schrodinger.infra.mmcheck module

schrodinger.infra.mmcheck.wrap_module(module_dict, return_codes, ignored_functions, failure_dict, inserted_module_globals=None)

Create wrappers for all of the mmlibs and place them into the module’s global namespace.

Parameters:

• return_codes (dict) – Dict of ReturnCode objects, as generated by generate_return_codes
• ignored_functions (iterable of strings) – are functions that are created by swig which don’t match
• failure_dict (dict) – error code returned if the function encounters an error, when it is not covered by the normal return_codes dict

exception schrodinger.infra.mmcheck.MmException(wrapped_function, args, rc)

Bases: Exception

An exception class that specifically indicates the failure of an mmlibs call. The underlying value of the error code returned by the mmlib function can be retrieved through the ‘rc’ attribute of the exception. The name of the return code can be retrieved through the ‘rc_name’ attribute of the exception.

__init__(wrapped_function, args, rc)

Initialize with the wrapped function, arguments used, and the return code.

args

__str__()

Return str(self).

__cause__

exception cause

__class__

alias of builtins.type

__context__

exception context

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.infra.mmcheck', '__doc__': "\n\n An exception class that specifically indicates the failure of an\n mmlibs call. The underlying value of the error code returned by the\n mmlib function can be retrieved through the 'rc' attribute of the\n exception. The name of the return code can be retrieved through the\n 'rc_name' attribute of the exception.\n\n ", '__init__': <function MmException.__init__>, '__str__': <function MmException.__str__>, '__weakref__': <attribute '__weakref__' of 'MmException' objects>})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.infra.mmcheck'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__setstate__()

__sizeof__() → int

size of object in memory, in bytes

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__suppress_context__

__traceback__

__weakref__

list of weak references to the object (if defined)

with_traceback()

Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.

class schrodinger.infra.mmcheck.ReturnCode

Bases: object

A class to hold special return code values and translate return code values into names.

ok_pattern = re.compile('^[A-Z][A-Z0-9]*_OK$')

error_pattern = re.compile('^[A-Z][A-Z0-9]*_(ERR(OR)?|BUMMER)$')

__init__()

Initialize self. See help(type(self)) for accurate signature.

add_code(module, name, value=None)

Add a code name and value to the object. If value is not provided, look it up in the pymmlibs module from the name given.

get_name(value)

Return the name associated with the value.

__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.infra.mmcheck', '__doc__': '\n A class to hold special return code values and translate return code\n values into names.\n\n ', 'ok_pattern': re.compile('^[A-Z][A-Z0-9]*_OK$'), 'error_pattern': re.compile('^[A-Z][A-Z0-9]*_(ERR(OR)?|BUMMER)$'), '__init__': <function ReturnCode.__init__>, 'add_code': <function ReturnCode.add_code>, 'get_name': <function ReturnCode.get_name>, '__dict__': <attribute '__dict__' of 'ReturnCode' objects>, '__weakref__': <attribute '__weakref__' of 'ReturnCode' objects>})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.infra.mmcheck'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)

schrodinger.infra.mmcheck.generate_return_code_dict(global_dict, code_lists)

Set up a dictionary of ReturnCode objects, indexed by the mmlib prefix names. This dictionary is used to translate error codes into names so errors make more sense to the humans reading the error message.

Parameters:

• global_dict – globals() dict of the module with these return codes
• code_lists (list) –

  Each member of the code_lists list is a list of the names of the return codes for a specific mmlib. Please keep the list sorted by mmlib prefix so it is easy to find the proper place to add new return codes.

  The return codes are listed explicitly to speed the import of this module.