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

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