pyviblib Class Library Reference

Package tree of pyviblib

Packages and modules

pyviblib

root package of the class library

• molecule – handling molecules

pyviblib.calc

calculation routines

• common – commonly used routines
• qtrfit – superimposing molecules using a quaternion fit
• spectra – handling VROA spectra
• vibrations – handling vibrational motion

gui

components of the graphical user interface of PyVib2

• dialogs – dialogs
• figures – figures implemented with Matplotlib
• images – images (Tkinter.Photoimage)
• main – main window of PyVib2
• rendering – 3D rendering implemented with VTK
• resources – program resources
• widgets – building “blocks” for the dialogs and windows
• windows – windows

io

input/output operations

• parsers – parsing files
• workspace – reading/writing PyVib2 workspace files
• writers – writing files

util

utility modules

• constants – physical constants and conversion factors
• exceptions – exceptions raised by pyviblib
• misc – miscellaneous
• pse – handling chemical elements