prolint.config.units

Unit conversion and simulation parameters.

This module provides unit conversion factors and simulation parameter containers for ProLint calculations.

Attributes

Classes

UnitConversionFactor

Conversion factors from time units to seconds.

SimulationParams

Simulation parameters for contact calculations.

Module Contents

class prolint.config.units.UnitConversionFactor(*args, **kwds)[source]

Bases: enum.Enum

Conversion factors from time units to seconds.

Each member’s value represents the unit in seconds.

fs[source]

Femtoseconds (1e-15 s).

Type:

float

ps[source]

Picoseconds (1e-12 s).

Type:

float

ns[source]

Nanoseconds (1e-9 s).

Type:

float

us[source]

Microseconds (1e-6 s).

Type:

float

ms[source]

Milliseconds (1e-3 s).

Type:

float

s[source]

Seconds (1.0 s).

Type:

float

fs = 1e-15[source]
ps = 1e-12[source]
ns = 1e-09[source]
us = 1e-06[source]
ms = 0.001[source]
s = 1.0[source]
class prolint.config.units.SimulationParams[source]

Simulation parameters for contact calculations.

units[source]

Time units for output (default: “us”).

Type:

str

normalizer[source]

Normalization method (default: “actual_time”).

Type:

str

unit_conversion_factor[source]

Factor to convert trajectory time to output units.

Type:

float

norm_factor[source]

Normalization factor for contact durations.

Type:

float

units: str = 'us'[source]
normalizer: str = 'actual_time'[source]
unit_conversion_factor: float = 1e-06[source]
norm_factor: float = 1.0[source]
prolint.config.units.DEFAULT_SIM_PARAMS[source]