BaseSimulationProtocols

class propertyestimator.protocols.utils.BaseSimulationProtocols(build_coordinates, assign_parameters, energy_minimisation, equilibration_simulation, production_simulation, analysis_protocol, converge_uncertainty, extract_uncorrelated_trajectory, extract_uncorrelated_statistics)
__init__()

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

Methods

__init__

Initialize self.

count(value)

index(value, [start, [stop]])

Raises ValueError if the value is not present.

Attributes

analysis_protocol

Alias for field number 5

assign_parameters

Alias for field number 1

build_coordinates

Alias for field number 0

converge_uncertainty

Alias for field number 6

energy_minimisation

Alias for field number 2

equilibration_simulation

Alias for field number 3

extract_uncorrelated_statistics

Alias for field number 8

extract_uncorrelated_trajectory

Alias for field number 7

production_simulation

Alias for field number 4

property analysis_protocol

Alias for field number 5

property assign_parameters

Alias for field number 1

property build_coordinates

Alias for field number 0

property converge_uncertainty

Alias for field number 6

count(value) → integer -- return number of occurrences of value
property energy_minimisation

Alias for field number 2

property equilibration_simulation

Alias for field number 3

property extract_uncorrelated_statistics

Alias for field number 8

property extract_uncorrelated_trajectory

Alias for field number 7

index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

property production_simulation

Alias for field number 4