envelopes

src/analysis/envelope.jl

@@ -14,11 +14,39 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.
 
+"""
+$(TYPEDSIGNATURES)
+
+TODO
+"""
 function constraints_objective_envelope(
-    constraints::C.ConstraintTree,
-    grid::Array{C.ConstraintTreeElem},
-    objective::C.Value;
+    constraints::C.ConstraintTree;
+    dims...;
+    objective::C.Value,
+    optimizer,
+    settings = [],
     workers = D.workers(),
 )
-    #TODO
+    values = first.(dims)
+    ranges = last.(dims)
+
+    screen_optimization_model(
+        constraints,
+        Iterators.product(ranges...);
+        objective,
+        optimizer,
+        settings,
+        workers,
+    ) do om, coords
+        con_refs = [
+            begin
+                J.@constraint(om, con_ref, C.substitute(v, om[:x]) == x)
+                con_ref
+            end for (v, x) in zip(values, coords)
+        ]
+        J.optimize!(om)
+        res = is_solved(om) ? J.objective_value(om) : nothing
+        J.delete.(con_refs)
+        res
+    end
 end

src/analysis/screen.jl

@@ -33,11 +33,15 @@ function screen_optimization_model(
     args...;
     objective::Union{Nothing,C.Value} = nothing,
     optimizer,
+    settings = [],
     workers = D.workers(),
 )
-    # TODO maybe settings?
     worker_cache = worker_local_data(constraints) do c
-        (c, COBREXA.optimization_model(c; objective, optimizer))
+        om = COBREXA.optimization_model(c; objective, optimizer)
+        for s in settings
+            s(om)
+        end
+        om
     end
 
     D.pmap(

src/analysis/variability.jl

@@ -23,6 +23,7 @@ function constraints_variability(
     constraints::C.ConstraintTree,
     targets::C.ConstraintTree;
     optimizer,
+    settings = [],
     workers = D.workers(),
 )::C.Tree{Tuple{Maybe{Float64},Maybe{Float64}}}
 
@@ -33,12 +34,13 @@ function constraints_variability(
         constraints,
         target_array;
         optimizer,
+        settings,
         workers,
     ) do om, target
         J.@objective(om, Maximal, C.substitute(target, om[:x]))
         J.optimize!(om)
-        if_solved(om) ? J.objective_value(om) : nothing
+        is_solved(om) ? J.objective_value(om) : nothing
     end
 
-    constraint_tree_reinflate(targets, [(row[1], row[2]) for row in eachrow(result_array)])
+    constraint_tree_reinflate(targets, [tuple(a, b) for (a, b) in eachrow(result_array)])
 end