schrodinger.application.matsci.atomicsymbolsgui module¶
GUI elements that help with atomic symbols
Copyright Schrodinger, LLC. All rights reserved.
- class schrodinger.application.matsci.atomicsymbolsgui.ElementValidator¶
Bases:
schrodinger.ui.qt.swidgets.EnforcingValidatorMixin
,PyQt6.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.
- validate(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.
- class schrodinger.application.matsci.atomicsymbolsgui.AtomNameLabelValidator(*args, **kwargs)¶
Bases:
schrodinger.ui.qt.swidgets.EnforcingValidatorMixin
,PyQt6.QtGui.QValidator
Manage validation of a atom name label.
- VALID_LABEL_PUNCTUATION = '_()[]'¶
- __init__(*args, **kwargs)¶
Overwrite parent to set the valid label characters dictionary on creation
- validate(value, position)¶
See PyQt documentation for arguments and return values.
- class schrodinger.application.matsci.atomicsymbolsgui.ElementListValidator(parent=None, is_empty_valid=False)¶
Bases:
schrodinger.ui.qt.swidgets.EnforcingValidatorMixin
,PyQt6.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.
- __init__(parent=None, is_empty_valid=False)¶
Create ElementListValidator object.
- Parameters
parent (QObject) – the object that owns the validator
is_empty_valid (bool) – If True, empty string is a valid value
- validate(text, pos)¶
Check if the text is a valid atomic symbols separated by comma.
See PyQt documentation for argument and return value documentation.
- class schrodinger.application.matsci.atomicsymbolsgui.ElementEdit(default, layout=None, **kwargs)¶
Bases:
schrodinger.ui.qt.swidgets.SLineEdit
A QLineEdit that only accepts atomic symbols and always contains the last valid value when it loses keyboard focus
- __init__(default, layout=None, **kwargs)¶
Create an ElementEdit instance
- Parameters
default (str) – Default atomic symbol
layout (QBoxLayout) – The layout to place this line edit into
- class schrodinger.application.matsci.atomicsymbolsgui.ElementListEdit(text, layout=None, is_empty_valid=False, **kwargs)¶
Bases:
schrodinger.ui.qt.swidgets.SLabeledEdit
A QLineEdit that only accepts atomic symbols and always contains the last valid value when it loses keyboard focus
- __init__(text, layout=None, is_empty_valid=False, **kwargs)¶
Create an ElementEdit instance
- Parameters
default (str) – Default atomic symbol
layout (QBoxLayout) – The layout to place this line edit into
is_empty_valid (bool) – If True, empty string is a valid value
- class schrodinger.application.matsci.atomicsymbolsgui.CoarseGrainNameEdit(default, layout=None, **kwargs)¶
Bases:
schrodinger.ui.qt.swidgets.SLineEdit
A QLineEdit that only accepts valid coarse grain names and always contains the last valid value when it loses keyboard focus
- __init__(default, layout=None, **kwargs)¶
Create an CoarseGrainNameEdit instance
- Parameters
default (str) – Default atomic symbol
layout (QBoxLayout) – The layout to place this line edit into