cobramm.ontology.yml

---
version: "1.0.0"
namespace: "COBRAMM"
author: Matteo Bonfanti, Giorgio La Civita, Marco Garavelli

ontology:

  ################ RELATIONSHIPS

  HAS_PART:
    subclass_of:
    - CUBA.ACTIVE_RELATIONSHIP
    inverse: COBRAMM.IS_PART_OF
    default_rel: true

  IS_PART_OF:
    subclass_of:
    - CUBA.PASSIVE_RELATIONSHIP
    inverse: COBRAMM.HAS_PART

  HAS_PROPERTY:
    subclass_of:
    - CUBA.ACTIVE_RELATIONSHIP
    inverse: COBRAMM.IS_PROPERTY_OF
    default_rel: false
    
  IS_PROPERTY_OF:
    subclass_of:
    - CUBA.PASSIVE_RELATIONSHIP
    inverse: COBRAMM.HAS_PROPERTY

  ############## ENTITIES

  WRAPPER:
    subclass_of:
    - CUBA.WRAPPER
    - COBRAMM.HAS_PART:
        range: COBRAMM.SYSTEM
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.ACCURACY
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.CASE
        exclusive: false
        cardinality: 1

  CASE:
    subclass_of:
      - CUBA.ENTITY
    attributes:
      COBRAMM.CASE_NAME:

  ACCURACY:
    subclass_of:
      - CUBA.ENTITY
    attributes:
      COBRAMM.ACCURACY_VALUE:

  SYSTEM:
    subclass_of:
    - CUBA.ENTITY
    - COBRAMM.HAS_PART:
        range: COBRAMM.COBRAMM_STATE
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.MATERIAL
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.SOLVENT
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.TEMPERATURE
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.PRESSURE
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.SPECTRUM
        exclusive: false
        cardinality: some
    - COBRAMM.HAS_PART:
        range: COBRAMM.ENERGY
        exclusive: false
        cardinality: some

  MATERIAL:
    subclass_of:
    - COBRAMM.SYSTEM
    - COBRAMM.HAS_PART:
        range: COBRAMM.ATOM
        exclusive: false
        cardinality: some
    - COBRAMM.HAS_PART:
        range: COBRAMM.POINT_CHARGE
        exclusive: false
        cardinality: some
    - COBRAMM.HAS_PART:
        range: COBRAMM.CHARGE
        exclusive: false
        cardinality: 1

  SOLVENT:
    subclass_of:
    - COBRAMM.SYSTEM
    - COBRAMM.HAS_PART:
        range: COBRAMM.MOLECULE
        exclusive: false
        cardinality: 1

  SPECTRUM:
    subclass_of:
    - COBRAMM.SYSTEM
    - COBRAMM.HAS_PART:
        range: COBRAMM.BIN
        exclusive: false
        cardinality: some
    - COBRAMM.HAS_PART:
        range: COBRAMM.TIME
        exclusive: false
        cardinality: 1

  BIN:
    subclass_of:
    - COBRAMM.SPECTRUM
    - COBRAMM.HAS_PART:
        range: COBRAMM.INTENSITY
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.WAVELENGTH
        exclusive: false
        cardinality: 1

  ATOM:
    subclass_of:
    - COBRAMM.MATERIAL
    - COBRAMM.HAS_PART:
        range: COBRAMM.POSITION
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.ELEMENT_ID
        exclusive: false
        cardinality: 1

  POINT_CHARGE:
    subclass_of:
    - COBRAMM.MATERIAL
    - COBRAMM.HAS_PART:
        range: COBRAMM.POSITION
        exclusive: false
        cardinality: 1
    - COBRAMM.HAS_PART:
        range: COBRAMM.FLOAT_CHARGE
        exclusive: false
        cardinality: 1

  COBRAMM_STATE:
    subclass_of:
    - COBRAMM.SYSTEM
    attributes:
      COBRAMM.PATH:

  MOLECULE:
    subclass_of:
      - COBRAMM.SOLVENT
    attributes:
      COBRAMM.COMMERCIAL_NAME:

  CHARGE:
    subclass_of:
      - COBRAMM.MATERIAL
    attributes:
      COBRAMM.INTEGER_VALUE:

  FLOAT_CHARGE:
    subclass_of:
      - COBRAMM.MATERIAL
    attributes:
      COBRAMM.SCALAR_VALUE:

  ELEMENT_ID:
    subclass_of:
      - COBRAMM.ATOM
    attributes:
      COBRAMM.ATOM_SYMBOL:

  ############## QUANTITIES

  PHYSICAL_VECTOR_QUANTITY:
    subclass_of:
    - CUBA.ENTITY
    attributes:
      COBRAMM.VECTOR_VALUE:
      COBRAMM.UNIT:

  PHYSICAL_SCALAR_QUANTITY:
    subclass_of:
    - CUBA.ENTITY
    attributes:
      COBRAMM.SCALAR_VALUE:
      COBRAMM.UNIT:

  POSITION:
    subclass_of:
    - COBRAMM.PHYSICAL_VECTOR_QUANTITY

  TIME:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  TEMPERATURE:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  PRESSURE:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  INTENSITY:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  WAVELENGTH:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  ENERGY:
    subclass_of:
    - COBRAMM.PHYSICAL_SCALAR_QUANTITY

  ############## ATTRIBUTES

  VECTOR_VALUE:
    subclass_of:
    - CUBA.ATTRIBUTE
    datatype: VECTOR:3

  SCALAR_VALUE:
    subclass_of:
    - CUBA.ATTRIBUTE
    datatype: FLOAT

  INTEGER_VALUE:
    subclass_of:
    - CUBA.ATTRIBUTE
    datatype: INT

  STRING_VALUE:
    subclass_of:
    - CUBA.ATTRIBUTE
    datatype: STRING

  PATH:
    subclass_of:
    - COBRAMM.STRING_VALUE
    datatype: STRING

  UNIT:
    subclass_of:
    - COBRAMM.STRING_VALUE
    datatype: STRING

  ATOM_SYMBOL:
    subclass_of:
    - COBRAMM.STRING_VALUE
    datatype: STRING

  COMMERCIAL_NAME:
    subclass_of:
    - COBRAMM.STRING_VALUE
    datatype: STRING

  ACCURACY_VALUE:
    subclass_of:
    - COBRAMM.INTEGER_VALUE
    datatype: INT

  CASE_NAME:
    subclass_of:
    - COBRAMM.STRING_VALUE
    datatype: STRING