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christopher2lllp3t-cell

materials-studio-mcp-moc

ms_geology_apply_hydroxylation_ledger

Protonates chosen singly Si-coordinated O sites on a 2D p1 surface via an explicit site ledger, applying configurable OH bond-length and nonbonded-distance constraints.

Instructions

Protonate an explicit ledger of singly Si-coordinated O sites in a 2D p1 surface.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
sitesYes
dry_runNo
max_atomsYes
output_slotYes
input_sha256Yes
idempotency_keyYes
timeout_secondsNo
project_directoryYes
confirmation_tokenNo
input_surface_structureYes
max_oh_bond_length_angstromYes
min_oh_bond_length_angstromYes
required_final_formal_charge_eNo
min_nonbonded_distance_angstromYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior2/5

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

With no annotations provided, the description must carry the full burden of behavioral disclosure. It states only that the tool protonates sites, but does not disclose that this is a mutation operation, whether a dry_run or confirmation_token is involved (despite their presence in the schema), or any side effects on the structure or ledger. The description lacks detail on safety, reversibility, or required permissions.

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 concise sentence of 11 words, front-loading the key action and target. There is no filler, repetition, or redundant information. Every word contributes to the core meaning, making it highly efficient.

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?

Given the tool's complexity (14 parameters, 10 required, no annotations, no schema descriptions), the description is far too sparse. It provides the basic operation but omits critical context like the nature of the ledger, how sites are identified, what constraints apply (bond lengths, distances, max atoms), and what state changes occur. Even with an output schema, this is insufficient for an agent to understand the tool's full requirements and behavior.

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

Parameters1/5

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

The schema has 14 parameters with 0% description coverage, and the description provides no parameter-level meaning. The only parameter hinted at is 'sites' via 'explicit ledger', but the description does not explain the structure of the ledger or the meaning of the bond length, distance, charge, or idempotency parameters. With such low schema coverage, the description needed to compensate but did not.

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 uses a specific verb 'protonate' and names a precise resource: 'an explicit ledger of singly Si-coordinated O sites in a 2D p1 surface.' This clearly distinguishes it from sibling geology tools like ms_geology_apply_substitutions or ms_geology_place_counterions, which perform different modifications.

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

Usage Guidelines2/5

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

No guidance is given on when to use this tool versus alternatives. It does not mention the distinction between this, substitutions, or counterion placement, nor does it specify preconditions such as the need for a prior structure with identified sites. The description simply states the action with no contextual 'when to use' or 'if you need X, use Y' guidance.

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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