See initiator docstring.
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__init__(self,
master)
# Data from panel # miniEntry.get() Number of optimization
cycles (+ int) # miniMenu.get() Type of minimization
algorithm |
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mcSolvDep(self,
isolv)
Function to enable the solvent panel to set dependencies on the mc
panel (1) Remove NVT/NPT option (2) pack_forget() solvent-only
stage isolv = 0 All options viewed isolv = 2 Remove (1) isolv
= 3,4 Remove (1) and (2) isolv = 1 isn't valid for FEP |
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initEntry(self,
variable,
init)
Method to initialize entryfields at their default values |
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getSystemOpt(self)
Overloaded method to return current systemOpt value |
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setDefaults(self)
Method to set defaults |
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reset(self)
Method to reset GUI |
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settings(self)
method to return a dictionary of job settings by name used in
mcpro_driver.py |
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