ketapk/frontend/js/pkCore.js

/**
 * ============================================================================
 * KétaPK - Moteur Pharmacocinétique (PK/PD)
 * Modèles : Domino (1982), Clements (1981), Kamp (2020)
 * ============================================================================
 */

export const MODES = {
  ESKETAMINE: 'ESKETAMINE',
  RACEMIQUE: 'RACEMIQUE'
};

// Modèles Multi-exponentiels
export const PK_MODELS = {
  DOMINO: {
    name: "Domino (1982)",
    refDose: 2.0,
    A: 14300, alpha: 1.35167,
    B: 2340,  beta:  0.09517,
    C: 197,   gamma: 0.00378,
    color: '#ff9933'
  },
  CLEMENTS: {
    name: "Clements (1981)",
    refDose: 0.25,
    A: 108,   alpha: 0.03940,
    B: 39,    beta:  0.00380,
    C: 0,     gamma: 0,
    color: '#6ec46c'
  },
  KAMP: {
    name: "Kamp (2020)",
    refDose: 0.5,
    A: 1332,  alpha: 0.24658,
    B: 155,   beta:  0.03845,
    C: 69,    gamma: 0.00409,
    color: '#4fafe3'
  }
};

// Zones d'effets cliniques et seuils (ng/mL)
export const CLINICAL_THRESHOLDS = {
  [MODES.ESKETAMINE]: {
    maxScale: 500,
    defaultConcentration: 5,
    zones: [
      { zoneKey: "inactive", min: 0, max: 10, color: "rgba(249, 252, 126, 0.25)", textHex: "#fef9c3" },
      { zoneKey: "anti_hyperalgesic", min: 10, max: 50, color: "rgba(218, 247, 166, 0.25)", textHex: "#d9f99d" },
      { zoneKey: "analgesia", min: 50, max: 150, color: "rgba(255, 195, 0, 0.25)", textHex: "#fef08a" },
      { zoneKey: "psychedelic", min: 150, max: 350, color: "rgba(242, 160, 223, 0.25)", textHex: "#fbcfe8" },
      { zoneKey: "emergence", min: 350, max: 500, color: "rgba(89, 196, 240, 0.25)", textHex: "#bae6fd" },
      { zoneKey: "narcosis", min: 500, max: 1000, color: "rgba(43, 122, 244, 0.25)", textHex: "#ffffff" },
      { zoneKey: "excessive", min: 1000, max: Infinity, color: "rgba(255, 87, 51, 0.25)", textHex: "#fecaca" }
    ]
  },
  [MODES.RACEMIQUE]: {
    maxScale: 1000,
    defaultConcentration: 10,
    zones: [
      { zoneKey: "inactive", min: 0, max: 20, color: "rgba(249, 252, 126, 0.25)", textHex: "#fef9c3" },
      { zoneKey: "anti_hyperalgesic", min: 20, max: 100, color: "rgba(218, 247, 166, 0.25)", textHex: "#d9f99d" },
      { zoneKey: "analgesia", min: 100, max: 300, color: "rgba(255, 195, 0, 0.25)", textHex: "#fef08a" },
      { zoneKey: "psychedelic", min: 300, max: 700, color: "rgba(242, 160, 223, 0.25)", textHex: "#fbcfe8" },
      { zoneKey: "emergence", min: 700, max: 1000, color: "rgba(89, 196, 240, 0.25)", textHex: "#bae6fd" },
      { zoneKey: "narcosis", min: 1000, max: 2000, color: "rgba(43, 122, 244, 0.25)", textHex: "#ffffff" },
      { zoneKey: "excessive", min: 2000, max: Infinity, color: "rgba(255, 87, 51, 0.25)", textHex: "#fecaca" }
    ]
  }
};

/**
 * Calcul d'un bolus unique à l'instant t
 */
export function calculateBolusCp(model, doseMg, weightKg, timeElapsedMin) {
  if (timeElapsedMin < 0 || weightKg <= 0) return 0;

  const dosePerKg = doseMg / weightKg;
  const { A, alpha, B, beta, C, gamma } = model;

  const termA = A * Math.exp(-alpha * timeElapsedMin);
  const termB = B * Math.exp(-beta * timeElapsedMin);
  const termC = C * (gamma ? Math.exp(-gamma * timeElapsedMin) : 0);

  return dosePerKg * (termA + termB + termC);
}

/**
 * Superposition Linéaire des Bolus et Perfusions sur 300 min
 */
export function generateSimulationData({ model, weightKg, timelineInputs }) {
  const timeGrid = Array.from({ length: 61 }, (_, i) => i * 5);
  const cpResults = new Array(61).fill(0);

  timeGrid.forEach((targetTime, targetIndex) => {
    let totalCp = 0;

    for (let i = 0; i <= targetIndex; i++) {
      const deltaTime = targetTime - timeGrid[i];
      const input = timelineInputs[i] || { bolusMg: 0, perfRateMgKgH: 0 };

      if (input.bolusMg > 0) {
        totalCp += calculateBolusCp(model, input.bolusMg, weightKg, deltaTime);
      }

      if (input.perfRateMgKgH > 0) {
        const perfDoseMg = (input.perfRateMgKgH * weightKg) * (5 / 60);
        totalCp += calculateBolusCp(model, perfDoseMg, weightKg, deltaTime);
      }
    }

    cpResults[targetIndex] = Math.round(totalCp * 100) / 100;
  });

  return cpResults;
}

// Moteur de conversion de doses
export const CalculatorEngine = {
  mgToMgKg: (mg, weight) => (weight > 0 ? mg / weight : 0),
  mgKgToMg: (mgKg, weight) => mgKg * weight,
  mgKgHToMicrogKgMin: (mgKgH) => (mgKgH * 1000) / 60,
  microgKgMinToMgKgH: (microg) => (microg * 60) / 1000
};