Source code for schrodinger.ui.qt.forcefield.ffsettingsbutton

from schrodinger.Qt.QtGui import QIcon
from schrodinger.Qt.QtWidgets import QToolButton
from schrodinger.ui.maestro_ui import MaestroHub
from schrodinger.ui.qt.standard.icons import icons

from .ffprojectsettingsdlg import show_ff_project_settings_dlg
from .forcefield import PROJECT_OPLS_DIR_CMD_OPTION
from .forcefield import get_custom_opls_dir
from .forcefield import has_valid_custom_OPLS_preference

maestro_hub = MaestroHub.instance()


class FFSettingsButton(QToolButton):
    """
    Standard button for accessing the Force Field Settings Dialog.
    """

    _CUSTOMIZE_TOOLTIP = (
        'Change custom parameters location or add parameters via Customize... '
        'button')
    _CUSTOMIZATION_REQUIRED_TOOLTIP = (
        'The specified customizations are either unavailable or '
        'incompatible with the OPLS4 force field. New custom '
        'parameters are needed to accurately model your structures.'
        '<br><br>'
        'This job may run without customizations, but we do not '
        'recommend it. Click this button to choose a different set of '
        'customizations (if available), or to create them using the '
        'Force Field Builder, accessible via the Customize button.')

    def __init__(self, parent=None):
        super().__init__(parent=parent)
        self.clicked.connect(
            lambda: show_ff_project_settings_dlg(parent or self))
        maestro_hub.projectPreferenceChanged.connect(self._onPreferenceChanged)
        self._use_custom_opls = False
        self._update()

    def getUseCustomOPLS(self) -> bool:
        return self._use_custom_opls

    def setUseCustomOPLS(self, use_custom: bool):
        if self._use_custom_opls != use_custom:
            self._use_custom_opls = use_custom
            self._update()

    def _onPreferenceChanged(self, pref_name):
        if PROJECT_OPLS_DIR_CMD_OPTION in pref_name:
            self._update()

    def _update(self):
        btn_tooltip = ''
        btn_icon = icons.MORE_OPTIONS_LB

        if self.getUseCustomOPLS():
            if has_valid_custom_OPLS_preference():
                btn_tooltip = self._CUSTOMIZE_TOOLTIP
            else:
                btn_tooltip = self._CUSTOMIZATION_REQUIRED_TOOLTIP
                btn_icon = icons.VALIDATION_WARNING_LB
            btn_tooltip += f'<br><br>Using: <i>{get_custom_opls_dir()}</i>'

        self.setToolTip(btn_tooltip)
        self.setIcon(QIcon(btn_icon))