narupatools.frame.fields¶

Standard fields and their getters/setters for Narupa frames.

Module Attributes

`ParticlePositions`
`ParticleVelocities`
`ParticleForces`
`ParticleElements`
`ParticleResidues`
`ParticleNames`
`ParticleTypes`
`ParticleMasses`
`ParticleCharges`
`ParticleCount`
`PotentialEnergy`
`KineticEnergy`
`SimulationElapsedTime`
`SimulationTotalTime`
`SimulationElapsedSteps`
`SimulationTotalSteps`
`BondPairs`
`BondOrders`
`BondTypes`
`BondCount`
`ResidueNames`
`ResidueIds`
`ResidueChains`
`ResidueCount`
`ChainNames`
`ChainCount`
`BoxVectors`
`DYNAMIC_FIELDS`	Set of fields that are by default considered to change when a simulation is run.

Functions

Get the defined FrameKey for a given string key.

narupatools.frame.fields.get_frame_key(key: str) → narupatools.frame.fields.FrameKey ¶

Get the defined FrameKey for a given string key.

Classes

Key that can be placed in a Narupa FrameData, such as positions or potential energy.

narupatools