oxiflow 0.5.0

Generic PDE solving engine for transport, reaction and diffusion phenomena (∂u/∂t + ∇·F = S)
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
//! # Module `solver::methods::euler`
//!
//! Forward Euler integrator — explicit, 1st order (issues #33, #41).
//!
//! ## Algorithm
//!
//! At each time step:
//!
//! $$u^{n+1} = u^n + \Delta t \cdot f(u^n, \text{ctx}^n)$$
//!
//! where $f = \text{compute\_physics}(u, \text{ctx})$ is the time derivative
//! returned by the physical model, evaluated on `u` *after* boundary
//! conditions have been enforced (see [`super::evaluate_derivative`]).
//!
//! ## Scope at J4a
//!
//! - Single-domain scenarios only (`n_domains() == 1`). Multi-domain
//!   scenarios with `CouplingOperator` are out of scope for this solver —
//!   see #40 for the dedicated multi-domain proto.
//! - No `DiscreteOperator` (INV-2) — spatial schemes arrive at J4b.
//!   The model computes `du/dt` internally from the field state and context.
//! - Boundary conditions ARE applied (since v0.2.0 / DD-008) — fixed in #41;
//!   the original J1 implementation predated `BoundaryCondition` and never
//!   called it, silently violating the contractual order documented in
//!   [`crate::solver`].
//! - `StepControl::Fixed { dt }` only — adaptive step at J4 (DoPri45).
//!
//! ## Stability
//!
//! For explicit methods, stability requires the CFL condition:
//!
//! $$\text{CFL} = \frac{v \, \Delta t}{\Delta x} \leq 1$$
//!
//! The solver does not enforce this automatically — the caller is responsible
//! for choosing a stable `dt`.

use crate::context::error::OxiflowError;
use crate::context::value::ContextValue;
use crate::context::ContextCalculator;
use crate::solver::methods::{evaluate_derivative, SteppableSolver};
use crate::solver::scenario::{Domain, Scenario};
use crate::solver::{SimulationResult, Solver, SolverConfiguration};

/// Forward Euler solver — explicit, 1st order.
///
/// Implements the `Solver` trait for single-domain problems with fixed step
/// control. See [module documentation](self) for algorithm details.
///
/// # Examples
///
/// ```rust,ignore
/// use oxiflow::solver::methods::euler::ForwardEulerSolver;
/// use oxiflow::solver::{Scenario, SolverConfiguration, TimeConfiguration, StepControl, IntegratorKind};
/// use oxiflow::mesh::UniformGrid1D;
///
/// let scenario = Scenario::single(Box::new(my_model), Box::new(mesh));
/// let config = SolverConfiguration::new(
///     TimeConfiguration::new(100.0, StepControl::Fixed { dt: 0.1 }),
///     IntegratorKind::Euler,
/// );
/// let solver = ForwardEulerSolver;
/// let result = solver.solve(&scenario, &config).unwrap();
/// ```
pub struct ForwardEulerSolver;

impl Solver for ForwardEulerSolver {
    fn solve(
        &self,
        scenario: &Scenario,
        config: &SolverConfiguration,
    ) -> Result<SimulationResult, OxiflowError> {
        self.solve_fixed_step(scenario, config)
    }
}

impl SteppableSolver for ForwardEulerSolver {
    fn step(
        &self,
        domain: &Domain,
        chain: &[&dyn ContextCalculator],
        state: &mut ContextValue,
        _history: &[ContextValue],
        t: f64,
        dt: f64,
    ) -> Result<ContextValue, OxiflowError> {
        // history_depth() defaults to 0 -- Euler is a one-step method,
        // `_history` is always empty here and intentionally unused.
        // Contractual order (calculators -> BCs -> compute_physics) is
        // enforced once, here, for both Euler and RK4 — see
        // `solver::methods::evaluate_derivative`. `state` is corrected
        // in-place by boundary conditions before the derivative is taken.
        let du_dt = evaluate_derivative(domain, chain, state, t, dt)?;

        // Euler step: u_next = u + dt * du_dt
        euler_step(state, &du_dt, dt)
    }
}

/// Computes `u + dt * du_dt` for `ScalarField` states.
///
/// Returns `OxiflowError::TypeMismatch` if `u` and `du_dt` are not both
/// `ScalarField`, or `InvalidDomain` if their lengths differ.
fn euler_step(
    u: &ContextValue,
    du_dt: &ContextValue,
    dt: f64,
) -> Result<ContextValue, OxiflowError> {
    let u_field = u.as_scalar_field()?;
    let du_field = du_dt.as_scalar_field()?;

    if u_field.len() != du_field.len() {
        return Err(OxiflowError::InvalidDomain(format!(
            "state length {} != derivative length {}",
            u_field.len(),
            du_field.len()
        )));
    }

    Ok(ContextValue::ScalarField(u_field + du_field * dt))
}

// ── Tests ─────────────────────────────────────────────────────────────────────

#[cfg(test)]
mod tests {
    use super::*;
    use crate::context::compute::ComputeContext;
    use crate::context::error::OxiflowError;
    use crate::context::value::ContextValue;
    use crate::context::variable::ContextVariable;
    use crate::mesh::{Mesh, UniformGrid1D};
    use crate::model::traits::{PhysicalModel, RequiresContext};
    use crate::solver::config::{
        IntegratorKind, SolverConfiguration, StepControl, TimeConfiguration,
    };
    use nalgebra::DVector;

    // ── Fixtures ──────────────────────────────────────────────────────────────

    /// Pure exponential decay: du/dt = -lambda * u
    /// Analytical solution: u(t) = u0 * exp(-lambda * t)
    #[derive(Debug)]
    struct ExponentialDecay {
        lambda: f64,
    }

    impl RequiresContext for ExponentialDecay {
        fn required_variables(&self) -> Vec<ContextVariable> {
            vec![]
        }
    }

    impl PhysicalModel for ExponentialDecay {
        fn compute_physics(
            &self,
            state: &ContextValue,
            _ctx: &ComputeContext,
        ) -> Result<ContextValue, OxiflowError> {
            let u = state.as_scalar_field()?;
            Ok(ContextValue::ScalarField(u.map(|v| -self.lambda * v)))
        }

        fn initial_state(&self, mesh: &dyn Mesh) -> ContextValue {
            ContextValue::ScalarField(DVector::from_element(mesh.n_dof(), 1.0))
        }

        fn name(&self) -> &str {
            "exponential_decay"
        }
    }

    /// Constant zero derivative — field stays unchanged.
    #[derive(Debug)]
    struct ZeroDerivative;

    impl RequiresContext for ZeroDerivative {
        fn required_variables(&self) -> Vec<ContextVariable> {
            vec![]
        }
    }

    impl PhysicalModel for ZeroDerivative {
        fn compute_physics(
            &self,
            state: &ContextValue,
            _ctx: &ComputeContext,
        ) -> Result<ContextValue, OxiflowError> {
            let u = state.as_scalar_field()?;
            Ok(ContextValue::ScalarField(DVector::from_element(
                u.len(),
                0.0,
            )))
        }

        fn initial_state(&self, mesh: &dyn Mesh) -> ContextValue {
            ContextValue::ScalarField(DVector::from_element(mesh.n_dof(), 2.5))
        }

        fn name(&self) -> &str {
            "zero_derivative"
        }
    }

    fn make_config(t_end: f64, dt: f64) -> SolverConfiguration {
        SolverConfiguration::new(
            TimeConfiguration::new(t_end, StepControl::Fixed { dt }),
            IntegratorKind::Euler,
        )
    }

    fn make_mesh(n: usize) -> Box<dyn Mesh> {
        Box::new(UniformGrid1D::new(n, 0.0, 1.0).unwrap())
    }

    // ── Basic correctness ─────────────────────────────────────────────────────

    #[test]
    fn zero_derivative_field_stays_constant() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(5));
        let config = make_config(1.0, 0.1);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();
        // All saved states should be 2.5 everywhere
        for state in &result.states {
            let field = state.as_scalar_field().unwrap();
            for v in field.iter() {
                assert!((v - 2.5).abs() < 1e-12);
            }
        }
    }

    #[test]
    fn exponential_decay_euler_error_is_first_order() {
        // Euler approximation of du/dt = -u, u0=1 → u(t) = exp(-t)
        // At t=1: analytical = exp(-1) ≈ 0.3679
        // Euler with dt=0.1 should be close but not exact
        // UniformGrid1D requires >= 2 nodes — we use 2 and check node 0.
        let scenario = Scenario::single(Box::new(ExponentialDecay { lambda: 1.0 }), make_mesh(2));
        let config = make_config(1.0, 0.1);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();

        let final_state = result.states.last().unwrap().as_scalar_field().unwrap();
        let euler_val = final_state[0];
        let analytical = (-1.0_f64).exp();

        // Euler error should be small but non-zero
        let error = (euler_val - analytical).abs();
        assert!(error < 0.1, "error too large: {}", error);
        assert!(error > 1e-10, "error suspiciously small: {}", error);
    }

    #[test]
    fn result_times_match_expected_steps() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(3));
        let config = make_config(0.5, 0.1);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();

        // t=0.0 (initial) + 5 steps = 6 saved states
        assert_eq!(result.states.len(), result.times.len());
        assert!((result.times[0] - 0.0).abs() < 1e-12);
        assert!(result.t_final().unwrap() > 0.4);
    }

    #[test]
    fn n_steps_is_correct() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(2));
        let config = make_config(1.0, 0.25);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();
        assert_eq!(result.n_steps, 4);
    }

    #[test]
    fn save_every_reduces_stored_states() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(2));
        let config = SolverConfiguration::new(
            TimeConfiguration::new(1.0, StepControl::Fixed { dt: 0.1 }).saving_every(5),
            IntegratorKind::Euler,
        );
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();
        // 10 steps, save every 5 → 2 saves + initial = 3 states
        assert_eq!(result.states.len(), 3);
    }

    // ── Floating-point time accumulation (chrom-rs regression) ───────────────

    #[test]
    fn time_accumulation_drift_is_real_and_exceeds_old_tolerance_at_scale() {
        // Mathematically, t(n) = t(0) + n*dt is identical to adding dt to
        // itself n times. Computationally it is not: each `+=` rounds to
        // the nearest representable f64, and these roundings compound
        // rather than cancel. This test documents the magnitude of that
        // drift at a step count comparable to production runs (see the
        // module docs on `n_steps` above) — and confirms it is the reason
        // `ForwardEulerSolver`/`RK4Solver` compute `t` from the step index
        // rather than accumulating, as chrom-rs's RK4 also does.
        let dt = 0.1_f64;
        let n = 10_000;

        let mut accumulated = 0.0_f64;
        for _ in 0..n {
            accumulated += dt;
        }
        let direct = (n as f64) * dt;
        let drift = (accumulated - direct).abs();

        // The drift is real and measurable at this scale. If this
        // assertion ever fails because `drift` becomes 0, floating-point
        // semantics have changed and this test's rationale should be
        // re-examined, not silently relaxed.
        assert!(
            drift > 1e-12,
            "expected measurable drift at n={n} steps, got {drift:.3e}"
        );

        // ...and it exceeds the tolerance the old `while`-loop boundary
        // check relied on (`dt * 1e-10`) — this is precisely the scale at
        // which that loop could mis-count the total number of steps.
        let old_tolerance = dt * 1e-10;
        assert!(
            drift > old_tolerance,
            "drift {drift:.3e} should exceed the old boundary tolerance \
             {old_tolerance:.3e} at n={n} -- this is the scale where the \
             accumulating `while` loop became unsafe"
        );
    }

    #[test]
    fn step_count_and_final_time_are_exact_over_many_steps() {
        // Regression guard for the t_start + step*dt fix. At n=100_000
        // steps, raw accumulation drift measures ~1.9e-8 (see the
        // accompanying float-arithmetic test) -- comfortably above the
        // 1e-9 tolerance asserted here, and comfortably below what the
        // direct per-step computation actually produces (~1e-13). This
        // tolerance is deliberately tight enough to fail against the old
        // accumulating implementation and loose enough to pass against
        // the current one with margin.
        let dt = 0.1;
        let t_end = 10_000.0; // n_steps = 100_000
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(2));
        let config = make_config(t_end, dt);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();

        assert_eq!(result.n_steps, 100_000);

        let final_time = *result.times.last().unwrap();
        assert!(
            (final_time - t_end).abs() < 1e-9,
            "final time {final_time} drifted too far from t_end={t_end}"
        );
    }

    // ── Order verification (acceptance criterion, #41) ───────────────────────

    #[test]
    fn euler_error_halves_with_step_halving() {
        // First-order method: halving dt should roughly halve the error.
        let lambda: f64 = 1.0;
        let t_end: f64 = 1.0;
        let analytical = (-(lambda * t_end)).exp();

        let error_at = |dt: f64| -> f64 {
            let scenario = Scenario::single(Box::new(ExponentialDecay { lambda }), make_mesh(2));
            let config = make_config(t_end, dt);
            let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();
            let val = result.states.last().unwrap().as_scalar_field().unwrap()[0];
            (val - analytical).abs()
        };

        let error_coarse = error_at(0.01);
        let error_fine = error_at(0.005);
        let ratio = error_coarse / error_fine;

        // First-order convergence: ratio should be close to 2. Generous
        // tolerance since dt is finite, not in the asymptotic limit.
        assert!(
            (1.7..2.3).contains(&ratio),
            "expected ~2x error reduction on dt halving, got {:.3}x (coarse={:.2e}, fine={:.2e})",
            ratio,
            error_coarse,
            error_fine
        );
    }

    // ── SteppableSolver (DD-031) ──────────────────────────────────────────────

    #[test]
    fn step_matches_one_iteration_of_solve() {
        // `solve()` now calls `self.step()` internally -- this guards against
        // the two ever diverging if either is edited independently later.
        let scenario = Scenario::single(Box::new(ExponentialDecay { lambda: 0.7 }), make_mesh(3));
        let config = make_config(0.1, 0.1); // exactly one step

        let via_solve = ForwardEulerSolver.solve(&scenario, &config).unwrap();
        let final_via_solve = via_solve.states.last().unwrap().as_scalar_field().unwrap();

        let domain = scenario.single_domain().unwrap();
        let requirements = scenario.context_requirements();
        let chain =
            crate::solver::chain::build_calculator_chain(&requirements, &config.calculators)
                .unwrap();
        let mut u = domain.model.initial_state(domain.mesh.as_ref());
        let next = ForwardEulerSolver
            .step(domain, &chain, &mut u, &[], 0.0, 0.1)
            .unwrap();
        let final_via_step = next.as_scalar_field().unwrap();

        assert_eq!(final_via_solve.len(), final_via_step.len());
        for i in 0..final_via_solve.len() {
            assert!(
                (final_via_solve[i] - final_via_step[i]).abs() < 1e-15,
                "solve() and step() diverged at index {i}: {} vs {}",
                final_via_solve[i],
                final_via_step[i]
            );
        }
    }

    // ── Boundary conditions (fixed in #41 — see module docs) ─────────────────

    #[test]
    fn boundary_condition_is_applied_each_step() {
        use crate::boundary::{BoundaryCondition, BoundaryType};
        use crate::context::compute::ComputeContext;
        use crate::mesh::Mesh as MeshTrait;
        use crate::solver::scenario::Domain;

        /// Pins node 0 to a fixed value on every application — a minimal
        /// Dirichlet-style fixture, not a physically meaningful BC.
        #[derive(Debug)]
        struct PinFirstNode {
            value: f64,
        }

        impl RequiresContext for PinFirstNode {
            fn required_variables(&self) -> Vec<ContextVariable> {
                vec![]
            }
        }

        impl BoundaryCondition for PinFirstNode {
            fn boundary_type(&self) -> BoundaryType {
                BoundaryType::Dirichlet
            }

            fn apply(
                &self,
                state: &mut DVector<f64>,
                _ctx: &ComputeContext,
                _mesh: &dyn MeshTrait,
            ) -> Result<(), OxiflowError> {
                state[0] = self.value;
                Ok(())
            }
        }

        // ZeroDerivative leaves the field unchanged everywhere — any
        // deviation from its initial value of 2.5 at node 0 can only come
        // from the boundary condition.
        let domain = Domain::new("pinned", Box::new(ZeroDerivative), make_mesh(3))
            .with_boundary_conditions(vec![Box::new(PinFirstNode { value: -7.0 })]);
        let scenario = Scenario::multi(vec![domain]).unwrap();
        let config = make_config(0.3, 0.1);
        let result = ForwardEulerSolver.solve(&scenario, &config).unwrap();

        let final_state = result.states.last().unwrap().as_scalar_field().unwrap();
        assert!(
            (final_state[0] - (-7.0)).abs() < 1e-12,
            "boundary condition was not applied: node 0 = {}",
            final_state[0]
        );
        // Interior nodes are untouched by the BC and keep ZeroDerivative's value.
        assert!((final_state[1] - 2.5).abs() < 1e-12);
        assert!((final_state[2] - 2.5).abs() < 1e-12);
    }

    // ── Validation errors ─────────────────────────────────────────────────────

    #[test]
    fn negative_dt_returns_error() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(2));
        let config = make_config(1.0, -0.1);
        assert!(ForwardEulerSolver.solve(&scenario, &config).is_err());
    }

    #[test]
    fn t_end_before_t_start_returns_error() {
        let scenario = Scenario::single(Box::new(ZeroDerivative), make_mesh(2)).with_t_start(5.0);
        let config = make_config(1.0, 0.1);
        assert!(ForwardEulerSolver.solve(&scenario, &config).is_err());
    }

    #[test]
    fn missing_calculator_returns_error() {
        use crate::context::variable::ContextVariable;

        #[derive(Debug)]
        struct NeedsExternal;
        impl RequiresContext for NeedsExternal {
            fn required_variables(&self) -> Vec<ContextVariable> {
                vec![ContextVariable::External {
                    name: "missing".into(),
                }]
            }
        }
        impl PhysicalModel for NeedsExternal {
            fn compute_physics(
                &self,
                s: &ContextValue,
                _: &ComputeContext,
            ) -> Result<ContextValue, OxiflowError> {
                Ok(s.clone())
            }
            fn initial_state(&self, mesh: &dyn Mesh) -> ContextValue {
                ContextValue::ScalarField(DVector::from_element(mesh.n_dof(), 0.0))
            }
            fn name(&self) -> &str {
                "needs_external"
            }
        }

        let scenario = Scenario::single(Box::new(NeedsExternal), make_mesh(2));
        let config = make_config(1.0, 0.1);
        let err = ForwardEulerSolver.solve(&scenario, &config).unwrap_err();
        assert!(matches!(err, OxiflowError::MissingCalculator(_)));
    }

    // ── euler_step ────────────────────────────────────────────────────────────

    #[test]
    fn euler_step_computes_correctly() {
        let u = ContextValue::ScalarField(DVector::from_vec(vec![1.0, 2.0, 3.0]));
        let du = ContextValue::ScalarField(DVector::from_vec(vec![0.1, 0.2, 0.3]));
        let result = euler_step(&u, &du, 0.5).unwrap();
        let field = result.as_scalar_field().unwrap();
        assert!((field[0] - 1.05).abs() < 1e-12);
        assert!((field[1] - 2.10).abs() < 1e-12);
        assert!((field[2] - 3.15).abs() < 1e-12);
    }

    #[test]
    fn euler_step_mismatched_length_returns_error() {
        let u = ContextValue::ScalarField(DVector::from_element(3, 1.0));
        let du = ContextValue::ScalarField(DVector::from_element(2, 0.1));
        assert!(euler_step(&u, &du, 0.1).is_err());
    }
}