`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)[source]¶

Bases: PyQt5.QtWidgets.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()[source]¶

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

Returns: Selected items
Return type: List[PeriodicTableItem]

setSelection(symbols)[source]¶

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)[source]¶

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)[source]¶

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)[source]¶

Bases: PyQt5.QtWidgets.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()[source]¶

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

Returns: Selected elements
Return type: List[PeriodicTableItem]

setSelectedElements(symbolList)[source]¶

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

class PeriodicCombo(parent=None, detailed=True, elements=None)[source]¶

Bases: PyQt5.QtWidgets.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()[source]¶

Get selected element

Returns: Selected element
Return type: PeriodicTableItem

setSelection(symbol)[source]¶

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='')[source]¶

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)[source]¶

Bases: silx.gui.widgets.PeriodicTable.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)

`PeriodicTable`: Atomic elements widgets¶

Classes¶

Example of usage¶

Widgets¶

Data model¶

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PeriodicTable: Atomic elements widgets¶

Classes¶

Example of usage¶

Widgets¶

Data model¶

`PeriodicTable`: Atomic elements widgets¶