Package schrodinger :: Package application :: Package phase :: Module input :: Class PhaseHypothesisInputConfig
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Class PhaseHypothesisInputConfig

   object --+                
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         dict --+            
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configobj.Section --+        
                    |        
  configobj.ConfigObj --+    
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  inputconfig.InputConfig --+
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                           PhaseHypothesisInputConfig

Settings/Validation InputConfig class for the Phase Hypothesis Driver.

The class acts as a container and validator for calling driver property setters through the (keyword, value) interface, or in the case of indexable attributes, the (keyword, index, value).

Instance Methods [hide private]
new empty dictionary

__init__(self, input_file=None)
Initializes the inputconfig settings with a dictionary of options and corresponding validators.
 
generateSpecs(self, append_comments=False)
Builds InputConfig spec list from yaml file stored in module directory.
namedtuple @return : cast of current (validated) settings as a namedtuple
asNamedTuple(self)
Returns the current settings as a validated namedtuple for driver use.
 
validateKeywords(self)
Validates that all set keywords are supported.
 
validateAll(self)
Validates all values and keywords, removing entries that are set to None

Inherited from inputconfig.InputConfig: getSpecsString, printout, validateValues, writeInputFile

Inherited from inputconfig.InputConfig (private): _quote

Inherited from configobj.ConfigObj: __repr__, reload, reset, validate, write

Inherited from configobj.ConfigObj (private): _a_to_u, _decode, _decode_element, _get_single_quote, _get_triple_quote, _handle_bom, _handle_comment, _handle_configspec, _handle_error, _handle_value, _initialise, _load, _match_depth, _multiline, _parse, _set_configspec, _str, _unquote, _write_line, _write_marker

Inherited from configobj.Section: __delitem__, __getitem__, __iter__, __reduce__, __setitem__, __setstate__, __str__, as_bool, as_float, as_int, as_list, clear, dict, get, items, iteritems, iterkeys, itervalues, keys, merge, pop, popitem, rename, restore_default, restore_defaults, setdefault, update, values, walk

Inherited from configobj.Section (private): _interpolate

Inherited from dict: __cmp__, __contains__, __eq__, __ge__, __getattribute__, __gt__, __le__, __len__, __lt__, __ne__, __new__, __sizeof__, copy, fromkeys, has_key, viewitems, viewkeys, viewvalues

Inherited from object: __delattr__, __format__, __reduce_ex__, __setattr__, __subclasshook__

Class Variables [hide private]

Inherited from configobj.ConfigObj (private): _bools, _keyword, _listvalueexp, _multi_line_double, _multi_line_single, _nolistvalue, _sectionmarker, _single_line_double, _single_line_single, _triple_quote, _valueexp

Inherited from dict: __hash__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, input_file=None)
(Constructor)

 

Initializes the inputconfig settings with a dictionary of options and corresponding validators.

Parameters:
  • specs_list (lst) - list of ConfigObj keyword validators
Returns:
new empty dictionary

Overrides: object.__init__

generateSpecs(self, append_comments=False)

 

Builds InputConfig spec list from yaml file stored in module directory. Optionally adds comments for keyword usage output.

Parameters:
  • append_comments (bool) - whether to append comments to spec strings

    @rtype : list of strings

Returns:
list of InputConfig spec strings

validateKeywords(self)

 

Validates that all set keywords are supported.

Raises:
  • ValueError - Error message if keyword is not supported

validateAll(self)

 

Validates all values and keywords, removing entries that are set to None

Raises:
  • ValueError - Error message if keyword is not supported