import {z} from 'zod'

export type GetApiCalculationReadMoleculesArgs = {uuids: Array<string>, return_frequencies?: boolean | undefined, access_token?: (string | null) | undefined};

export type GetApiCalculationReadMoleculesOptions = {baseUrl: string, APIKeyHeader?: string | undefined, fetch?: typeof fetch | undefined};

export const atom = z.object({atomic_number: z.number().int().gte(0), position: z.array(z.unknown()), mass: z.number().nullable().optional()});

export const periodicCellOutput = z.object({lattice_vectors: z.array(z.unknown()), is_periodic: z.array(z.unknown()).optional(), volume: z.number()});

export const vibrationalMode = z.object({frequency: z.number(), reduced_mass: z.number(), force_constant: z.number(), displacements: z.array(z.array(z.unknown())), ir_intensity: z.number().nullable().optional(), symmetry_label: z.string().nullable().optional()});

export const solvent = z.enum(["water", "nitromethane", "nitrobenzene", "toluene", "benzene", "chlorobenzene", "carbontetrachloride", "dichloroethane", "dichloromethane", "chloroform", "diethylether", "diisopropylether", "dimethylsulfoxide", "tetrahydrofuran", "cyclohexane", "aceticacid", "hexane", "octane", "decane", "ethylacetate", "acetone", "acetonitrile", "methanol", "ethanol", "isopropanol", "octanol", "dimethylacetamide", "dimethylformamide", "n_methylpyrrolidone", "ethylene_glycol"]);

export const cOSMORSParameterization = z.enum(["opencosmo_rs_24a", "rowan_cosmors_2026"]);

export const cOSMORSDataOutput = z.object({solvent: solvent, temperature: z.number().gt(0), parameterization: cOSMORSParameterization, e_diel: z.number(), mu_res: z.number(), mu_comb: z.number(), g_disp: z.number(), ring_correction: z.number(), standard_state: z.number(), eta: z.number(), n_rings: z.number().int().gte(0), gas_phase_energy: z.number().nullable().optional(), solvation_free_energy: z.number()});

export const bandStructure = z.object({kpoint_distances: z.array(z.number()), eigenvalues: z.array(z.array(z.number())), high_symmetry_points: z.array(z.array(z.unknown())), total_density_of_states: z.array(z.array(z.unknown())), band_gap: z.number(), valence_band_maximum: z.number(), conduction_band_minimum: z.number()});

export const moleculeOutput = z.object({charge: z.number().int(), multiplicity: z.number().int().gt(0), atoms: z.array(atom), cell: periodicCellOutput.nullable().optional(), energy: z.number().nullable().optional(), scf_iterations: z.number().int().gte(0).nullable().optional(), scf_completed: z.boolean().nullable().optional(), elapsed: z.number().nullable().optional(), homo_lumo_gap: z.number().nullable().optional(), gradient: z.array(z.array(z.unknown())).nullable().optional(), stress: z.array(z.unknown()).nullable().optional(), velocities: z.array(z.array(z.unknown())).nullable().optional(), mulliken_charges: z.array(z.number()).nullable().optional(), mulliken_spin_densities: z.array(z.number()).nullable().optional(), dipole: z.array(z.unknown()).nullable().optional(), vibrational_modes: z.array(vibrationalMode).nullable().optional(), zero_point_energy: z.number().nullable().optional(), thermal_energy_corr: z.number().nullable().optional(), thermal_enthalpy_corr: z.number().nullable().optional(), thermal_free_energy_corr: z.number().nullable().optional(), excited_state_energies: z.array(z.number()).nullable().optional(), oscillator_strengths: z.array(z.number()).nullable().optional(), rotatory_strengths: z.array(z.number()).nullable().optional(), cosmo_rs_data: cOSMORSDataOutput.nullable().optional(), symmetry: z.union([z.string(), z.number().int()]).nullable().optional(), x_ray_diffraction_peaks: z.array(z.array(z.unknown())).nullable().optional(), band_structure: bandStructure.nullable().optional(), elastic_tensor: z.array(z.unknown()).nullable().optional(), smiles: z.string().nullable().optional(), calculation_index: z.number().int().nullable().optional(), name: z.string().nullable().optional(), metadata: z.record(z.string(), z.union([z.boolean(), z.number(), z.number().int(), z.string()])).nullable().optional(), pressure_gpa: z.number().nullable()});

export const getApiCalculationReadMoleculesResponse = z.array(z.union([moleculeOutput, z.object({})]));

export const validateResponse = async <Output>(
  schema: {
    readonly '~standard': {
      readonly validate: (value: unknown) => ({ readonly value: Output; readonly issues?: undefined } | { readonly issues: ReadonlyArray<{ readonly message: string; readonly path?: ReadonlyArray<PropertyKey | { readonly key: PropertyKey }> | undefined }> }) | Promise<{ readonly value: Output; readonly issues?: undefined } | { readonly issues: ReadonlyArray<{ readonly message: string; readonly path?: ReadonlyArray<PropertyKey | { readonly key: PropertyKey }> | undefined }> }>
    }
  },
  value: unknown
): Promise<Output> => {
  const result = await schema['~standard'].validate(value)

  if (result.issues !== undefined) {
    const detail = result.issues
      .map(({ message, path }) =>
        path?.length
          ? `${path.map((segment) => String(typeof segment === 'object' ? segment.key : segment)).join('.')}: ${message}`
          : message
      )
      .join('; ')

    throw new Error(`Response does not match the schema: ${detail}`, { cause: { issues: result.issues } })
  }

  return result.value
};

/**
 * Read Molecules
 * 
 * GET /calculation/read_molecules
 */
export const getApiCalculationReadMolecules = async (args: GetApiCalculationReadMoleculesArgs, options: GetApiCalculationReadMoleculesOptions) => {
const {baseUrl, fetch: fetchFn = fetch, APIKeyHeader} = options ?? {}

const query = new URLSearchParams()
const headers = new Headers()
const cookies: string[] = []
headers.set('accept', "application/json")

for (const item of args.uuids ?? []) query.append("uuids", String(item))
if (args.return_frequencies != null) query.append("return_frequencies", String(args.return_frequencies))
if (args.access_token != null) cookies.push("access_token=" + encodeURIComponent(String(args.access_token)))
if (APIKeyHeader !== undefined) headers.set("X-API-Key", APIKeyHeader)
if (cookies.length > 0) headers.set('cookie', cookies.join('; '))

const url = `${baseUrl.replace(/\/+$/, '')}/calculation/read_molecules${query.size > 0 ? `?${query}` : ''}`

const res = await fetchFn(url, {method: "GET", headers})

if (!res.ok) throw new Error(`Request failed with status ${res.status}`, {cause: {status: res.status, body: await res.text()}})

return validateResponse(getApiCalculationReadMoleculesResponse, await res.json())
};