Add more unit and ci tests

.gitignore

@@ -141,3 +141,5 @@ reference/
 
 # Example results
 examples/*/config/
+test/example_init_shot/*/
+test/example_init_shot/data.out

test/example_init_shot/parameter_output_1.yaml

@@ -0,0 +1,14 @@
+
+iters: 20
+
+optimiser: random
+
+parameters:
+  Young2: [20, 10, 30]
+
+output_parameters:
+  Young: Young2*10
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/example_init_shot/parameter_output_2.yaml

@@ -0,0 +1,16 @@
+
+iters: 20
+
+optimiser: random
+
+parameters:
+  Young2: [20, 10, 30]
+
+output_parameters:
+  Young: Young2*10
+
+init_shot_from: parameter_output_1.yaml
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/example_init_shot/parameter_output_3.yaml

@@ -0,0 +1,20 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: ucb
+  beta: 0.9
+  n_test: 2
+  export: data.out
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2
+

test/example_init_shot/parameter_output_4.yaml

@@ -0,0 +1,20 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: ucb
+  beta: 0.9
+  n_test: 2
+  load_file: data.out
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2
+

test/examples/bo_1call_ei.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: ei
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_kg.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: kg
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_pi.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: pi
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_qei.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: qei
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_qkg.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: qkg
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_qpi.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: qpi
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/bo_1call_qucb.yaml

@@ -0,0 +1,18 @@
+
+iters: 2
+max_func_calls: 0
+
+optimiser:
+  name: botorch
+  acquisition: qucb
+  beta: 0.9
+  n_test: 2
+
+
+parameters:
+  Young: [200, 100, 300]
+
+
+objective:
+  name: analytical
+  expression: (Young-150)**2

test/examples/design_integral.yaml

@@ -0,0 +1,26 @@
+
+iters: 10
+
+optimiser: random
+
+
+parameters:
+  a: [2, 0.5, 4]
+
+
+
+objective:
+  name: design
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  targets:
+    'integral_quantity':
+      quantity: integral
+      prediction: ['case_1']
+      negate: False

test/examples/design_missing_quantity_script.yaml

@@ -0,0 +1,29 @@
+
+iters: 10
+
+optimiser: random
+
+
+parameters:
+  a: [2, 0.5, 4]
+
+
+
+objective:
+  name: design
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  targets:
+    'script_quantity':
+      quantity:
+        name: script
+        script: min_script.py # Path to the script
+        class: MinQuantity # Class name (must be derived from Quantity)
+      prediction: ['case_1']
+      negate: True

test/examples/dummy_composite_ei.yaml

@@ -0,0 +1,27 @@
+
+iters: 10
+
+optimiser:
+  name: botorch
+  acquisition: ei
+
+
+parameters:
+  a: [0, -4, 4]
+
+
+
+objective:
+  name: fitting
+  composite: True
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  references:
+    'reference_curve.txt':
+      prediction: ['case_1']

test/examples/dummy_composite_pi.yaml

@@ -0,0 +1,27 @@
+
+iters: 10
+
+optimiser:
+  name: botorch
+  acquisition: pi
+
+
+parameters:
+  a: [0, -4, 4]
+
+
+
+objective:
+  name: fitting
+  composite: True
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  references:
+    'reference_curve.txt':
+      prediction: ['case_1']

test/examples/dummy_design_pred_str.yaml

@@ -0,0 +1,26 @@
+
+iters: 10
+
+optimiser: random
+
+
+parameters:
+  a: [2, 0.5, 4]
+
+
+
+objective:
+  name: design
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  targets:
+    'maximum_force':
+      quantity: max
+      prediction: case_1
+      negate: False

test/examples/dummy_simple_pred_str.yaml

@@ -0,0 +1,25 @@
+
+iters: 10
+
+optimiser: random
+
+
+parameters:
+  a: [0, -4, 4]
+
+
+
+objective:
+  name: fitting
+  composite: False
+  solver:
+    name: curve
+    cases:
+      'case_1':
+        expression: <a> * x ** 2
+        parametric: x
+        bounds: [-5, 5]
+        points: 100
+  references:
+    'reference_curve.txt':
+      prediction: case_1