BFEE2.gui

class BFEE2.gui.alchemicalAdvancedSettings[source]

Bases: PySide2.QtWidgets.QWidget

advanced settings for the alchemical route set the number of stratification windows

staticMetaObject = <PySide2.QtCore.QMetaObject object>
class BFEE2.gui.geometricAdvancedSettings[source]

Bases: PySide2.QtWidgets.QWidget

advanced settings for the geometric route set pulling direction, non-standard solvent and number of stratification windows

staticMetaObject = <PySide2.QtCore.QMetaObject object>
class BFEE2.gui.mainSettings[source]

Bases: PySide2.QtWidgets.QWidget

settings in the menubar set pathes of third-party softwares (VMD, gmx and tleap)

staticMetaObject = <PySide2.QtCore.QMetaObject object>
class BFEE2.gui.mainUI[source]

Bases: PySide2.QtWidgets.QMainWindow

the main window UI include the preTreatment, postTreatment and QuickPlot tab the preTreatment tab include NAMD and Gromacs tab the postTreatment tab include geometric and alchemical tab

staticMetaObject = <PySide2.QtCore.QMetaObject object>