openpathsampling.collectivevariables.CoordinateFunctionCV

class openpathsampling.collectivevariables.CoordinateFunctionCV(name, f, cv_requires_lists=False, cv_wrap_numpy_array=False, cv_scalarize_numpy_singletons=False, **kwargs)[source]

Turn any function into a CollectiveVariable.

cv_callable
__init__(name, f, cv_requires_lists=False, cv_wrap_numpy_array=False, cv_scalarize_numpy_singletons=False, **kwargs)[source]
Parameters
  • name

  • f

  • cv_requires_lists

  • cv_wrap_numpy_array

  • cv_scalarize_numpy_singletons

  • **kwargs

See also

openpathsampling.collectivevariable.CallableCV

Methods

__init__(name, f[, cv_requires_lists, ...])

param name

args()

Return a list of args of the __init__ function of a class

base()

Return the most parent class actually derived from StorableObject

cache_all()

Sync this CV with attached storages

count_weaks()

Return number of objects subclassed from StorableObject still in memory

descendants()

Return a list of all subclassed objects

disable_diskcache()

enable_diskcache()

fix_name()

Set the objects name to be immutable.

from_dict(dct)

get_uuid()

idx(store)

Return the index which is used for the object in the given store.

named(name)

Name an unnamed object.

objects()

Returns a dictionary of all storable objects

reverse_uuid()

ruuid(uid)

set_cache_store(value_store)

Attach store variables to the collective variables.

set_observer(active)

(De-)Activate observing creation of storable objects

str_chain()

Return a string representation of the chain of dicts called.

sync()

Sync this CV with the attached storages

to_dict()

Convert object into a dictionary representation

with_diskcache([template, chunksize, ...])

Attributes

ACTIVE_LONG

CREATION_COUNT

INSTANCE_UUID

base_cls

Return the base class

base_cls_name

Return the name of the base class

cls

Return the class name as a string

default_name

Return the default name.

f

is_named

True if this object has a custom name.

name

Return the current name of the object.

observe_objects

passing_chain

Return a list of chaindicts in order they will be tried.