PeriodicTable: Atomic elements widgets

Periodic table widgets

Classes

Widgets:

• PeriodicTable

• PeriodicList

• PeriodicCombo

Data model:

• PeriodicTableItem

• ColoredPeriodicTableItem

Example of usage

This example uses the widgets with the standard builtin elements list.

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.

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()

Widgets

class PeriodicTable(parent=None, name='PeriodicTable', elements=None, selectable=False)

Bases: QWidget

Periodic Table widget

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

When any element is clicked in the table, the widget emits this signal and sends a PeriodicTableItem object.

sigSelectionChanged

When any element is selected/unselected in the table, the widget emits this signal and sends a list of PeriodicTableItem objects.

Note

To enable selection of elements, you must set selectable=True when you instantiate the widget. Alternatively, you can also connect sigElementClicked to elementToggle() manually:

pt = PeriodicTable()
pt.sigElementClicked.connect(pt.elementToggle)

Parameters:

• parent – parent QWidget

• name (str) – Widget window title

• elements – List of items (PeriodicTableItem objects) to be represented in the table. By default, take elements from a predefined list with minimal information (symbol, atomic number, name, mass).

• selectable (bool) – If True, multiple elements can be selected by clicking with the mouse. If False (default), selection is only possible with method setSelection().

getSelection()

Return a list of selected elements, as a list of PeriodicTableItem objects.

Returns:

Selected items

Return type:

List[PeriodicTableItem]

setSelection(symbols)

Set selected elements.

This causes the sigSelectionChanged signal to be emitted, even if the selection didn’t actually change.

Parameters:

symbols (List[str]) – List of symbols of elements to be selected (e.g. [“Fe”, “Hg”, “Li”])

setElementSelected(symbol, state)

Modify selected status of a single element (select or unselect)

Parameters:

• symbol (str) – PeriodicTableItem symbol to be selected

• state (bool) – True to select, False to unselect

isElementSelected(symbol)

Return True if element is selected, else False

Parameters:

symbol (str) – PeriodicTableItem symbol

Returns:

True if element is selected, else False

class PeriodicList(parent=None, detailed=True, single=False, elements=None)

Bases: QTreeWidget

List of atomic elements in a QTreeView

Parameters:

• parent (QWidget) – Parent widget

• detailed (bool) – True (default) display element symbol, Z and name. False display only element symbol and Z.

• single – True for single element selection with mouse click, False for multiple element selection mode.

sigSelectionChanged

When any element is selected/unselected in the widget, it emits this signal and sends a list of currently selected PeriodicTableItem objects.

getSelection()

Get a list of selected elements, as a list of PeriodicTableItem objects.

Returns:

Selected elements

Return type:

List[PeriodicTableItem]

setSelectedElements(symbolList)

Parameters:

symbolList – List of atomic symbols [“H”, “He”, “Li”…] to be selected in the widget

class PeriodicCombo(parent=None, detailed=True, elements=None)

Bases: QComboBox

Combo list with all atomic elements of the periodic table

Parameters:

• detailed (bool) – True (default) display element symbol, Z and name. False display only element symbol and Z.

• elements – List of items (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

Signal emitted when the selection changes. Send PeriodicTableItem object representing selected element

getSelection()

Get selected element

Returns:

Selected element

Return type:

PeriodicTableItem

setSelection(symbol)

Set selected item in combobox by giving the atomic symbol

Parameters:

symbol – Symbol of element to be selected

Data model

class PeriodicTableItem(symbol, Z, col, row, name, mass, subcategory='')

Periodic table item, used as generic item in PeriodicTable, PeriodicCombo and 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.

Parameters:

• symbol (str) – Atomic symbol (e.g. H, He, Li…)

• Z (int) – Proton number

• col (int) – 1-based column index of element in periodic table

• row (int) – 1-based row index of element in periodic table

• name (str) – PeriodicTableItem name (“hydrogen”, …)

• mass (float) – Atomic mass (gram per mol)

• subcategory (str) – Subcategory, based on physical properties (e.g. “alkali metal”, “noble gas”…)

symbol

Atomic symbol (e.g. H, He, Li…)

Z

Atomic number (Proton number)

col

1-based column index of element in periodic table

row

1-based row index of element in periodic table

name

PeriodicTableItem name (“hydrogen”, …)

mass

Atomic mass (gram per mol)

subcategory

Subcategory, based on physical properties (e.g. “alkali metal”, “noble gas”…)

class ColoredPeriodicTableItem(symbol, Z, col, row, name, mass, subcategory='', bgcolor=None)

Bases: PeriodicTableItem

PeriodicTableItem with an added bgcolor. The background color can be passed as a parameter to the constructor. If it is not specified, it will be defined based on subcategory.

Parameters:

bgcolor (str) – Custom background color for element in periodic table, as a RGB string #RRGGBB

COLORS = {'': '#FFFFFF', 'actinide': '#F08080', 'alkali metal': '#FFE4B5', 'alkaline earth metal': '#FFA500', 'diatomic nonmetal': '#7FFF00', 'lanthanide': '#FFB6C1', 'metalloid': '#8FBC8F', 'noble gas': '#00FFFF', 'polyatomic nonmetal': '#7FFFD4', 'post transition metal': '#D3D3D3', 'transition metal': '#FFA07A'}

Dictionary defining RGB colors for each subcategory.

bgcolor

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)