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christopher2lllp3t-cell

materials-studio-mcp-moc

md_msi2lmp_preflight

Validate CAR/MDF files, forcefield class, and parameter file prior to msi2lmp conversion to catch issues early and ensure accurate simulation inputs.

Instructions

Validate the CAR/MDF pair, forcefield class, and explicit msi2lmp parameter file before conversion.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
car_pathYes
mdf_pathNo
forcefield_fileNo
forcefield_classNoI

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior2/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

No annotations are provided, so the description carries the full burden of disclosing behavior. It only says 'Validate' without explaining whether the tool is read-only, what side effects might occur, what happens on failure, or what the output looks like. The tool name 'preflight' implies a non-destructive check, but that is not explicitly stated.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is a single sentence, front-loaded with an action verb, and includes the essential scope without any filler. Every word contributes to understanding the tool's purpose.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness2/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

For a tool with 4 parameters and no annotations, the description is minimal. It does not mention prerequisites (e.g., having a CAR/MDF pair from a prior export), what constitutes a successful validation, or how failures are reported. While an output schema exists, the validation logic and conditions are left unspecified, making the description insufficient for complete agent understanding.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 0%, but the description maps key parameters to their roles: CAR/MDF pair (car_path, mdf_path), forcefield class (forcefield_class), and explicit parameter file (forcefield_file). It adds meaningful grouping and context, but does not explain formats, defaults, or validation criteria.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool's function with a specific verb ('Validate') and specific resources (CAR/MDF pair, forcefield class, explicit parameter file). It also situates the action 'before conversion,' which distinguishes it from sibling conversion tools like md_convert_to_lammps_checked.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines4/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The phrase 'before conversion' provides clear temporal context, implying this tool should be used as a preflight step prior to a conversion tool. However, it does not explicitly name alternatives or state when not to use it, such as if the user only needs a structure preflight (md_structure_preflight).

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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