Class: SimulationSettings¶

Settings in simulation.

URI: https://CCPBioSim.ac.uk/biosim-schema/SimulationSettings

         classDiagram
    class SimulationSettings
    click SimulationSettings href "../../classes/SimulationSettings/"
      SimulationSettings : barostat
        
          
    
        
        
        SimulationSettings --> "0..1" Barostat : barostat
        click Barostat href "../../classes/Barostat/"
    

        
      SimulationSettings : ensemble
        
          
    
        
        
        SimulationSettings --> "0..1" Ensemble : ensemble
        click Ensemble href "../../classes/Ensemble/"
    

        
      SimulationSettings : integrator
        
          
    
        
        
        SimulationSettings --> "0..1" Integrator : integrator
        click Integrator href "../../classes/Integrator/"
    

        
      SimulationSettings : interactions
        
          
    
        
        
        SimulationSettings --> "0..1" Interactions : interactions
        click Interactions href "../../classes/Interactions/"
    

        
      SimulationSettings : thermostat
        
          
    
        
        
        SimulationSettings --> "0..1" Thermostat : thermostat
        click Thermostat href "../../classes/Thermostat/"

Slots¶

Name	Cardinality and Range	Description	Inheritance
ensemble	0..1 Ensemble	Ensemble information	direct
integrator	0..1 Integrator	Integrator information	direct
barostat	0..1 Barostat	Barostat information	direct
thermostat	0..1 Thermostat	thermostat information	direct
interactions	0..1 Interactions	Interaction information	direct

Usages¶

used by	used in	type	used
SimulationMetadata	settings	range	SimulationSettings

Identifier and Mapping Information¶

Schema Source¶

from schema: https://CCPBioSim.ac.uk/biosim-schema/

Mappings¶

Mapping Type	Mapped Value
self	https://CCPBioSim.ac.uk/biosim-schema/SimulationSettings
native	https://CCPBioSim.ac.uk/biosim-schema/SimulationSettings

LinkML Source¶

Direct¶

name: SimulationSettings
description: Settings in simulation.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
slots:
- ensemble
- integrator
- barostat
- thermostat
- interactions

Induced¶

name: SimulationSettings
description: Settings in simulation.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
attributes:
  ensemble:
    name: ensemble
    description: Ensemble information.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: SimulationSettings
    domain_of:
    - SimulationSettings
    range: Ensemble
  integrator:
    name: integrator
    description: Integrator information.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: SimulationSettings
    domain_of:
    - SimulationSettings
    range: Integrator
  barostat:
    name: barostat
    description: Barostat information.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: SimulationSettings
    domain_of:
    - SimulationSettings
    range: Barostat
  thermostat:
    name: thermostat
    description: thermostat information.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: SimulationSettings
    domain_of:
    - SimulationSettings
    range: Thermostat
  interactions:
    name: interactions
    description: Interaction information.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: SimulationSettings
    domain_of:
    - SimulationSettings
    range: Interactions