Source code for schrodinger.application.matsci.atomicsymbolsgui

"""
GUI elements that help with atomic symbols

Copyright Schrodinger, LLC. All rights reserved.
"""

from schrodinger.application.matsci import atomicsymbols
from schrodinger.Qt import QtGui
from schrodinger.ui.qt import swidgets


class ElementValidator(swidgets.EnforcingValidatorMixin, QtGui.QValidator):
    """
    A QValidator to check if the input is a partial or valid atomic symbol.
    Partial symbols are 1- or 2-(Uu) letter strings that could begin a valid
    atomic symbol.
    """

    def validate(self, text, pos):
        """
        Check if the text is a partial or valid atomic symbol. Partial symbols
        are strings that could begin a valid atomic symbol.

        See PyQt documentation for argument and return value documentation.
        """

        check = str(text)
        if check in atomicsymbols.ATOMIC_SYMBOLS:
            self.last_valid_value = check
            return (self.Acceptable, text, pos)
        elif check in atomicsymbols.SYMBOL_START or not check:
            return (self.Intermediate, text, pos)
        else:
            return (self.Invalid, text, pos)


class ElementListValidator(swidgets.EnforcingValidatorMixin, QtGui.QValidator):
    """
    A QValidator to check if the inputs from a lineedit is a valid atomic symbols
    separated by comma. Empty lines are treated as intermediate state. All symbols
    are invalid. If input is not in atomicsymbol.ATOMIC_SYMBOLS then consider it
    intermediate state. All other states are consider valid state.
    """

    def validate(self, text, pos):
        """
        Check if the text is a valid atomic symbols separated by comma.

        See PyQt documentation for argument and return value documentation.
        """
        check = str(text)
        for token in check.split(','):
            if token.strip() == '':
                # An empty edit is temporarily acceptable
                return (self.Intermediate, text, pos)
            if not token.strip().isalpha():
                # Non-letters data is not OK
                return (self.Invalid, text, pos)
            if token.strip() not in atomicsymbols.ATOMIC_SYMBOLS:
                # Only letters, intermediate state
                return (self.Intermediate, text, pos)

        self.last_valid_value = check
        return (self.Acceptable, text, pos)


class ElementEdit(swidgets.SLineEdit):
    """
    A QLineEdit that only accepts atomic symbols and always contains the last
    valid value when it loses keyboard focus
    """

    def __init__(self, default, layout=None, **kwargs):
        """
        Create an ElementEdit instance

        :type default: str
        :param default: Default atomic symbol

        :type layout: QBoxLayout
        :param layout: The layout to place this line edit into
        """

        dator = ElementValidator()
        swidgets.SLineEdit.__init__(
            self,
            default,
            validator=dator,
            width=30,
            always_valid=True,
            layout=layout,
            **kwargs)


class ElementListEdit(swidgets.SLabeledEdit):
    """
    A QLineEdit that only accepts atomic symbols and always contains the last
    valid value when it loses keyboard focus
    """

    def __init__(self, text, layout=None, **kwargs):
        """
        Create an ElementEdit instance

        :type default: str
        :param default: Default atomic symbol

        :type layout: QBoxLayout
        :param layout: The layout to place this line edit into
        """

        dator = ElementListValidator()
        super(ElementListEdit, self).__init__(
            text=text, validator=dator, layout=layout, **kwargs)