Source code for schrodinger.application.jaguar.csrch_input_constants

"""
Constants for csrch.py related to user input.
We store them here in mmshare so they are accessible to the GUI code.
"""

from enum import Enum


[docs]class ACC_LEVEL(Enum): """ Accuracy level settings for Jaguar conf search methods """ HIGH = 'high' QUICK = 'quick' STD = 'std' default = STD
[docs]class SOLVENT(Enum): """ Solvent codes for available Macromodel solvents """ WATER = 'water' CHCL3 = 'chcl3' OCTANOL = 'octanol' default = WATER
[docs]class CS_METHOD(Enum): """ Conformational search methodology """ MIXED = 'mixed' LOWMODE = 'lowmode' MCMM = 'mcmm' CONFGEN = 'confgen' default = MIXED