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