Package schrodinger :: Package application :: Package desmond :: Module systype :: Class McproTyper

Class McproTyper

object --+    
         |    
 TyperBase --+
             |
            McproTyper

Nested Classes

[hide private]

Inherited from TyperBase: __metaclass__

Instance Methods

[hide private]

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

[hide private]

detect(struc, filename)

has_rule(rule)

check_rule(systype, rule)

check_system(struc, filename, rule)

get_trait(struc)

Inherited from TyperBase: prepare

Class Variables

[hide private]

NAME = "mcpro"

UNKNOWN = 0

RAW_REGULAR = 201

RAW_FEP = 202

STRING = {RAW_REGULAR: "a raw geometry for regular monte carlo...

RULE = {"raw_regular": [RAW_REGULAR,], "raw_fep": [RAW_FEP,], ...

Inherited from TyperBase: typer_cls

Properties

[hide private]

Inherited from object: __class__

Method Details

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Class Variable Details

[hide private]

STRING

Value:

{RAW_REGULAR: "a raw geometry for regular monte carlo simulations", RA
W_FEP: "raw geometries created for FEP calculations",}

RULE

Value:

{"raw_regular": [RAW_REGULAR,], "raw_fep": [RAW_FEP,], "raw": [RAW_FEP
, RAW_REGULAR,], "regular": [RAW_REGULAR,], "fep": [RAW_FEP,], "auto":
 [RAW_FEP, RAW_REGULAR,],}

Class McproTyper

detect(struc, filename) Static Method

has_rule(rule) Static Method

check_rule(systype, rule) Static Method

get_trait(struc) Static Method

STRING

RULE

detect(struc, filename)
Static Method

has_rule(rule)
Static Method

check_rule(systype, rule)
Static Method

get_trait(struc)
Static Method