dsh-chem
用于 DeepSeek Harness (dsh) 的确定性化学计算：支持化学式解析与摩尔质量计算（嵌套括号、水合物、离子电荷）、质量/物质的量/粒子数换算、溶液浓度计算（摩尔浓度、稀释、百分比）以及 pH/pOH/缓冲溶液计算——零运行时依赖
插件会安装到这里；不确定时保持 web。
npx -y @deepseek-ai/dsh plugin --profile web add github:TYEclipse/dsh-chem#fe2c54280f449ac801dbe12aab9b5f05039b298bChem 以 dsh-chem 发布，当前版本为 0.1.3。Plugin Hub 会校验它的 manifest，并保存精确安装来源，便于复现安装结果。
Deterministic chemistry math for DeepSeek Harness (dsh) — zero runtime dependencies, pure arithmetic over IUPAC data.
中文简介：化学计量数学工具箱。四个零依赖确定性工具——化学式解析与摩尔质量（支持嵌套括号、结晶水、离子电荷）、质量/摩尔/粒子数换算、溶液浓度（摩尔浓度、稀释 C1V1=C2V2、百分比浓度）、pH/pOH 与缓冲溶液。专门替代 LLM 高频出错的化学心算。
Agents get chemistry arithmetic wrong in predictable ways:
These tools replace all of it with deterministic tables and formulas. No network, no state, no dependencies — install and call.
formula_mass — parse a formula and compute molar massAccepts nested parentheses, hydrate dots (CuSO4·5H2O, * also works), leading coefficients (2H2O) and ionic charges. Uses IUPAC standard atomic weights; elements without stable isotopes use the most-stable-isotope mass number (flagged with usedMassNumber).
{ "formula": "H2SO4" }
{
"valid": true,
"formula": "H2SO4",
"molarMass": 98.072,
"elements": [
{ "symbol": "H", "name": "Hydrogen", "count": 2, "atomicMass": 1.008, "massContribution": 2.016, "massFraction": 0.02056 },
{ "symbol": "O", "name": "Oxygen", "count": 4, "atomicMass": 15.999, "massContribution": 63.996, "massFraction": 0.65254 },
{ "symbol": "S", "name": "Sulfur", "count": 1, "atomicMass": 32.06, "massContribution": 32.06, "massFraction": 0.32690 }
],
"usedMassNumber": false
}
Charge disambiguation rule (documented, deterministic): digits immediately before a trailing +/- belong to the ionic charge only when every element parsed so far is the same single element — Fe3+ is Fe with 3+, S2- is S with 2-, Ca2+ is Ca with 2+. Otherwise they are a subscript and the bare sign is a 1-unit charge — NH4+ is N + H4 with +, NO3- is N + O3 with -. The explicit form SO4^2- is always the charge, and O2^+ escapes the rule for subscript-before-charge. Single lowercase symbols are auto-corrected (h2o → H2O); multi-letter lowercase runs are rejected with a case-sensitivity hint.
mass_moles — mass / amount / particle conversionsSix modes (mass_to_moles, moles_to_mass, mass_to_particles, particles_to_mass, moles_to_particles, particles_to_moles), molar mass from a formula or given directly, Avogadro constant 6.02214076e23.
{ "mode": "mass_to_moles", "value": 98, "formula": "H2SO4" }
{ "valid": true, "mode": "mass_to_moles", "molarMass": 98.072, "avogadro": 6.02214076e+23, "formula": "H2SO4", "moles": 0.9992658455012644 }
solution — concentration mathFour operations:
molarity — mass of solute + volume → mol/L: { "operation": "molarity", "massG": 58.44, "volumeMl": 250, "formula": "NaCl" } → molarity: 4prepare — target molarity + volume → solute mass: { "operation": "prepare", "molarity": 0.1, "volumeMl": 500, "formula": "NaOH" } → massG: 1.99985dilute — C1V1 = C2V2, give any three of c1/v1/c2/v2 (M, mL) and the missing one is computed: { "operation": "dilute", "c1": 2, "c2": 0.5, "v2": 250 } → v1: 62.5, solved: "v1"percent — wv (g per 100 mL), vv (mL per 100 mL) or mass percent: { "operation": "percent", "percentType": "wv", "soluteG": 5, "solutionMl": 200 } → percent: 2.5ph — pH chemistry at 25 °C (Kw = 1e-14)Five operations:
from_h — { "operation": "from_h", "hConc": 0.001 } → pH: 3, pOH: 11, ohConc: 1e-11from_oh — [OH-] → pH/pOHfrom_ph — pH → [H+]from_poh — pOH → [OH-]buffer — Henderson–Hasselbalch: { "operation": "buffer", "pKa": 4.76, "acidConc": 0.2, "baseConc": 0.1 } → pH: 4.4589700043360185, bufferRatio: 0.5Negative pH for >1 M acids is supported ([H+] = 2 → pH −0.301).
dsh plugin --profile <profile> add github:TYEclipse/dsh-chem
(Requires pnpm on PATH — dsh plugin forwards installs to it.)
dsh plugin --profile <profile> list # dsh-chem present
dsh --dump-config --profile <profile> # == dsh-chem layer present
pnpm install
pnpm build # tsc -> dist/ (committed; git installs do not build)
pnpm test # vitest, 102 tests
pnpm lint # oxlint src test
All numeric anchors are generated by the independent Python oracle test/anchors-chem.py (own periodic table + own tokenizer) and cross-validated against published textbook molar masses (H2O 18.015, H2SO4 98.08, NaCl 58.44, Ca(OH)2 74.09, CuSO4·5H2O 249.68, C6H12O6 180.16, KMnO4 158.03, NH3 17.03).
MIT