diff-grok 1.1.0 → 1.2.0

package/src/solver-tools/cvode/cvode_hin.ts

@@ -0,0 +1,150 @@
+/**
+ * TypeScript port of SUNDIALS CVODE v7.5.0 (https://github.com/LLNL/sundials)
+ *
+ * Copyright (c) 2025, Lawrence Livermore National Security, University of
+ *   Maryland Baltimore County, and the SUNDIALS contributors.
+ * Copyright (c) 2013-2025, Lawrence Livermore National Security and
+ *   Southern Methodist University.
+ * Copyright (c) 2002-2013, Lawrence Livermore National Security.
+ * Copyright (c) 2026 Datagrok.
+ *
+ * Licensed under the BSD-3-Clause License. See THIRD_PARTY_LICENSES
+ * for the full license text and provenance chain of the original code.
+ */
+
+// CVODE TypeScript port - Initial step size estimation
+// Ported from SUNDIALS CVODE cvode.c (cvHin, cvUpperBoundH0, cvYddNorm)
+
+import {CvodeMem, wrmsNorm, vLinearSum, vScale, CV_SUCCESS,
+  CV_RHSFUNC_FAIL, RHSFUNC_RECVR, CV_TOO_CLOSE,
+  HLB_FACTOR, HUB_FACTOR, H_BIAS, MAX_ITERS, TINY} from './common';
+
+/**
+ * cvHin - Compute initial step size h0.
+ *
+ * The algorithm:
+ * 1. Compute a bound hub on |h| from ydot and tdist
+ * 2. Set hlb = HLB_FACTOR * tround  (lower bound)
+ * 3. Iterate to estimate ||y''|| and compute h candidates
+ * 4. h0 = H_BIAS * geometric mean of hlb and hub candidates
+ */
+export function cvHin(mem: CvodeMem, tout: number): number {
+  const N = mem.cv_N;
+  const sign = (tout - mem.cv_tn >= 0.0) ? 1.0 : -1.0;
+  const tdist = Math.abs(tout - mem.cv_tn);
+  const tround = Math.max(Math.abs(mem.cv_tn), Math.abs(tout)) * 2.2204460492503131e-16;
+
+  if (tdist < 2.0 * tround) return CV_TOO_CLOSE;
+
+  // Set lower and upper bounds on h0, initial guess
+  const hlb = HLB_FACTOR * tround;
+  const hub = cvUpperBoundH0(mem, tdist);
+
+  // Initial guess - geometric mean
+  let hg = Math.sqrt(hlb * hub);
+  if (hub < 100.0 * hlb)
+    hg = 0.5 * hub;
+
+
+  // Iterate to estimate ydd norm
+  let hnew = hg;
+  let retval: number;
+
+  for (let count = 0; count < MAX_ITERS; count++) {
+    hg = hnew;
+
+    // Compute y''norm via finite difference
+    const result = cvYddNorm(mem, hg * sign);
+    retval = result.retval;
+    if (retval !== CV_SUCCESS) return retval;
+
+    const yddnrm = result.yddnrm;
+
+    // If yddnrm is zero, use current hg
+    if (yddnrm * hub * hub > 2.0)
+      hnew = Math.sqrt(2.0 / yddnrm);
+    else
+      hnew = Math.sqrt(hg * hub);
+
+
+    // Refine: make hnew be a geometric mean biased toward smaller
+    hnew = H_BIAS * hnew + (1.0 - H_BIAS) * hg;
+
+    // Check convergence
+    if (hnew / hg > 2.0 || hnew / hg < 0.5) continue;
+    // If converged, break
+    break;
+  }
+
+  // Bound hnew
+  hnew = Math.min(hnew, hub);
+  hnew = Math.max(hnew, hlb);
+
+  // Apply bounds on step size
+  if (mem.cv_hmax_inv > 0.0)
+    hnew = Math.min(hnew, 1.0 / mem.cv_hmax_inv);
+
+  if (mem.cv_hmin > 0.0)
+    hnew = Math.max(hnew, mem.cv_hmin);
+
+
+  // Bound by tdist
+  hnew = Math.min(hnew, tdist);
+
+  mem.cv_h = sign * hnew;
+  mem.cv_next_h = mem.cv_h;
+  mem.cv_hscale = mem.cv_h;
+
+  // Scale zn[1] = h * y'(t0)
+  vScale(mem.cv_h, mem.cv_zn[1], mem.cv_zn[1], N);
+
+  return CV_SUCCESS;
+}
+
+/**
+ * cvUpperBoundH0 - Compute upper bound on initial step size
+ * Based on ||y'|| weighted norm
+ */
+function cvUpperBoundH0(mem: CvodeMem, tdist: number): number {
+  const N = mem.cv_N;
+
+  // Get WRMS norm of y' (zn[1] = f(t0, y0) before scaling)
+  const hub_inv = wrmsNorm(N, mem.cv_zn[1], mem.cv_ewt);
+
+  // Bound based on tdist
+  let hub = HUB_FACTOR * tdist;
+
+  // Use smaller of two bounds
+  if (hub * hub_inv > 1.0)
+    hub = 1.0 / hub_inv;
+
+
+  return hub;
+}
+
+/**
+ * cvYddNorm - Estimate ||y''|| via finite difference
+ * y(t0 + hg) ~ y0 + hg*y'0
+ * y'(t0 + hg) = f(t0 + hg, y(t0 + hg))
+ * y'' ~ (y'(t0+hg) - y'(t0)) / hg
+ */
+function cvYddNorm(mem: CvodeMem, hg: number): { retval: number; yddnrm: number } {
+  const N = mem.cv_N;
+
+  // y = zn[0] + hg * zn[1] (zn[1] still holds unscaled f at this point)
+  vLinearSum(hg, mem.cv_zn[1], 1.0, mem.cv_zn[0], mem.cv_y, N);
+
+  // Evaluate f(t0 + hg, y)
+  const retval = mem.cv_f!(mem.cv_tn + hg, mem.cv_y, mem.cv_tempv, mem.cv_user_data);
+  mem.cv_nfe++;
+  if (retval < 0) return {retval: CV_RHSFUNC_FAIL, yddnrm: 0};
+  if (retval > 0) return {retval: RHSFUNC_RECVR, yddnrm: 0};
+
+  // tempv = (f(t0+hg, y) - zn[1]) / hg  (estimate of y'')
+  const hg_inv = 1.0 / hg;
+  vLinearSum(hg_inv, mem.cv_tempv, -hg_inv, mem.cv_zn[1], mem.cv_tempv, N);
+
+  const yddnrm = wrmsNorm(N, mem.cv_tempv, mem.cv_ewt);
+
+  return {retval: CV_SUCCESS, yddnrm};
+}

package/src/solver-tools/cvode/cvode_io.js

@@ -0,0 +1,203 @@
+/**
+ * TypeScript port of SUNDIALS CVODE v7.5.0 (https://github.com/LLNL/sundials)
+ *
+ * Copyright (c) 2025, Lawrence Livermore National Security, University of
+ *   Maryland Baltimore County, and the SUNDIALS contributors.
+ * Copyright (c) 2013-2025, Lawrence Livermore National Security and
+ *   Southern Methodist University.
+ * Copyright (c) 2002-2013, Lawrence Livermore National Security.
+ * Copyright (c) 2026 Datagrok.
+ *
+ * Licensed under the BSD-3-Clause License. See THIRD_PARTY_LICENSES
+ * for the full license text and provenance chain of the original code.
+ */
+// CVODE TypeScript port - Configuration and statistics I/O functions
+// Ported from SUNDIALS CVODE v7.5.0 (cvode_io.c)
+import { CV_SUCCESS, CV_SS, CV_SV, ADAMS_Q_MAX, BDF_Q_MAX, CV_ADAMS, } from './common';
+// ============================================================================
+// Tolerance functions
+// ============================================================================
+/**
+ * Set scalar relative and absolute tolerances.
+ * Requires rtol >= 0 and atol >= 0.
+ */
+export function cvodeSStolerances(mem, rtol, atol) {
+    if (rtol < 0) {
+        mem.cv_error = 'cvodeSStolerances: rtol must be >= 0';
+        return -1;
+    }
+    if (atol < 0) {
+        mem.cv_error = 'cvodeSStolerances: atol must be >= 0';
+        return -1;
+    }
+    mem.cv_reltol = rtol;
+    mem.cv_Sabstol = atol;
+    mem.cv_itol = CV_SS;
+    mem.cv_atolmin0 = (atol === 0);
+    return CV_SUCCESS;
+}
+/**
+ * Set scalar relative tolerance and vector absolute tolerance.
+ * Requires rtol >= 0 and all atol[i] >= 0.
+ */
+export function cvodeSVtolerances(mem, rtol, atol) {
+    if (rtol < 0) {
+        mem.cv_error = 'cvodeSVtolerances: rtol must be >= 0';
+        return -1;
+    }
+    for (let i = 0; i < atol.length; i++) {
+        if (atol[i] < 0) {
+            mem.cv_error = `cvodeSVtolerances: atol[${i}] must be >= 0`;
+            return -1;
+        }
+    }
+    mem.cv_reltol = rtol;
+    mem.cv_Vabstol = new Float64Array(atol);
+    mem.cv_itol = CV_SV;
+    let minAtol = Infinity;
+    for (let i = 0; i < atol.length; i++)
+        if (atol[i] < minAtol)
+            minAtol = atol[i];
+    mem.cv_atolmin0 = (minAtol === 0);
+    mem.cv_VabstolMallocDone = true;
+    return CV_SUCCESS;
+}
+// ============================================================================
+// Optional input functions
+// ============================================================================
+/**
+ * Set the maximum number of internal steps per call to CVode.
+ */
+export function cvodeSetMaxNumSteps(mem, mxstep) {
+    mem.cv_mxstep = mxstep;
+    return CV_SUCCESS;
+}
+/**
+ * Set the maximum method order. Clamped to [1, qmax] where qmax is
+ * ADAMS_Q_MAX or BDF_Q_MAX depending on the linear multistep method.
+ */
+export function cvodeSetMaxOrd(mem, maxord) {
+    const qmax = (mem.cv_lmm === CV_ADAMS) ? ADAMS_Q_MAX : BDF_Q_MAX;
+    if (maxord < 1)
+        maxord = 1;
+    if (maxord > qmax)
+        maxord = qmax;
+    mem.cv_qmax = maxord;
+    return CV_SUCCESS;
+}
+/**
+ * Set the maximum step size. If hmax <= 0, no upper limit is imposed
+ * (cv_hmax_inv = 0). Otherwise cv_hmax_inv = 1 / hmax.
+ */
+export function cvodeSetMaxStep(mem, hmax) {
+    if (hmax <= 0)
+        mem.cv_hmax_inv = 0;
+    else
+        mem.cv_hmax_inv = 1.0 / hmax;
+    return CV_SUCCESS;
+}
+/**
+ * Set the minimum step size (stored as absolute value).
+ */
+export function cvodeSetMinStep(mem, hmin) {
+    mem.cv_hmin = Math.abs(hmin);
+    return CV_SUCCESS;
+}
+/**
+ * Set the initial step size hint.
+ */
+export function cvodeSetInitStep(mem, hin) {
+    mem.cv_hin = hin;
+    return CV_SUCCESS;
+}
+/**
+ * Set a stop time. Integration will not proceed past tstop.
+ */
+export function cvodeSetStopTime(mem, tstop) {
+    mem.cv_tstop = tstop;
+    mem.cv_tstopset = true;
+    mem.cv_tstopinterp = true;
+    return CV_SUCCESS;
+}
+/**
+ * Attach user data that will be passed to the RHS, Jacobian, and root
+ * functions.
+ */
+export function cvodeSetUserData(mem, data) {
+    mem.cv_user_data = data;
+    return CV_SUCCESS;
+}
+/**
+ * Enable or disable BDF stability limit detection.
+ */
+export function cvodeSetStabLimDet(mem, on) {
+    mem.cv_sldeton = on;
+    return CV_SUCCESS;
+}
+// ============================================================================
+// Statistics getters
+// ============================================================================
+/** Return the total number of internal steps taken. */
+export function cvodeGetNumSteps(mem) {
+    return mem.cv_nst;
+}
+/** Return the total number of RHS evaluations. */
+export function cvodeGetNumRhsEvals(mem) {
+    return mem.cv_nfe;
+}
+/** Return the number of linear solver setup calls. */
+export function cvodeGetNumLinSolvSetups(mem) {
+    return mem.cv_nsetups;
+}
+/** Return the number of error test failures. */
+export function cvodeGetNumErrTestFails(mem) {
+    return mem.cv_netf;
+}
+/** Return the number of nonlinear solver iterations. */
+export function cvodeGetNumNonlinSolvIters(mem) {
+    return mem.cv_nni;
+}
+/** Return the number of nonlinear solver convergence failures. */
+export function cvodeGetNumNonlinSolvConvFails(mem) {
+    return mem.cv_ncfn;
+}
+/** Return the number of Jacobian evaluations (from the linear solver). */
+export function cvodeGetNumJacEvals(mem) {
+    var _a, _b;
+    return (_b = (_a = mem.cv_lmem) === null || _a === void 0 ? void 0 : _a.nje) !== null && _b !== void 0 ? _b : 0;
+}
+/** Return the total number of root-function evaluations. */
+export function cvodeGetNumGEvals(mem) {
+    return mem.cv_nge;
+}
+/** Return the method order used on the last successful step. */
+export function cvodeGetLastOrder(mem) {
+    return mem.cv_qu;
+}
+/** Return the step size used on the last successful step. */
+export function cvodeGetLastStep(mem) {
+    return mem.cv_hu;
+}
+/** Return the current internal time reached by the solver. */
+export function cvodeGetCurrentTime(mem) {
+    return mem.cv_tn;
+}
+/**
+ * Return a snapshot of all integrator statistics as a plain object.
+ */
+export function cvodeGetIntegratorStats(mem) {
+    return {
+        nSteps: cvodeGetNumSteps(mem),
+        nRhsEvals: cvodeGetNumRhsEvals(mem),
+        nLinSolvSetups: cvodeGetNumLinSolvSetups(mem),
+        nErrTestFails: cvodeGetNumErrTestFails(mem),
+        nNonlinSolvIters: cvodeGetNumNonlinSolvIters(mem),
+        nNonlinSolvConvFails: cvodeGetNumNonlinSolvConvFails(mem),
+        nJacEvals: cvodeGetNumJacEvals(mem),
+        nGEvals: cvodeGetNumGEvals(mem),
+        lastOrder: cvodeGetLastOrder(mem),
+        lastStep: cvodeGetLastStep(mem),
+        currentTime: cvodeGetCurrentTime(mem),
+    };
+}
+//# sourceMappingURL=cvode_io.js.map

package/src/solver-tools/cvode/cvode_io.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"cvode_io.js","sourceRoot":"","sources":["cvode_io.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAEH,qEAAqE;AACrE,iDAAiD;AAEjD,OAAO,EAEL,UAAU,EACV,KAAK,EACL,KAAK,EACL,WAAW,EACX,SAAS,EACT,QAAQ,GACT,MAAM,UAAU,CAAC;AAoBlB,+EAA+E;AAC/E,sBAAsB;AACtB,+EAA+E;AAE/E;;;GAGG;AACH,MAAM,UAAU,iBAAiB,CAAC,GAAa,EAAE,IAAY,EAAE,IAAY;IACzE,IAAI,IAAI,GAAG,CAAC,EAAE,CAAC;QACb,GAAG,CAAC,QAAQ,GAAG,sCAAsC,CAAC;QACtD,OAAO,CAAC,CAAC,CAAC;IACZ,CAAC;IACD,IAAI,IAAI,GAAG,CAAC,EAAE,CAAC;QACb,GAAG,CAAC,QAAQ,GAAG,sCAAsC,CAAC;QACtD,OAAO,CAAC,CAAC,CAAC;IACZ,CAAC;IAED,GAAG,CAAC,SAAS,GAAG,IAAI,CAAC;IACrB,GAAG,CAAC,UAAU,GAAG,IAAI,CAAC;IACtB,GAAG,CAAC,OAAO,GAAG,KAAK,CAAC;IACpB,GAAG,CAAC,WAAW,GAAG,CAAC,IAAI,KAAK,CAAC,CAAC,CAAC;IAE/B,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,iBAAiB,CAAC,GAAa,EAAE,IAAY,EAAE,IAAkB;IAC/E,IAAI,IAAI,GAAG,CAAC,EAAE,CAAC;QACb,GAAG,CAAC,QAAQ,GAAG,sCAAsC,CAAC;QACtD,OAAO,CAAC,CAAC,CAAC;IACZ,CAAC;IACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC;QACrC,IAAI,IAAI,CAAC,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC;YAChB,GAAG,CAAC,QAAQ,GAAG,2BAA2B,CAAC,gBAAgB,CAAC;YAC5D,OAAO,CAAC,CAAC,CAAC;QACZ,CAAC;IACH,CAAC;IAED,GAAG,CAAC,SAAS,GAAG,IAAI,CAAC;IACrB,GAAG,CAAC,UAAU,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,CAAC;IACxC,GAAG,CAAC,OAAO,GAAG,KAAK,CAAC;IAEpB,IAAI,OAAO,GAAG,QAAQ,CAAC;IACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE;QAClC,IAAI,IAAI,CAAC,CAAC,CAAC,GAAG,OAAO;YAAE,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;IAE3C,GAAG,CAAC,WAAW,GAAG,CAAC,OAAO,KAAK,CAAC,CAAC,CAAC;IAClC,GAAG,CAAC,oBAAoB,GAAG,IAAI,CAAC;IAEhC,OAAO,UAAU,CAAC;AACpB,CAAC;AAED,+EAA+E;AAC/E,2BAA2B;AAC3B,+EAA+E;AAE/E;;GAEG;AACH,MAAM,UAAU,mBAAmB,CAAC,GAAa,EAAE,MAAc;IAC/D,GAAG,CAAC,SAAS,GAAG,MAAM,CAAC;IACvB,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,cAAc,CAAC,GAAa,EAAE,MAAc;IAC1D,MAAM,IAAI,GAAG,CAAC,GAAG,CAAC,MAAM,KAAK,QAAQ,CAAC,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC,SAAS,CAAC;IACjE,IAAI,MAAM,GAAG,CAAC;QAAE,MAAM,GAAG,CAAC,CAAC;IAC3B,IAAI,MAAM,GAAG,IAAI;QAAE,MAAM,GAAG,IAAI,CAAC;IACjC,GAAG,CAAC,OAAO,GAAG,MAAM,CAAC;IACrB,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,eAAe,CAAC,GAAa,EAAE,IAAY;IACzD,IAAI,IAAI,IAAI,CAAC;QACX,GAAG,CAAC,WAAW,GAAG,CAAC,CAAC;;QAEpB,GAAG,CAAC,WAAW,GAAG,GAAG,GAAG,IAAI,CAAC;IAE/B,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,eAAe,CAAC,GAAa,EAAE,IAAY;IACzD,GAAG,CAAC,OAAO,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;IAC7B,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,gBAAgB,CAAC,GAAa,EAAE,GAAW;IACzD,GAAG,CAAC,MAAM,GAAG,GAAG,CAAC;IACjB,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,gBAAgB,CAAC,GAAa,EAAE,KAAa;IAC3D,GAAG,CAAC,QAAQ,GAAG,KAAK,CAAC;IACrB,GAAG,CAAC,WAAW,GAAG,IAAI,CAAC;IACvB,GAAG,CAAC,cAAc,GAAG,IAAI,CAAC;IAC1B,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,gBAAgB,CAAC,GAAa,EAAE,IAAS;IACvD,GAAG,CAAC,YAAY,GAAG,IAAI,CAAC;IACxB,OAAO,UAAU,CAAC;AACpB,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,kBAAkB,CAAC,GAAa,EAAE,EAAW;IAC3D,GAAG,CAAC,UAAU,GAAG,EAAE,CAAC;IACpB,OAAO,UAAU,CAAC;AACpB,CAAC;AAED,+EAA+E;AAC/E,qBAAqB;AACrB,+EAA+E;AAE/E,uDAAuD;AACvD,MAAM,UAAU,gBAAgB,CAAC,GAAa;IAC5C,OAAO,GAAG,CAAC,MAAM,CAAC;AACpB,CAAC;AAED,kDAAkD;AAClD,MAAM,UAAU,mBAAmB,CAAC,GAAa;IAC/C,OAAO,GAAG,CAAC,MAAM,CAAC;AACpB,CAAC;AAED,sDAAsD;AACtD,MAAM,UAAU,wBAAwB,CAAC,GAAa;IACpD,OAAO,GAAG,CAAC,UAAU,CAAC;AACxB,CAAC;AAED,gDAAgD;AAChD,MAAM,UAAU,uBAAuB,CAAC,GAAa;IACnD,OAAO,GAAG,CAAC,OAAO,CAAC;AACrB,CAAC;AAED,wDAAwD;AACxD,MAAM,UAAU,0BAA0B,CAAC,GAAa;IACtD,OAAO,GAAG,CAAC,MAAM,CAAC;AACpB,CAAC;AAED,kEAAkE;AAClE,MAAM,UAAU,8BAA8B,CAAC,GAAa;IAC1D,OAAO,GAAG,CAAC,OAAO,CAAC;AACrB,CAAC;AAED,0EAA0E;AAC1E,MAAM,UAAU,mBAAmB,CAAC,GAAa;;IAC/C,OAAO,MAAA,MAAA,GAAG,CAAC,OAAO,0CAAE,GAAG,mCAAI,CAAC,CAAC;AAC/B,CAAC;AAED,4DAA4D;AAC5D,MAAM,UAAU,iBAAiB,CAAC,GAAa;IAC7C,OAAO,GAAG,CAAC,MAAM,CAAC;AACpB,CAAC;AAED,gEAAgE;AAChE,MAAM,UAAU,iBAAiB,CAAC,GAAa;IAC7C,OAAO,GAAG,CAAC,KAAK,CAAC;AACnB,CAAC;AAED,6DAA6D;AAC7D,MAAM,UAAU,gBAAgB,CAAC,GAAa;IAC5C,OAAO,GAAG,CAAC,KAAK,CAAC;AACnB,CAAC;AAED,8DAA8D;AAC9D,MAAM,UAAU,mBAAmB,CAAC,GAAa;IAC/C,OAAO,GAAG,CAAC,KAAK,CAAC;AACnB,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,uBAAuB,CAAC,GAAa;IACnD,OAAO;QACL,MAAM,EAAE,gBAAgB,CAAC,GAAG,CAAC;QAC7B,SAAS,EAAE,mBAAmB,CAAC,GAAG,CAAC;QACnC,cAAc,EAAE,wBAAwB,CAAC,GAAG,CAAC;QAC7C,aAAa,EAAE,uBAAuB,CAAC,GAAG,CAAC;QAC3C,gBAAgB,EAAE,0BAA0B,CAAC,GAAG,CAAC;QACjD,oBAAoB,EAAE,8BAA8B,CAAC,GAAG,CAAC;QACzD,SAAS,EAAE,mBAAmB,CAAC,GAAG,CAAC;QACnC,OAAO,EAAE,iBAAiB,CAAC,GAAG,CAAC;QAC/B,SAAS,EAAE,iBAAiB,CAAC,GAAG,CAAC;QACjC,QAAQ,EAAE,gBAAgB,CAAC,GAAG,CAAC;QAC/B,WAAW,EAAE,mBAAmB,CAAC,GAAG,CAAC;KACtC,CAAC;AACJ,CAAC"}

package/src/solver-tools/cvode/cvode_io.ts

@@ -0,0 +1,258 @@
+/**
+ * TypeScript port of SUNDIALS CVODE v7.5.0 (https://github.com/LLNL/sundials)
+ *
+ * Copyright (c) 2025, Lawrence Livermore National Security, University of
+ *   Maryland Baltimore County, and the SUNDIALS contributors.
+ * Copyright (c) 2013-2025, Lawrence Livermore National Security and
+ *   Southern Methodist University.
+ * Copyright (c) 2002-2013, Lawrence Livermore National Security.
+ * Copyright (c) 2026 Datagrok.
+ *
+ * Licensed under the BSD-3-Clause License. See THIRD_PARTY_LICENSES
+ * for the full license text and provenance chain of the original code.
+ */
+
+// CVODE TypeScript port - Configuration and statistics I/O functions
+// Ported from SUNDIALS CVODE v7.5.0 (cvode_io.c)
+
+import {
+  CvodeMem,
+  CV_SUCCESS,
+  CV_SS,
+  CV_SV,
+  ADAMS_Q_MAX,
+  BDF_Q_MAX,
+  CV_ADAMS,
+} from './common';
+
+// ============================================================================
+// Statistics interface
+// ============================================================================
+
+export interface CvodeStats {
+  nSteps: number;
+  nRhsEvals: number;
+  nLinSolvSetups: number;
+  nErrTestFails: number;
+  nNonlinSolvIters: number;
+  nNonlinSolvConvFails: number;
+  nJacEvals: number;
+  nGEvals: number;
+  lastOrder: number;
+  lastStep: number;
+  currentTime: number;
+}
+
+// ============================================================================
+// Tolerance functions
+// ============================================================================
+
+/**
+ * Set scalar relative and absolute tolerances.
+ * Requires rtol >= 0 and atol >= 0.
+ */
+export function cvodeSStolerances(mem: CvodeMem, rtol: number, atol: number): number {
+  if (rtol < 0) {
+    mem.cv_error = 'cvodeSStolerances: rtol must be >= 0';
+    return -1;
+  }
+  if (atol < 0) {
+    mem.cv_error = 'cvodeSStolerances: atol must be >= 0';
+    return -1;
+  }
+
+  mem.cv_reltol = rtol;
+  mem.cv_Sabstol = atol;
+  mem.cv_itol = CV_SS;
+  mem.cv_atolmin0 = (atol === 0);
+
+  return CV_SUCCESS;
+}
+
+/**
+ * Set scalar relative tolerance and vector absolute tolerance.
+ * Requires rtol >= 0 and all atol[i] >= 0.
+ */
+export function cvodeSVtolerances(mem: CvodeMem, rtol: number, atol: Float64Array): number {
+  if (rtol < 0) {
+    mem.cv_error = 'cvodeSVtolerances: rtol must be >= 0';
+    return -1;
+  }
+  for (let i = 0; i < atol.length; i++) {
+    if (atol[i] < 0) {
+      mem.cv_error = `cvodeSVtolerances: atol[${i}] must be >= 0`;
+      return -1;
+    }
+  }
+
+  mem.cv_reltol = rtol;
+  mem.cv_Vabstol = new Float64Array(atol);
+  mem.cv_itol = CV_SV;
+
+  let minAtol = Infinity;
+  for (let i = 0; i < atol.length; i++)
+    if (atol[i] < minAtol) minAtol = atol[i];
+
+  mem.cv_atolmin0 = (minAtol === 0);
+  mem.cv_VabstolMallocDone = true;
+
+  return CV_SUCCESS;
+}
+
+// ============================================================================
+// Optional input functions
+// ============================================================================
+
+/**
+ * Set the maximum number of internal steps per call to CVode.
+ */
+export function cvodeSetMaxNumSteps(mem: CvodeMem, mxstep: number): number {
+  mem.cv_mxstep = mxstep;
+  return CV_SUCCESS;
+}
+
+/**
+ * Set the maximum method order. Clamped to [1, qmax] where qmax is
+ * ADAMS_Q_MAX or BDF_Q_MAX depending on the linear multistep method.
+ */
+export function cvodeSetMaxOrd(mem: CvodeMem, maxord: number): number {
+  const qmax = (mem.cv_lmm === CV_ADAMS) ? ADAMS_Q_MAX : BDF_Q_MAX;
+  if (maxord < 1) maxord = 1;
+  if (maxord > qmax) maxord = qmax;
+  mem.cv_qmax = maxord;
+  return CV_SUCCESS;
+}
+
+/**
+ * Set the maximum step size. If hmax <= 0, no upper limit is imposed
+ * (cv_hmax_inv = 0). Otherwise cv_hmax_inv = 1 / hmax.
+ */
+export function cvodeSetMaxStep(mem: CvodeMem, hmax: number): number {
+  if (hmax <= 0)
+    mem.cv_hmax_inv = 0;
+  else
+    mem.cv_hmax_inv = 1.0 / hmax;
+
+  return CV_SUCCESS;
+}
+
+/**
+ * Set the minimum step size (stored as absolute value).
+ */
+export function cvodeSetMinStep(mem: CvodeMem, hmin: number): number {
+  mem.cv_hmin = Math.abs(hmin);
+  return CV_SUCCESS;
+}
+
+/**
+ * Set the initial step size hint.
+ */
+export function cvodeSetInitStep(mem: CvodeMem, hin: number): number {
+  mem.cv_hin = hin;
+  return CV_SUCCESS;
+}
+
+/**
+ * Set a stop time. Integration will not proceed past tstop.
+ */
+export function cvodeSetStopTime(mem: CvodeMem, tstop: number): number {
+  mem.cv_tstop = tstop;
+  mem.cv_tstopset = true;
+  mem.cv_tstopinterp = true;
+  return CV_SUCCESS;
+}
+
+/**
+ * Attach user data that will be passed to the RHS, Jacobian, and root
+ * functions.
+ */
+export function cvodeSetUserData(mem: CvodeMem, data: any): number {
+  mem.cv_user_data = data;
+  return CV_SUCCESS;
+}
+
+/**
+ * Enable or disable BDF stability limit detection.
+ */
+export function cvodeSetStabLimDet(mem: CvodeMem, on: boolean): number {
+  mem.cv_sldeton = on;
+  return CV_SUCCESS;
+}
+
+// ============================================================================
+// Statistics getters
+// ============================================================================
+
+/** Return the total number of internal steps taken. */
+export function cvodeGetNumSteps(mem: CvodeMem): number {
+  return mem.cv_nst;
+}
+
+/** Return the total number of RHS evaluations. */
+export function cvodeGetNumRhsEvals(mem: CvodeMem): number {
+  return mem.cv_nfe;
+}
+
+/** Return the number of linear solver setup calls. */
+export function cvodeGetNumLinSolvSetups(mem: CvodeMem): number {
+  return mem.cv_nsetups;
+}
+
+/** Return the number of error test failures. */
+export function cvodeGetNumErrTestFails(mem: CvodeMem): number {
+  return mem.cv_netf;
+}
+
+/** Return the number of nonlinear solver iterations. */
+export function cvodeGetNumNonlinSolvIters(mem: CvodeMem): number {
+  return mem.cv_nni;
+}
+
+/** Return the number of nonlinear solver convergence failures. */
+export function cvodeGetNumNonlinSolvConvFails(mem: CvodeMem): number {
+  return mem.cv_ncfn;
+}
+
+/** Return the number of Jacobian evaluations (from the linear solver). */
+export function cvodeGetNumJacEvals(mem: CvodeMem): number {
+  return mem.cv_lmem?.nje ?? 0;
+}
+
+/** Return the total number of root-function evaluations. */
+export function cvodeGetNumGEvals(mem: CvodeMem): number {
+  return mem.cv_nge;
+}
+
+/** Return the method order used on the last successful step. */
+export function cvodeGetLastOrder(mem: CvodeMem): number {
+  return mem.cv_qu;
+}
+
+/** Return the step size used on the last successful step. */
+export function cvodeGetLastStep(mem: CvodeMem): number {
+  return mem.cv_hu;
+}
+
+/** Return the current internal time reached by the solver. */
+export function cvodeGetCurrentTime(mem: CvodeMem): number {
+  return mem.cv_tn;
+}
+
+/**
+ * Return a snapshot of all integrator statistics as a plain object.
+ */
+export function cvodeGetIntegratorStats(mem: CvodeMem): CvodeStats {
+  return {
+    nSteps: cvodeGetNumSteps(mem),
+    nRhsEvals: cvodeGetNumRhsEvals(mem),
+    nLinSolvSetups: cvodeGetNumLinSolvSetups(mem),
+    nErrTestFails: cvodeGetNumErrTestFails(mem),
+    nNonlinSolvIters: cvodeGetNumNonlinSolvIters(mem),
+    nNonlinSolvConvFails: cvodeGetNumNonlinSolvConvFails(mem),
+    nJacEvals: cvodeGetNumJacEvals(mem),
+    nGEvals: cvodeGetNumGEvals(mem),
+    lastOrder: cvodeGetLastOrder(mem),
+    lastStep: cvodeGetLastStep(mem),
+    currentTime: cvodeGetCurrentTime(mem),
+  };
+}