Materials-simulation-skills ontology-validator

install
source · Clone the upstream repo
git clone https://github.com/HeshamFS/materials-simulation-skills
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/HeshamFS/materials-simulation-skills "$T" && mkdir -p ~/.claude/skills && cp -r "$T/skills/ontology/ontology-validator" ~/.claude/skills/heshamfs-materials-simulation-skills-ontology-validator && rm -rf "$T"
manifest: skills/ontology/ontology-validator/SKILL.md
source content

Ontology Validator

Goal

Validate that material sample annotations comply with ontology constraints: correct class names, valid properties, consistent domain/range relationships, and required fields present.

Requirements

  • Python 3.8+
  • No external dependencies (Python standard library only)
  • Requires ontology-explorer's
    cmso_summary.json
    and
    ontology_registry.json

Inputs to Gather

InputDescriptionExample
AnnotationJSON dict or list of annotation dicts
{"class":"UnitCell","properties":{"has Bravais lattice":"cF"}}
Class nameClass to check completeness for
Crystal Structure
Provided propertiesComma-separated property names
"has unit cell,has space group"
RelationshipsJSON array of subject-property-object triples
[{"subject_class":"Material","property":"has structure","object_class":"Crystal Structure"}]

Decision Guidance

What do you need to validate?
├── An annotation (classes and properties are correct)
│   └── schema_checker.py --ontology cmso --annotation '<json>'
├── Completeness of a class annotation
│   └── completeness_checker.py --ontology cmso --class <name> --provided <props>
└── Object property relationships
    └── relationship_checker.py --ontology cmso --relationships '<json>'

Script Outputs (JSON Fields)

ScriptKey Outputs
scripts/schema_checker.py
results.valid
,
results.errors
,
results.warnings
,
results.class_valid
,
results.properties_valid
scripts/completeness_checker.py
results.completeness_score
,
results.required_missing
,
results.recommended_missing
,
results.optional_missing
,
results.unrecognized
scripts/relationship_checker.py
results.valid
,
results.results
,
results.errors

Workflow

  1. After mapping a sample with ontology-mapper, pass the annotations to
    schema_checker.py
    to verify correctness.
  2. For a specific class, use
    completeness_checker.py
    to see what required/recommended properties are missing.
  3. When building relationships between instances, use
    relationship_checker.py
    to ensure domain/range consistency.

Conversational Workflow Example

User: I annotated my sample as CrystalStructure with properties hasUnitCell and hasBasis.
      Is this correct and complete?

Agent: Let me validate your annotation and check completeness.

[Runs: completeness_checker.py --ontology cmso --class "Crystal Structure" --provided "has unit cell,has basis" --json]

Your annotation is partially complete:
- has unit cell: provided (required)
- has basis: not a direct property of Crystal Structure (it belongs to Unit Cell)
- **Missing required**: has space group

The "has basis" property belongs to the Unit Cell class, not Crystal Structure.
You should add "has space group" to Crystal Structure and move "has basis"
to the Unit Cell annotation.

CLI Examples

# Validate an annotation
python3 skills/ontology/ontology-validator/scripts/schema_checker.py \
  --ontology cmso \
  --annotation '{"class":"Unit Cell","properties":{"has Bravais lattice":"cF"}}' \
  --json

# Check completeness
python3 skills/ontology/ontology-validator/scripts/completeness_checker.py \
  --ontology cmso \
  --class "Crystal Structure" \
  --provided "has unit cell,has space group" \
  --json

# Validate relationships
python3 skills/ontology/ontology-validator/scripts/relationship_checker.py \
  --ontology cmso \
  --relationships '[{"subject_class":"Computational Sample","property":"has material","object_class":"Material"}]' \
  --json

Error Handling

ErrorCauseResolution
Class 'X' not found
Invalid class nameUse ontology-explorer to find correct name
Property 'X' not found
Invalid property nameUse property_lookup.py to search
Annotation must be a dict
Wrong input formatProvide valid JSON dict
Relationships must be a non-empty list
Wrong input formatProvide JSON array of relationship dicts

Interpretation Guidance

  • Errors indicate definite problems (unknown class/property, range mismatch)
  • Warnings indicate potential issues (domain mismatch — may be intentional for subclasses)
  • Completeness score: 0.0-1.0 ratio of provided vs. total tracked properties
  • required_missing: must fix for valid annotation
  • recommended_missing: should fix for quality
  • unrecognized: may indicate typos or properties from a different ontology

Security

Input Validation

  • --ontology
    is validated against registered ontology names in
    ontology_registry.json
    (fixed allowlist)
  • --annotation
    JSON is parsed with
    json.loads()
    and validated as a dict with required
    class
    and
    properties
    keys
  • --class
    names are validated against known classes in the ontology summary; unknown classes produce clear errors
  • --provided
    property names are validated as comma-separated strings and matched against known properties
  • --relationships
    JSON is parsed and validated as a non-empty list of dicts, each requiring
    subject_class
    ,
    property
    , and
    object_class
    keys

File Access

  • Scripts read pre-processed JSON files from the
    references/
    directory:
    ontology_registry.json
    ,
    cmso_summary.json
    ,
    cmso_constraints.json
    (all read-only)
  • No scripts write to the filesystem; all output goes to stdout
  • No network access is required

Tool Restrictions

  • Read: Used to inspect script source, reference files, and ontology constraint data
  • Bash: Used to execute the three Python validation scripts (
    schema_checker.py
    ,
    completeness_checker.py
    ,
    relationship_checker.py
    ) with explicit argument lists

Safety Measures

  • No
    eval()
    ,
    exec()
    , or dynamic code generation
  • All subprocess calls use explicit argument lists (no
    shell=True
    )
  • JSON input parsing uses
    json.loads()
    only (no pickle, no YAML with unsafe loaders)
  • Validation logic operates on pre-loaded in-memory data structures; no dynamic file discovery or traversal

Limitations

  • Constraints file is manually curated, not derived from OWL axioms
  • Does not validate data types (e.g., whether a value is actually a float vs string)
  • Does not validate cardinality (e.g., exactly one space group per structure)
  • Subclass checking uses simple parent traversal, not full OWL reasoning

References

Version History

DateVersionChanges
2026-02-251.0Initial release with CMSO validation support