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tschoonj

xraylib MCP Server

by tschoonj

CompoundParser

Parse a chemical compound formula to return its elemental composition. Supports complex formulas like Ca5(PO4)3F.

Instructions

Parse a chemical compound formula and return its composition.

Args: compound: Chemical formula, e.g. "SiO2", "H2O", "Ca5(PO4)3F"

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
compoundYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior2/5

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

No annotations exist, so the description carries full burden. It does not disclose behavior on invalid formulas, case sensitivity, or whether it is purely computational (non-destructive). Minimal transparency.

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

Conciseness4/5

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

The description is very brief—two sentences with an Args block—which is efficient and front-loaded. It avoids unnecessary text, earning its place.

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

Completeness3/5

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

The tool is simple with one parameter, and an output schema exists (not shown). The description covers basic usage but lacks details on error handling or formula constraints, making it minimally adequate.

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

Parameters4/5

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

The description includes an Args section with examples ('SiO2', 'H2O', 'Ca5(PO4)3F'), adding meaning beyond the schema's bare type definition. This partially compensates for the 0% schema description coverage, though more format details could help.

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

Purpose4/5

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

The description explicitly states 'Parse a chemical compound formula and return its composition,' providing a clear verb and resource. It is distinct from sibling tools that handle atomic properties or compound data retrieval, though it could further clarify what 'composition' entails.

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 provided on when to use this tool over alternatives. Given many sibling tools also involve compounds, the description lacks context for tool selection.

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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