Package schrodinger :: Package application :: Package mopac :: Module mopac_launchers :: Class MopacLauncher
[hide private]
[frames] | no frames]

Class MopacLauncher

object --+
         |
        MopacLauncher


This abstract base class (ABC) is designed to guide developers writing
code to support future MOPAC releases.
It shouldn't be instantiated.

The intention is that a new release will require a new MopacLauncher
subclass and this ABC documents the required interface to be automatically
compliant with the legacy code.

There are currently two subclasses:
    (1) MopacLauncher71
    (2) MopacLauncher2012

Instance Methods [hide private]
 
default_method(self)
 
valid_methods(self)
 
method_synonyms(self)
 
extra_keywords(self)
 
results(self)
MopacResults object
run(self, inputfile, structure=None)
Run a MOPAC calculation in the local directory.
 
init_plotting(self, opts)
Process cmdline arguments that request data plotting.

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

Class Variables [hide private]
  __metaclass__ = abc.ABCMeta
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

default_method(self)

 
Decorators:
  • @abc.abstractproperty

valid_methods(self)

 
Decorators:
  • @abc.abstractproperty

method_synonyms(self)

 
Decorators:
  • @abc.abstractproperty

extra_keywords(self)

 
Decorators:
  • @abc.abstractproperty

results(self)

 
Decorators:
  • @abc.abstractproperty

run(self, inputfile, structure=None)

 

Run a MOPAC calculation in the local directory. The optional Structure object is updated with the output data.

Parameters:
  • inputfile (str) - name of MOPAC .mop input file
Returns: MopacResults object
Decorators:
  • @abc.abstractmethod

init_plotting(self, opts)

 

Process cmdline arguments that request data plotting.

Parameters:
  • opts - CmdlineParser parsed options object
Decorators:
  • @abc.abstractmethod