Package schrodinger :: Package application :: Package mopac :: Module mopac_launchers :: Class MopacLauncher

Class MopacLauncher

object --+
         |
        MopacLauncher

Known Subclasses:


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

Nested Classes

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__metaclass__
Metaclass for defining Abstract Base Classes (ABCs).

Instance Methods

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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

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__abstractmethods__ = frozenset(['default_method', 'extra_keyw...

_abc_cache = <_weakrefset.WeakSet object at 0x7f594e718c10>

_abc_negative_cache = <_weakrefset.WeakSet object at 0x7f594e7...

_abc_negative_cache_version = 25

_abc_registry = <_weakrefset.WeakSet object at 0x7f594e718bd0>

Properties

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default_method

valid_methods

method_synonyms

extra_keywords

results

Inherited from object: __class__

Method Details

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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

Class Variable Details

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abstractmethods

Value:

frozenset(['default_method',
           'extra_keywords',
           'init_plotting',
           'method_synonyms',
           'results',
           'run',
           'valid_methods'])

_abc_negative_cache

Value:

<_weakrefset.WeakSet object at 0x7f594e718c50>

Property Details

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default_method

Get Method:: unreachable.default_method(self)

valid_methods

Get Method:: unreachable.valid_methods(self)

method_synonyms

Get Method:: unreachable.method_synonyms(self)

extra_keywords

Get Method:: unreachable.extra_keywords(self)

results

Get Method:: unreachable.results(self)