ("Xe", 54, 18, 5, "xenon", 131.300, "noble gas"), - ("Cs", 55, 1, 6, "caesium", 132.910, "alkali metal"), - ("Ba", 56, 2, 6, "barium", 137.360, "alkaline earth metal"), - ("La", 57, 3, 6, "lanthanum", 138.920, "lanthanide"), - ("Ce", 58, 4, 9, "cerium", 140.130, "lanthanide"), - ("Pr", 59, 5, 9, "praseodymium", 140.920, "lanthanide"), - ("Nd", 60, 6, 9, "neodymium", 144.270, "lanthanide"), - ("Pm", 61, 7, 9, "promethium", 147.000, "lanthanide"), - ("Sm", 62, 8, 9, "samarium", 150.350, "lanthanide"), - ("Eu", 63, 9, 9, "europium", 152.000, "lanthanide"), - ("Gd", 64, 10, 9, "gadolinium", 157.260, "lanthanide"), - ("Tb", 65, 11, 9, "terbium", 158.930, "lanthanide"), - ("Dy", 66, 12, 9, "dysprosium", 162.510, "lanthanide"), - ("Ho", 67, 13, 9, "holmium", 164.940, "lanthanide"), - ("Er", 68, 14, 9, "erbium", 167.270, "lanthanide"), - ("Tm", 69, 15, 9, "thulium", 168.940, "lanthanide"), - ("Yb", 70, 16, 9, "ytterbium", 173.040, "lanthanide"), - ("Lu", 71, 17, 9, "lutetium", 174.990, "lanthanide"), - ("Hf", 72, 4, 6, "hafnium", 178.500, "transition metal"), - ("Ta", 73, 5, 6, "tantalum", 180.950, "transition metal"), - ("W", 74, 6, 6, "tungsten", 183.920, "transition metal"), - ("Re", 75, 7, 6, "rhenium", 186.200, "transition metal"), - ("Os", 76, 8, 6, "osmium", 190.200, "transition metal"), - ("Ir", 77, 9, 6, "iridium", 192.200, "transition metal"), - ("Pt", 78, 10, 6, "platinum", 195.090, "transition metal"), - ("Au", 79, 11, 6, "gold", 197.200, "transition metal"), - ("Hg", 80, 12, 6, "mercury", 200.610, "transition metal"), - ("Tl", 81, 13, 6, "thallium", 204.390, "post transition metal"), - ("Pb", 82, 14, 6, "lead", 207.210, "post transition metal"), - ("Bi", 83, 15, 6, "bismuth", 209.000, "post transition metal"), - ("Po", 84, 16, 6, "polonium", 209.000, "post transition metal"), - ("At", 85, 17, 6, "astatine", 210.000, "metalloid"), - ("Rn", 86, 18, 6, "radon", 222.000, "noble gas"), - ("Fr", 87, 1, 7, "francium", 223.000, "alkali metal"), - ("Ra", 88, 2, 7, "radium", 226.000, "alkaline earth metal"), - ("Ac", 89, 3, 7, "actinium", 227.000, "actinide"), - ("Th", 90, 4, 10, "thorium", 232.000, "actinide"), - ("Pa", 91, 5, 10, "proactinium", 231.03588, "actinide"), - ("U", 92, 6, 10, "uranium", 238.070, "actinide"), - ("Np", 93, 7, 10, "neptunium", 237.000, "actinide"), - ("Pu", 94, 8, 10, "plutonium", 239.100, "actinide"), - ("Am", 95, 9, 10, "americium", 243, "actinide"), - ("Cm", 96, 10, 10, "curium", 247, "actinide"), - ("Bk", 97, 11, 10, "berkelium", 247, "actinide"), - ("Cf", 98, 12, 10, "californium", 251, "actinide"), - ("Es", 99, 13, 10, "einsteinium", 252, "actinide"), - ("Fm", 100, 14, 10, "fermium", 257, "actinide"), - ("Md", 101, 15, 10, "mendelevium", 258, "actinide"), - ("No", 102, 16, 10, "nobelium", 259, "actinide"), - ("Lr", 103, 17, 10, "lawrencium", 262, "actinide"), - ("Rf", 104, 4, 7, "rutherfordium", 261, "transition metal"), - ("Db", 105, 5, 7, "dubnium", 262, "transition metal"), - ("Sg", 106, 6, 7, "seaborgium", 266, "transition metal"), - ("Bh", 107, 7, 7, "bohrium", 264, "transition metal"), - ("Hs", 108, 8, 7, "hassium", 269, "transition metal"), - ("Mt", 109, 9, 7, "meitnerium", 268)] - - -class PeriodicTableItem(object): - """Periodic table item, used as generic item in :class:`PeriodicTable`, - :class:`PeriodicCombo` and :class:`PeriodicList`. - - This implementation stores the minimal amount of information needed by the - widgets: - - - atomic symbol - - atomic number - - element name - - atomic mass - - column of element in periodic table - - row of element in periodic table - - You can subclass this class to add additional information. - - :param str symbol: Atomic symbol (e.g. H, He, Li...) - :param int Z: Proton number - :param int col: 1-based column index of element in periodic table - :param int row: 1-based row index of element in periodic table - :param str name: PeriodicTableItem name ("hydrogen", ...) - :param float mass: Atomic mass (gram per mol) - :param str subcategory: Subcategory, based on physical properties - (e.g. "alkali metal", "noble gas"...) - """ - def __init__(self, symbol, Z, col, row, name, mass, - subcategory=""): - self.symbol = symbol - """Atomic symbol (e.g. H, He, Li...)""" - self.Z = Z - """Atomic number (Proton number)""" - self.col = col - """1-based column index of element in periodic table""" - self.row = row - """1-based row index of element in periodic table""" - self.name = name - """PeriodicTableItem name ("hydrogen", ...)""" - self.mass = mass - """Atomic mass (gram per mol)""" - self.subcategory = subcategory - """Subcategory, based on physical properties - (e.g. "alkali metal", "noble gas"...)""" - - # pymca compatibility (elements used to be stored as a list of lists) - def __getitem__(self, idx): - if idx == 6: - _logger.warning("density not implemented in silx, returning 0.") - - ret = [self.symbol, self.Z, - self.col, self.row, - self.name, self.mass, - 0.] - return ret[idx] - - def __len__(self): - return 6 - - -class ColoredPeriodicTableItem(PeriodicTableItem): - """:class:`PeriodicTableItem` with an added :attr:`bgcolor`. - The background color can be passed as a parameter to the constructor. - If it is not specified, it will be defined based on - :attr:`subcategory`. - - :param str bgcolor: Custom background color for element in - periodic table, as a RGB string *#RRGGBB*""" - COLORS = { - "diatomic nonmetal": "#7FFF00", # chartreuse - "noble gas": "#00FFFF", # cyan - "alkali metal": "#FFE4B5", # Moccasin - "alkaline earth metal": "#FFA500", # orange - "polyatomic nonmetal": "#7FFFD4", # aquamarine - "transition metal": "#FFA07A", # light salmon - "metalloid": "#8FBC8F", # Dark Sea Green - "post transition metal": "#D3D3D3", # light gray - "lanthanide": "#FFB6C1", # light pink - "actinide": "#F08080", # Light Coral - "": "#FFFFFF" # white - } - """Dictionary defining RGB colors for each subcategory.""" - - def __init__(self, symbol, Z, col, row, name, mass, - subcategory="", bgcolor=None): - PeriodicTableItem.__init__(self, symbol, Z, col, row, name, mass, - subcategory) - - self.bgcolor = self.COLORS.get(subcategory, "#FFFFFF") - """Background color of element in the periodic table, - based on its subcategory. This should be a string of a hexadecimal - RGB code, with the format *#RRGGBB*. - If the subcategory is unknown, use white (*#FFFFFF*) - """ - - # possible custom color - if bgcolor is not None: - self.bgcolor = bgcolor - - -_defaultTableItems = [ColoredPeriodicTableItem(*info) for info in _elements] - - -class _ElementButton(qt.QPushButton): - """Atomic element button, used as a cell in the periodic table - """ - sigElementEnter = qt.pyqtSignal(object) - """Signal emitted as the cursor enters the widget""" - sigElementLeave = qt.pyqtSignal(object) - """Signal emitted as the cursor leaves the widget""" - sigElementClicked = qt.pyqtSignal(object) - """Signal emitted when the widget is clicked""" - - def __init__(self, item, parent=None): - """ - - :param parent: Parent widget - :param PeriodicTableItem item: :class:`PeriodicTableItem` object - """ - qt.QPushButton.__init__(self, parent) - - self.item = item - """:class:`PeriodicTableItem` object represented by this button""" - - self.setText(item.symbol) - self.setFlat(1) - self.setCheckable(0) - - self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, - qt.QSizePolicy.Expanding)) - - self.selected = False - self.current = False - - # selection colors - self.selected_color = qt.QColor(qt.Qt.yellow) - self.current_color = qt.QColor(qt.Qt.gray) - self.selected_current_color = qt.QColor(qt.Qt.darkYellow) - - # element colors - - if hasattr(item, "bgcolor"): - self.bgcolor = qt.QColor(item.bgcolor) - else: - self.bgcolor = qt.QColor("#FFFFFF") - - self.brush = qt.QBrush() - self.__setBrush() - - self.clicked.connect(self.clickedSlot) - - def sizeHint(self): - return qt.QSize(40, 40) - - def setCurrent(self, b): - """Set this element button as current. - Multiple buttons can be selected. - - :param b: boolean - """ - self.current = b - self.__setBrush() - - def isCurrent(self): - """ - :return: True if element button is current - """ - return self.current - - def isSelected(self): - """ - :return: True if element button is selected - """ - return self.selected - - def setSelected(self, b): - """Set this element button as selected. - Only a single button can be selected. - - :param b: boolean - """ - self.selected = b - self.__setBrush() - - def __setBrush(self): - """Selected cells are yellow when not current. - The current cell is dark yellow when selected or grey when not - selected. - Other cells have no bg color by default, unless specified at - instantiation (:attr:`bgcolor`)""" - palette = self.palette() - # if self.current and self.selected: - # self.brush = qt.QBrush(self.selected_current_color) - # el - if self.selected: - self.brush = qt.QBrush(self.selected_color) - # elif self.current: - # self.brush = qt.QBrush(self.current_color) - elif self.bgcolor is not None: - self.brush = qt.QBrush(self.bgcolor) - else: - self.brush = qt.QBrush() - palette.setBrush(self.backgroundRole(), - self.brush) - self.setPalette(palette) - self.update() - - def paintEvent(self, pEvent): - # get button geometry - widgGeom = self.rect() - paintGeom = qt.QRect(widgGeom.left() + 1, - widgGeom.top() + 1, - widgGeom.width() - 2, - widgGeom.height() - 2) - - # paint background color - painter = qt.QPainter(self) - if self.brush is not None: - painter.fillRect(paintGeom, self.brush) - # paint frame - pen = qt.QPen(qt.Qt.black) - pen.setWidth(1 if not self.isCurrent() else 5) - painter.setPen(pen) - painter.drawRect(paintGeom) - painter.end() - qt.QPushButton.paintEvent(self, pEvent) - - def enterEvent(self, e): - """Emit a :attr:`sigElementEnter` signal and send a - :class:`PeriodicTableItem` object""" - self.sigElementEnter.emit(self.item) - - def leaveEvent(self, e): - """Emit a :attr:`sigElementLeave` signal and send a - :class:`PeriodicTableItem` object""" - self.sigElementLeave.emit(self.item) - - def clickedSlot(self): - """Emit a :attr:`sigElementClicked` signal and send a - :class:`PeriodicTableItem` object""" - self.sigElementClicked.emit(self.item) - - -class PeriodicTable(qt.QWidget): - """Periodic Table widget - - .. image:: img/PeriodicTable.png - - The following example shows how to connect clicking to selection:: - - from silx.gui import qt - from silx.gui.widgets.PeriodicTable import PeriodicTable - app = qt.QApplication([]) - pt = PeriodicTable() - pt.sigElementClicked.connect(pt.elementToggle) - pt.show() - app.exec_() - - To print all selected elements each time a new element is selected:: - - def my_slot(item): - pt.elementToggle(item) - selected_elements = pt.getSelection() - for e in selected_elements: - print(e.symbol) - - pt.sigElementClicked.connect(my_slot) - - """ - sigElementClicked = qt.pyqtSignal(object) - """When any element is clicked in the table, the widget emits - this signal and sends a :class:`PeriodicTableItem` object. - """ - - sigSelectionChanged = qt.pyqtSignal(object) - """When any element is selected/unselected in the table, the widget emits - this signal and sends a list of :class:`PeriodicTableItem` objects. - - .. note:: - - To enable selection of elements, you must set *selectable=True* - when you instantiate the widget. Alternatively, you can also connect - :attr:`sigElementClicked` to :meth:`elementToggle` manually:: - - pt = PeriodicTable() - pt.sigElementClicked.connect(pt.elementToggle) - - - :param parent: parent QWidget - :param str name: Widget window title - :param elements: List of items (:class:`PeriodicTableItem` objects) to - be represented in the table. By default, take elements from - a predefined list with minimal information (symbol, atomic number, - name, mass). - :param bool selectable: If *True*, multiple elements can be - selected by clicking with the mouse. If *False* (default), - selection is only possible with method :meth:`setSelection`. - """ - - def __init__(self, parent=None, name="PeriodicTable", elements=None, - selectable=False): - self.selectable = selectable - qt.QWidget.__init__(self, parent) - self.setWindowTitle(name) - self.gridLayout = qt.QGridLayout(self) - self.gridLayout.setContentsMargins(0, 0, 0, 0) - self.gridLayout.addItem(qt.QSpacerItem(0, 5), 7, 0) - - for idx in range(10): - self.gridLayout.setRowStretch(idx, 3) - # row 8 (above lanthanoids is empty) - self.gridLayout.setRowStretch(7, 2) - - # Element information displayed when cursor enters a cell - self.eltLabel = qt.QLabel(self) - f = self.eltLabel.font() - f.setBold(1) - self.eltLabel.setFont(f) - self.eltLabel.setAlignment(qt.Qt.AlignHCenter) - self.gridLayout.addWidget(self.eltLabel, 1, 1, 3, 10) - - self._eltCurrent = None - """Current :class:`_ElementButton` (last clicked)""" - - self._eltButtons = OrderedDict() - """Dictionary of all :class:`_ElementButton`. Keys are the symbols - ("H", "He", "Li"...)""" - - if elements is None: - elements = _defaultTableItems - # fill cells with elements - for elmt in elements: - self.__addElement(elmt) - - def __addElement(self, elmt): - """Add one :class:`_ElementButton` widget into the grid, - connect its signals to interact with the cursor""" - b = _ElementButton(elmt, self) - b.setAutoDefault(False) - - self._eltButtons[elmt.symbol] = b - self.gridLayout.addWidget(b, elmt.row, elmt.col) - - b.sigElementEnter.connect(self.elementEnter) - b.sigElementLeave.connect(self._elementLeave) - b.sigElementClicked.connect(self._elementClicked) - - def elementEnter(self, item): - """Update label with element info (e.g. "Nb(41) - niobium") - when mouse cursor hovers an element. - - :param PeriodicTableItem item: Element entered by cursor - """ - self.eltLabel.setText("%s(%d) - %s" % (item.symbol, item.Z, item.name)) - - def _elementLeave(self, item): - """Clear label when the cursor leaves the cell - - :param PeriodicTableItem item: Element left - """ - self.eltLabel.setText("") - - def _elementClicked(self, item): - """Emit :attr:`sigElementClicked`, - toggle selected state of element - - :param PeriodicTableItem item: Element clicked - """ - if self._eltCurrent is not None: - self._eltCurrent.setCurrent(False) - self._eltButtons[item.symbol].setCurrent(True) - self._eltCurrent = self._eltButtons[item.symbol] - if self.selectable: - self.elementToggle(item) - self.sigElementClicked.emit(item) - - def getSelection(self): - """Return a list of selected elements, as a list of :class:`PeriodicTableItem` - objects. - - :return: Selected items - :rtype: List[PeriodicTableItem] - """ - return [b.item for b in self._eltButtons.values() if b.isSelected()] - - def setSelection(self, symbols): - """Set selected elements. - - This causes the sigSelectionChanged signal - to be emitted, even if the selection didn't actually change. - - :param List[str] symbols: List of symbols of elements to be selected - (e.g. *["Fe", "Hg", "Li"]*) - """ - # accept list of PeriodicTableItems as input, because getSelection - # returns these objects and it makes sense to have getter and setter - # use same type of data - if isinstance(symbols[0], PeriodicTableItem): - symbols = [elmt.symbol for elmt in symbols] - - for (e, b) in self._eltButtons.items(): - b.setSelected(e in symbols) - self.sigSelectionChanged.emit(self.getSelection()) - - def setElementSelected(self, symbol, state): - """Modify *selected* status of a single element (select or unselect) - - :param str symbol: PeriodicTableItem symbol to be selected - :param bool state: *True* to select, *False* to unselect - """ - self._eltButtons[symbol].setSelected(state) - self.sigSelectionChanged.emit(self.getSelection()) - - def isElementSelected(self, symbol): - """Return *True* if element is selected, else *False* - - :param str symbol: PeriodicTableItem symbol - :return: *True* if element is selected, else *False* - """ - return self._eltButtons[symbol].isSelected() - - def elementToggle(self, item): - """Toggle selected/unselected state for element - - :param item: PeriodicTableItem object - """ - b = self._eltButtons[item.symbol] - b.setSelected(not b.isSelected()) - self.sigSelectionChanged.emit(self.getSelection()) - - -class PeriodicCombo(qt.QComboBox): - """ - Combo list with all atomic elements of the periodic table - - .. image:: img/PeriodicCombo.png - - :param bool detailed: True (default) display element symbol, Z and name. - False display only element symbol and Z. - :param elements: List of items (:class:`PeriodicTableItem` objects) to - be represented in the table. By default, take elements from - a predefined list with minimal information (symbol, atomic number, - name, mass). - """ - sigSelectionChanged = qt.pyqtSignal(object) - """Signal emitted when the selection changes. Send - :class:`PeriodicTableItem` object representing selected - element - """ - - def __init__(self, parent=None, detailed=True, elements=None): - qt.QComboBox.__init__(self, parent) - - # add all elements from global list - if elements is None: - elements = _defaultTableItems - for i, elmt in enumerate(elements): - if detailed: - txt = "%2s (%d) - %s" % (elmt.symbol, elmt.Z, elmt.name) - else: - txt = "%2s (%d)" % (elmt.symbol, elmt.Z) - self.insertItem(i, txt) - - self.currentIndexChanged[int].connect(self.__selectionChanged) - - def __selectionChanged(self, idx): - """Emit :attr:`sigSelectionChanged`""" - self.sigSelectionChanged.emit(_defaultTableItems[idx]) - - def getSelection(self): - """Get selected element - - :return: Selected element - :rtype: PeriodicTableItem - """ - return _defaultTableItems[self.currentIndex()] - - def setSelection(self, symbol): - """Set selected item in combobox by giving the atomic symbol - - :param symbol: Symbol of element to be selected - """ - # accept PeriodicTableItem for getter/setter consistency - if isinstance(symbol, PeriodicTableItem): - symbol = symbol.symbol - symblist = [elmt.symbol for elmt in _defaultTableItems] - self.setCurrentIndex(symblist.index(symbol)) - - -class PeriodicList(qt.QTreeWidget): - """List of atomic elements in a :class:`QTreeView` - - .. image:: img/PeriodicList.png - - :param QWidget parent: Parent widget - :param bool detailed: True (default) display element symbol, Z and name. - False display only element symbol and Z. - :param single: *True* for single element selection with mouse click, - *False* for multiple element selection mode. - """ - sigSelectionChanged = qt.pyqtSignal(object) - """When any element is selected/unselected in the widget, it emits - this signal and sends a list of currently selected - :class:`PeriodicTableItem` objects. - """ - - def __init__(self, parent=None, detailed=True, single=False, elements=None): - qt.QTreeWidget.__init__(self, parent) - - self.detailed = detailed - - headers = ["Z", "Symbol"] - if detailed: - headers.append("Name") - self.setColumnCount(3) - else: - self.setColumnCount(2) - self.setHeaderLabels(headers) - self.header().setStretchLastSection(False) - - self.setRootIsDecorated(0) - self.itemClicked.connect(self.__selectionChanged) - self.setSelectionMode(qt.QAbstractItemView.SingleSelection if single - else qt.QAbstractItemView.ExtendedSelection) - self.__fill_widget(elements) - self.resizeColumnToContents(0) - self.resizeColumnToContents(1) - if detailed: - self.resizeColumnToContents(2) - - def __fill_widget(self, elements): - """Fill tree widget with elements """ - if elements is None: - elements = _defaultTableItems - - self.tree_items = [] - - previous_item = None - for elmt in elements: - if previous_item is None: - item = qt.QTreeWidgetItem(self) - else: - item = qt.QTreeWidgetItem(self, previous_item) - item.setText(0, str(elmt.Z)) - item.setText(1, elmt.symbol) - if self.detailed: - item.setText(2, elmt.name) - self.tree_items.append(item) - previous_item = item - - def __selectionChanged(self, treeItem, column): - """Emit a :attr:`sigSelectionChanged` and send a list of - :class:`PeriodicTableItem` objects.""" - self.sigSelectionChanged.emit(self.getSelection()) - - def getSelection(self): - """Get a list of selected elements, as a list of :class:`PeriodicTableItem` - objects. - - :return: Selected elements - :rtype: List[PeriodicTableItem]""" - return [_defaultTableItems[idx] for idx in range(len(self.tree_items)) - if self.tree_items[idx].isSelected()] - - # setSelection is a bad name (name of a QTreeWidget method) - def setSelectedElements(self, symbolList): - """ - - :param symbolList: List of atomic symbols ["H", "He", "Li"...] - to be selected in the widget - """ - # accept PeriodicTableItem for getter/setter consistency - if isinstance(symbolList[0], PeriodicTableItem): - symbolList = [elmt.symbol for elmt in symbolList] - for idx in range(len(self.tree_items)): - self.tree_items[idx].setSelected(_defaultTableItems[idx].symbol in symbolList) |