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