openff-interchange documentation

openff-interchange

GROMACSAtomType

pydantic model openff.interchange.interop.gromacs.models.models.GROMACSAtomType

Bases: DefaultModel

Base class for GROMACS atom types.

Fields

• atomic_number (int)

• bonding_type (str)

• charge (pint.Quantity)

• mass (pint.Quantity)

• name (str)

• particle_type (str)

Validators

• validate_particle_type » particle_type

field name: str [Required]

field bonding_type: str = ''

field atomic_number: int [Required]

field mass: pint.Quantity [Required]

field charge: pint.Quantity [Required]

field particle_type: str [Required]

Validated by

• validate_particle_type

validator validate_particle_type  »  particle_type