Package schrodinger :: Package application :: Package desmond :: Module systype :: Class DesmondTyper
[hide private]
[frames] | no frames]

Class DesmondTyper

object --+    
         |    
 TyperBase --+
             |
            DesmondTyper

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 = 'desmond'
  UNKNOWN = 0
  MATURE_REGULAR = 101
  MATURE_FEP = 102
  MATURE_AFEP = 103
  RAW_REGULAR = 201
  RAW_FEP = 202
  RAW_AFEP = 203
  STRING = {101: 'a mature model system created for regular mole...
  RULE = {'afep': [103, 203], 'auto': [101, 102, 103, 201, 202, ...

Inherited from TyperBase: typer_cls

Properties [hide private]

Inherited from object: __class__

Class Variable Details [hide private]

STRING

Value:
{101: 'a mature model system created for regular molecular dynamics si\
mulations',
 102: 'a mature model system created for FEP calculations',
 103: 'a mature model system created for absolute FEP calculations',
 201: 'a raw geometry for regular molecular dynamics simulations',
 202: 'raw geometries created for FEP calculations',
 203: 'raw geometries created for absolute FEP calculations'}

RULE

Value:
{'afep': [103, 203],
 'auto': [101, 102, 103, 201, 202, 203],
 'fep': [102, 103, 202, 203],
 'mature': [101, 102, 103],
 'mature_afep': [103],
 'mature_fep': [102, 103],
 'mature_regular': [101, 103],
 'raw': [201, 202, 203],
...