Merge pull request pybamm-team#3835 from pybamm-team/issue-3530-custo…

…m-step refactor experiment steps to allow customization by user
weilongai · Mar 26, 2024 · cba763a · cba763a
2 parents b17611e + 3670294
commit cba763a
Show file tree

Hide file tree

Showing 19 changed files with 1,046 additions and 550 deletions.
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -2,6 +2,7 @@
 
 ## Features
 
+- Added custom experiment steps ([#3835](https://github.com/pybamm-team/PyBaMM/pull/3835))
 - Added support for macOS arm64 (M-series) platforms. ([#3789](https://github.com/pybamm-team/PyBaMM/pull/3789))
 - Added the ability to specify a custom solver tolerance in `get_initial_stoichiometries` and related functions ([#3714](https://github.com/pybamm-team/PyBaMM/pull/3714))
 - Modified `step` function to take an array of time `t_eval` as an argument and deprecated use of `npts`. ([#3627](https://github.com/pybamm-team/PyBaMM/pull/3627))

diff --git a/benchmarks/different_model_options.py b/benchmarks/different_model_options.py
@@ -5,13 +5,13 @@
 
 def compute_discretisation(model, param):
     var_pts = {
-        pybamm.standard_spatial_vars.x_n: 20,
-        pybamm.standard_spatial_vars.x_s: 20,
-        pybamm.standard_spatial_vars.x_p: 20,
-        pybamm.standard_spatial_vars.r_n: 30,
-        pybamm.standard_spatial_vars.r_p: 30,
-        pybamm.standard_spatial_vars.y: 10,
-        pybamm.standard_spatial_vars.z: 10,
+        "x_n": 20,
+        "x_s": 20,
+        "x_p": 20,
+        "r_n": 30,
+        "r_p": 30,
+        "y": 10,
+        "z": 10,
     }
     geometry = model.default_geometry
     param.process_geometry(geometry)

diff --git a/docs/source/api/experiment/experiment_steps.rst b/docs/source/api/experiment/experiment_steps.rst
@@ -16,7 +16,18 @@ The following functions can be used to define steps in an experiment. Note that
 These functions return the following step class, which is not intended to be used
 directly:
 
-.. autoclass:: pybamm.step._Step
+.. autoclass:: pybamm.step.BaseStep
+    :members:
+
+Custom steps
+------------
+
+Custom steps can be defined using either explicit or implicit control:
+
+.. autoclass:: pybamm.step.CustomStepExplicit
+    :members:
+
+.. autoclass:: pybamm.step.CustomStepImplicit
     :members:
 
 Step terminations

diff --git a/docs/source/examples/notebooks/models/loss_of_active_materials.ipynb b/docs/source/examples/notebooks/models/loss_of_active_materials.ipynb
@@ -22,13 +22,18 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "\u001b[33mWARNING: pybamm 23.5 does not provide the extra 'cite'\u001b[0m\u001b[33m\n",
-      "\u001b[0m\u001b[33mWARNING: pybamm 23.5 does not provide the extra 'plot'\u001b[0m\u001b[33m\n",
-      "\u001b[0m\n",
-      "\u001b[1m[\u001b[0m\u001b[34;49mnotice\u001b[0m\u001b[1;39;49m]\u001b[0m\u001b[39;49m A new release of pip is available: \u001b[0m\u001b[31;49m23.0.1\u001b[0m\u001b[39;49m -> \u001b[0m\u001b[32;49m23.2.1\u001b[0m\n",
-      "\u001b[1m[\u001b[0m\u001b[34;49mnotice\u001b[0m\u001b[1;39;49m]\u001b[0m\u001b[39;49m To update, run: \u001b[0m\u001b[32;49mpip install --upgrade pip\u001b[0m\n",
       "Note: you may need to restart the kernel to use updated packages.\n"
      ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3387 and h = 7.05477e-15, the corrector convergence failed repeatedly or with |h| = hmin.\n",
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n"
+     ]
     }
    ],
    "source": [
@@ -46,21 +51,18 @@
     "param = pybamm.ParameterValues(\"Ai2020\")\n",
     "param.update({\"Negative electrode LAM constant proportional term [s-1]\": 1e-4 / 3600})\n",
     "param.update({\"Positive electrode LAM constant proportional term [s-1]\": 1e-4 / 3600})\n",
-    "total_cycles = 2\n",
     "experiment = pybamm.Experiment(\n",
     "    [\n",
     "        \"Discharge at 1C until 3 V\",\n",
     "        \"Rest for 600 seconds\",\n",
     "        \"Charge at 1C until 4.2 V\",\n",
     "        \"Hold at 4.199 V for 600 seconds\",\n",
     "    ]\n",
-    "    * total_cycles\n",
     ")\n",
     "sim = pybamm.Simulation(\n",
     "    model,\n",
     "    experiment=experiment,\n",
     "    parameter_values=param,\n",
-    "    solver=pybamm.CasadiSolver(\"fast with events\"),\n",
     ")\n",
     "solution = sim.solve(calc_esoh=False)"
    ]
@@ -80,12 +82,12 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "3558ac2f7db145baadec9a28e236483e",
+       "model_id": "d3d8dcb00eb7421a83a4655bfd8e1245",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
-       "interactive(children=(FloatSlider(value=0.0, description='t', max=4.5113500706445695, step=0.04511350070644569…"
+       "interactive(children=(FloatSlider(value=0.0, description='t', max=2.329196798170269, step=0.02329196798170269)…"
       ]
      },
      "metadata": {},
@@ -94,7 +96,7 @@
     {
      "data": {
       "text/plain": [
-       "<pybamm.plotting.quick_plot.QuickPlot at 0x7f91cc5d2d00>"
+       "<pybamm.plotting.quick_plot.QuickPlot at 0x169320050>"
       ]
      },
      "execution_count": 2,
@@ -129,15 +131,33 @@
    "execution_count": 3,
    "metadata": {},
    "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3387 and h = 7.05477e-15, the corrector convergence failed repeatedly or with |h| = hmin.\n",
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3387, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3307, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3307, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3307, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.3307, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.2504, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.2504, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.2504, , mxstep steps taken before reaching tout.\n",
+      "At t = 57.2504, , mxstep steps taken before reaching tout.\n"
+     ]
+    },
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "9ff0e45a0c8c47b2b8d21da91b6110c1",
+       "model_id": "6e6d0630770b475893301455ac4910c7",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
-       "interactive(children=(FloatSlider(value=0.0, description='t', max=4.5113500706445695, step=0.04511350070644569…"
+       "interactive(children=(FloatSlider(value=0.0, description='t', max=2.329196798170269, step=0.02329196798170269)…"
       ]
      },
      "metadata": {},
@@ -146,7 +166,7 @@
     {
      "data": {
       "text/plain": [
-       "<pybamm.plotting.quick_plot.QuickPlot at 0x7f9179084910>"
+       "<pybamm.plotting.quick_plot.QuickPlot at 0x175c86c10>"
       ]
      },
      "execution_count": 3,
@@ -166,7 +186,6 @@
     "        model,\n",
     "        experiment=experiment,\n",
     "        parameter_values=param,\n",
-    "        solver=pybamm.CasadiSolver(\"fast with events\"),\n",
     "    )\n",
     "    solution = sim.solve(calc_esoh=False)\n",
     "    solutions.append(solution)\n",
@@ -204,12 +223,12 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "53f5eacbb94b4ae29acee57db4bf7785",
+       "model_id": "979c0f154595488da4fab0bd7cd66565",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
-       "interactive(children=(FloatSlider(value=0.0, description='t', max=3.5075529064499813, step=0.03507552906449981…"
+       "interactive(children=(FloatSlider(value=0.0, description='t', max=1.8531299069255607, step=0.01853129906925560…"
       ]
      },
      "metadata": {},
@@ -218,7 +237,7 @@
     {
      "data": {
       "text/plain": [
-       "<pybamm.plotting.quick_plot.QuickPlot at 0x7f91cc77d9a0>"
+       "<pybamm.plotting.quick_plot.QuickPlot at 0x2846e3b90>"
       ]
      },
      "execution_count": 4,
@@ -234,21 +253,7 @@
     "    }\n",
     ")\n",
     "param = pybamm.ParameterValues(\"Chen2020\")\n",
-    "param.update(\n",
-    "    {\n",
-    "        \"Negative electrode reaction-driven LAM factor [m3.mol-1]\": 1e-3,\n",
-    "    }\n",
-    ")\n",
-    "total_cycles = 2\n",
-    "experiment = pybamm.Experiment(\n",
-    "    [\n",
-    "        \"Discharge at 1C until 3 V\",\n",
-    "        \"Rest for 600 seconds\",\n",
-    "        \"Charge at 1C until 4.2 V\",\n",
-    "        \"Hold at 4.199 V for 600 seconds\",\n",
-    "    ]\n",
-    "    * total_cycles\n",
-    ")\n",
+    "param.update({\"Negative electrode reaction-driven LAM factor [m3.mol-1]\": 1e-3})\n",
     "sim = pybamm.Simulation(\n",
     "    model,\n",
     "    experiment=experiment,\n",
@@ -293,12 +298,12 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "15acf6373f874463ba95de522d12fc89",
+       "model_id": "42f77d86732043a795b8c3264fd755bc",
        "version_major": 2,
        "version_minor": 0
       },
       "text/plain": [
-       "interactive(children=(FloatSlider(value=0.0, description='t', max=3.4962610293431426, step=0.03496261029343142…"
+       "interactive(children=(FloatSlider(value=0.0, description='t', max=1.8506642114311478, step=0.01850664211431147…"
       ]
      },
      "metadata": {},
@@ -307,7 +312,7 @@
     {
      "data": {
       "text/plain": [
-       "<pybamm.plotting.quick_plot.QuickPlot at 0x7f9170283dc0>"
+       "<pybamm.plotting.quick_plot.QuickPlot at 0x2852402d0>"
       ]
      },
      "execution_count": 5,
@@ -333,16 +338,6 @@
     "    },\n",
     "    check_already_exists=False,\n",
     ")\n",
-    "total_cycles = 2\n",
-    "experiment = pybamm.Experiment(\n",
-    "    [\n",
-    "        \"Discharge at 1C until 3 V\",\n",
-    "        \"Rest for 600 seconds\",\n",
-    "        \"Charge at 1C until 4.2 V\",\n",
-    "        \"Hold at 4.199 V for 600 seconds\",\n",
-    "    ]\n",
-    "    * total_cycles\n",
-    ")\n",
     "sim = pybamm.Simulation(\n",
     "    model,\n",
     "    experiment=experiment,\n",
@@ -395,6 +390,13 @@
    "source": [
     "pybamm.print_citations()"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {

diff --git a/docs/source/examples/notebooks/simulations_and_experiments/custom-experiments.ipynb b/docs/source/examples/notebooks/simulations_and_experiments/custom-experiments.ipynb