BaseReweightingProtocols¶
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class
openff.evaluator.protocols.utils.
BaseReweightingProtocols
(unpack_stored_data, analysis_protocol, decorrelate_statistics, decorrelate_trajectory, concatenate_trajectories, concatenate_statistics, build_reference_system, reduced_reference_potential, build_target_system, reduced_target_potential, mbar_protocol)¶ -
__init__
()¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
()Initialize self.
count
(value, /)Return number of occurrences of value.
index
(value[, start, stop])Return first index of value.
Attributes
Alias for field number 1
Alias for field number 6
Alias for field number 8
Alias for field number 5
Alias for field number 4
Alias for field number 2
Alias for field number 3
Alias for field number 10
Alias for field number 7
Alias for field number 9
Alias for field number 0
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analysis_protocol
¶ Alias for field number 1
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build_reference_system
¶ Alias for field number 6
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build_target_system
¶ Alias for field number 8
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concatenate_statistics
¶ Alias for field number 5
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concatenate_trajectories
¶ Alias for field number 4
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count
(value, /)¶ Return number of occurrences of value.
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decorrelate_statistics
¶ Alias for field number 2
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decorrelate_trajectory
¶ Alias for field number 3
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index
(value, start=0, stop=9223372036854775807, /)¶ Return first index of value.
Raises ValueError if the value is not present.
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mbar_protocol
¶ Alias for field number 10
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reduced_reference_potential
¶ Alias for field number 7
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reduced_target_potential
¶ Alias for field number 9
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unpack_stored_data
¶ Alias for field number 0
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