schrodinger.application.jaguar.reactiq_keywords module¶

This module documents all possible Reactiq input keywords.

class schrodinger.application.jaguar.reactiq_keywords.Choices(*choices)¶

Bases: object

__init__(*choices)¶: Initialize self. See help(type(self)) for accurate signature.

__class__¶: alias of builtins.type

__delattr__¶: Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.jaguar.reactiq_keywords', '__init__': <function Choices.__init__>, '__dict__': <attribute '__dict__' of 'Choices' objects>, '__weakref__': <attribute '__weakref__' of 'Choices' objects>, '__doc__': None})¶

__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.application.jaguar.reactiq_keywords'¶

__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)

class schrodinger.application.jaguar.reactiq_keywords.ReactiqKeyword(name, valid_type, default, description)¶

Bases: object

__init__(name, valid_type, default, description)¶

Parameters:	name (string) – unique name for keyword valid_type (python type) – keyword type e.g. bool, int default (<valid_type>) – default keyword value description (string) – short description of what the keyword does

name¶

valid_type¶

default¶

description¶

value¶: Return user-set value. If None, return default value.

setValue(value)¶

Set to user-defined value.

reset()¶: Reset user-value to NoneType.

isNonDefault()¶

Return True if keyword user-value differs from default value. False otherwise.

Return type:	bool

validate()¶: Raise MultipleInvalid or ReactiqKeywordException if keyword name/value don’t conform to the schema. (i.e. type check)

__class__¶: alias of builtins.type

__delattr__¶: Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.jaguar.reactiq_keywords', '__init__': <function ReactiqKeyword.__init__>, 'name': <property object>, 'valid_type': <property object>, 'default': <property object>, 'description': <property object>, 'value': <property object>, 'setValue': <function ReactiqKeyword.setValue>, 'reset': <function ReactiqKeyword.reset>, 'isNonDefault': <function ReactiqKeyword.isNonDefault>, 'validate': <function ReactiqKeyword.validate>, '__dict__': <attribute '__dict__' of 'ReactiqKeyword' objects>, '__weakref__': <attribute '__weakref__' of 'ReactiqKeyword' objects>, '__doc__': None})¶

__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).