Package csb :: Package statistics :: Package samplers :: Package mc :: Module neqsteppropagator :: Class NonequilibriumTrajectory |
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# Class NonequilibriumTrajectory

source code

                  object --+
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        core.AbstractIndexer --+
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    core.BaseCollectionContainer --+
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            core.CollectionContainer --+
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                          object --+   |
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           AbstractPropagationResult --+
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                              Trajectory --+
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                                          NonequilibriumTrajectory

Trajectory holding additional information about energy difference the Jacobian.

Nested Classes
Inherited from `AbstractPropagationResult`: `__metaclass__`

Instance Methods
__init__(self, items, heat=0.0, work=0.0, deltaH=0.0, jacobian=1.0, stats=None) x.__init__(...) initializes x; see help(type(x)) for signature | source code
Inherited from `core.CollectionContainer`: `append` Inherited from `core.BaseCollectionContainer`: `__bool__`, `__contains__`, `__getitem__`, `__iter__`, `__len__`, `__nonzero__`, `__repr__` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Class Variables
Inherited from `Trajectory`: `__abstractmethods__`

Properties
| deltaH
| jacobian
| stats
Inherited from `Trajectory`: `final`, `heat`, `initial`, `work` Inherited from `core.BaseCollectionContainer`: `last_index`, `length`, `start_index` Inherited from `object`: `__class__`

Method Details

### __init__(self, items, heat=0.0, work=0.0, deltaH=0.0, jacobian=1.0, stats=None) (Constructor) | source code
x.__init__(...) initializes x; see help(type(x)) for signature Parameters: `items` (list of States) - sequence of trajectory states `heat` (float) - heat produced during the trajectory `work` (float) - work expended during the trajectory `deltaH` (float) - energy difference between initial and final states `jacobian` (float) - product of Jacobians of perturbations applied in the calculation of the trajectory Overrides: object.__init__ (inherited documentation)

Property Details

### deltaH Get Method: unreachable.deltaH(self) Set Method: unreachable.deltaH(self, value)

### jacobian Get Method: unreachable.jacobian(self) Set Method: unreachable.jacobian(self, value)

### stats Get Method: unreachable.stats(self) Set Method: unreachable.stats(self, value)