Class Mopac2012TextParser
object --+
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Mopac2012TextParser
Parser for the MOPAC2012 .out and .aux files. Using decorators, the
callback() function below populates the "callbacks" dictionary
in this class with key-value pairs of the form (regex,func) where
"regex" is a regular expression to catch patterns in the output
file, and "func" is the callback function which is triggered
when the regex is matched.
In this way, each specific callback is triggered by a given pattern
such as 'HOMO LUMO ENERGIES \(EV\) =', and the callback function
processes the matched lines.
Note that multiple regex's can be associated with a given callback
function by associating it with two or more decorators. In this way, the
same callback can be triggered multiple times. e.g. for both the .aux and
.out files, perhaps for consistency checking etc.
Typically, however, only one regex is associated with each callback so
that data for a given property is grepped from either the .out file OR
the .aux file, but not both.
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__init__(self,
filename)
x.__init__(...) initializes x; see help(type(x)) for signature |
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parse_file(self,
properties)
Loop over self.file_iter and trigger the callbacks. |
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Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__new__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
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callbacks = OrderedDict()
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Inherited from object :
__class__
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__init__(self,
filename)
(Constructor)
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x.__init__(...) initializes x; see help(type(x)) for signature
- Overrides:
object.__init__
- (inherited documentation)
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