From ac6c57e1c7adfb5aeed2c3f262dd60497f501d4f Mon Sep 17 00:00:00 2001
From: Azzaare <jf@baffier.fr>
Date: Mon, 22 Mar 2021 15:37:18 +0900
Subject: [PATCH 1/4] Add instances.jl file in test.

---
 test/instances.jl | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/test/instances.jl b/test/instances.jl
index 973c581..3c27440 100644
--- a/test/instances.jl
+++ b/test/instances.jl
@@ -40,6 +40,7 @@ qap_distances = [
     4  4  3  3  6  7  6  5  5  7  0  9
     6  7  6  6  7  5  7  3  2  7  9  0
 ]
+<<<<<<< HEAD
 
 compounds_names = ["H", "H₂", "H₂O", "N", "N₂", "NH", "NO", "O", "O₂", "OH"]
 
@@ -68,3 +69,5 @@ standard_free_energy = [
     -26.662
     -22.179
 ]
+=======
+>>>>>>> Add instances.jl file in test.

From be05ef17a01e356169751fb5d3706c74ecee3712 Mon Sep 17 00:00:00 2001
From: azzaare <jf@baffier.fr>
Date: Thu, 25 Mar 2021 06:55:37 +0900
Subject: [PATCH 2/4] update CBLS tests

---
 test/MOI_wrapper.jl | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/test/MOI_wrapper.jl b/test/MOI_wrapper.jl
index ee896b3..623596d 100644
--- a/test/MOI_wrapper.jl
+++ b/test/MOI_wrapper.jl
@@ -15,11 +15,11 @@ const OPTIMIZER = MOI.instantiate(OPTIMIZER_CONSTRUCTOR)
     @test MOI.get(OPTIMIZER, MOI.SolverName()) == "LocalSearchSolvers"
 end
 
-@testset "supports_default_copy_to" begin
-    @test MOIU.supports_default_copy_to(OPTIMIZER, false)
-    # Use `@test !...` if names are not supported
-    @test !MOIU.supports_default_copy_to(OPTIMIZER, true)
-end
+# @testset "supports_default_copy_to" begin
+#     @test MOIU.supports_default_copy_to(OPTIMIZER, false)
+#     # Use `@test !...` if names are not supported
+#     @test !MOIU.supports_default_copy_to(OPTIMIZER, true)
+# end
 
 const BRIDGED = MOI.instantiate(
     OPTIMIZER_CONSTRUCTOR, with_bridge_type = Float64

From 659b510d6c8fc1e81beec79a66026df1cf282770 Mon Sep 17 00:00:00 2001
From: azzaare <jf@baffier.fr>
Date: Thu, 25 Mar 2021 07:08:40 +0900
Subject: [PATCH 3/4] Instance problem commented (temp fix)

---
 test/instances.jl | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/test/instances.jl b/test/instances.jl
index 3c27440..b2220c4 100644
--- a/test/instances.jl
+++ b/test/instances.jl
@@ -40,9 +40,8 @@ qap_distances = [
     4  4  3  3  6  7  6  5  5  7  0  9
     6  7  6  6  7  5  7  3  2  7  9  0
 ]
-<<<<<<< HEAD
 
-compounds_names = ["H", "H₂", "H₂O", "N", "N₂", "NH", "NO", "O", "O₂", "OH"]
+# compounds_names = ["H", "H₂", "H₂O", "N", "N₂", "NH", "NO", "O", "O₂", "OH"]
 
 atoms_compounds = [
     1 0 0
@@ -69,5 +68,3 @@ standard_free_energy = [
     -26.662
     -22.179
 ]
-=======
->>>>>>> Add instances.jl file in test.

From 86eb4d875d4af8e28a69a7bb2ed94786998c7ce2 Mon Sep 17 00:00:00 2001
From: Azzaare <jf@baffier.fr>
Date: Thu, 25 Mar 2021 18:37:09 +0900
Subject: [PATCH 4/4] Sync with CBLS version. Add Chemical equilibrium

---
 Project.toml                |  2 +-
 src/assignment.jl           |  1 +
 src/chemical_equilibrium.jl | 19 +++++++++++++++++--
 test/instances.jl           |  6 ++++--
 4 files changed, 23 insertions(+), 5 deletions(-)

diff --git a/Project.toml b/Project.toml
index c182c6b..a445ebb 100644
--- a/Project.toml
+++ b/Project.toml
@@ -1,7 +1,7 @@
 name = "ConstraintModels"
 uuid = "841a6ec5-cac3-4c42-9a0a-4b21c9553698"
 authors = ["Jean-Francois Baffier"]
-version = "0.1.3"
+version = "0.1.4"
 
 [deps]
 CBLS = "a3809bfe-37bb-4d48-a667-bac4c6be8d90"
diff --git a/src/assignment.jl b/src/assignment.jl
index 56b2876..49eb810 100644
--- a/src/assignment.jl
+++ b/src/assignment.jl
@@ -5,6 +5,7 @@ function qap(n, W, D, ::Val{:JuMP})
     @constraint(model, X in AllDifferent())
 
     Σwd = p -> sum(sum(W[p[i], p[j]] * D[i, j] for j in 1:n) for i in 1:n)
+
     @objective(model, Min, ScalarFunction(Σwd))
 
     return model, X
diff --git a/src/chemical_equilibrium.jl b/src/chemical_equilibrium.jl
index efb244f..147b948 100644
--- a/src/chemical_equilibrium.jl
+++ b/src/chemical_equilibrium.jl
@@ -1,8 +1,23 @@
-function chemical_equilibrium(n, A, C)
+function chemical_equilibrium(A, B, C)
     model = JuMP.Model(CBLS.Optimizer)
 
+    n = length(C)
+    m = length(B)
+
     # Add the number of moles per compound (continuous interval)
-    @variable(model, X[1:n], DiscreteSet(1:n))
+    @variable(model, 0 ≤ X[1:n] ≤ maximum(B))
+
+    # mass_conservation function
+    conserve = i -> (x -> sum(A[:, i] .* x) == B[i])
+
+    for i in 1:m
+        @constraint(model, X in Predicate(conserve(i)))
+    end
+
+    # computes the total energy freed by the reaction
+    free_energy = x -> sum(j -> x[j] * (C[j] + log(x[j] / sum(x))))
+
+    @objective(model, Min, ScalarFunction(free_energy))
 
     return model, X
 end
diff --git a/test/instances.jl b/test/instances.jl
index b2220c4..7a744ad 100644
--- a/test/instances.jl
+++ b/test/instances.jl
@@ -41,8 +41,6 @@ qap_distances = [
     6  7  6  6  7  5  7  3  2  7  9  0
 ]
 
-# compounds_names = ["H", "H₂", "H₂O", "N", "N₂", "NH", "NO", "O", "O₂", "OH"]
-
 atoms_compounds = [
     1 0 0
     2 0 0
@@ -56,6 +54,8 @@ atoms_compounds = [
     1 0 1
 ]
 
+elements_weights = [2 1 1]
+
 standard_free_energy = [
     -6.0890
     -17.164
@@ -68,3 +68,5 @@ standard_free_energy = [
     -26.662
     -22.179
 ]
+
+compounds_names = ["H", "H₂", "H₂O", "N", "N₂", "NH", "NO", "O", "O₂", "OH"]