diff --git a/Project.toml b/Project.toml
index 975ef333..5b4511fb 100644
--- a/Project.toml
+++ b/Project.toml
@@ -1,7 +1,7 @@
name = "COBREXA"
uuid = "babc4406-5200-4a30-9033-bf5ae714c842"
authors = ["The developers of COBREXA.jl"]
-version = "2.6.1"
+version = "2.7.0"
[deps]
AbstractFBCModels = "5a4f3dfa-1789-40f8-8221-69268c29937c"
@@ -34,6 +34,7 @@ julia = "1.5"
[extras]
Aqua = "4c88cf16-eb10-579e-8560-4a9242c79595"
+CSV = "336ed68f-0bac-5ca0-87d4-7b16caf5d00b"
Clarabel = "61c947e1-3e6d-4ee4-985a-eec8c727bd6e"
Downloads = "f43a241f-c20a-4ad4-852c-f6b1247861c6"
HiGHS = "87dc4568-4c63-4d18-b0c0-bb2238e4078b"
@@ -44,4 +45,4 @@ Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
Tulip = "6dd1b50a-3aae-11e9-10b5-ef983d2400fa"
[targets]
-test = ["Aqua", "Clarabel", "Downloads", "HiGHS", "JSONFBCModels", "SBMLFBCModels", "SHA", "Test", "Tulip"]
+test = ["Aqua", "CSV", "Clarabel", "Downloads", "HiGHS", "JSONFBCModels", "SBMLFBCModels", "SHA", "Test", "Tulip"]
diff --git a/docs/Project.toml b/docs/Project.toml
index 21355a32..fd6f99d9 100644
--- a/docs/Project.toml
+++ b/docs/Project.toml
@@ -1,6 +1,7 @@
[deps]
AbstractFBCModels = "5a4f3dfa-1789-40f8-8221-69268c29937c"
COBREXA = "babc4406-5200-4a30-9033-bf5ae714c842"
+CSV = "336ed68f-0bac-5ca0-87d4-7b16caf5d00b"
Clarabel = "61c947e1-3e6d-4ee4-985a-eec8c727bd6e"
ConstraintTrees = "5515826b-29c3-47a5-8849-8513ac836620"
Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
diff --git a/docs/src/examples/07a-srba.jl b/docs/src/examples/07a-srba.jl
new file mode 100644
index 00000000..be79ba38
--- /dev/null
+++ b/docs/src/examples/07a-srba.jl
@@ -0,0 +1,364 @@
+
+# Copyright (c) 2021-2024, University of Luxembourg #src
+# Copyright (c) 2021-2024, Heinrich-Heine University Duesseldorf #src
+# #src
+# Licensed under the Apache License, Version 2.0 (the "License"); #src
+# you may not use this file except in compliance with the License. #src
+# You may obtain a copy of the License at #src
+# #src
+# http://www.apache.org/licenses/LICENSE-2.0 #src
+# #src
+# Unless required by applicable law or agreed to in writing, software #src
+# distributed under the License is distributed on an "AS IS" BASIS, #src
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. #src
+# See the License for the specific language governing permissions and #src
+# limitations under the License. #src
+
+# # Simplified resource balance analysis
+#
+# Resource balance analysis (RBA) models are extensions of enzyme constrained
+# models that additionally incorporate other cellular mechanisms, such as
+# translation, transcription and replication. This requires much more
+# mechanistic knowledge about the processes, but also dramatically improves the
+# predictive capability of the model.
+#
+# Here we demonstrate the approach for building such extensions with COBREXA,
+# over a demonstrational simplified RBA model that accounts for the major
+# translation costs (synthesis of proteins and ribosomes).
+#
+# For comprehensiveness, we use the full genome-scale model of E. coli
+# (iML1515):
+
+using COBREXA
+
+download_model(
+ "http://bigg.ucsd.edu/static/models/iML1515.json",
+ "iML1515.json",
+ "b0f9199f048779bb08a14dfa6c09ec56d35b8750d2f99681980d0f098355fbf5",
+)
+
+# We use several packages as usual; additionally we import `ConstraintTrees`
+# for later modifications.
+
+import AbstractFBCModels as A
+import JSONFBCModels
+import HiGHS
+import ConstraintTrees as C
+
+# ## Data and parameters for the RBA model
+#
+# For the purposes of this example, COBREXA comes with example data for the
+# whole iML1515 model, aggregated from several publications and databases. In
+# this section we simply load the data into suitable Julia structures. Other
+# data formats may work just as well.
+#
+# The loading is hidden by default for brevity:
+#
+#md # ```@raw html
+#md # Loading the RBA model parameters
+#md # ```
+
+import CSV
+
+data_dir = joinpath(dirname(pathof(COBREXA)), "..", "docs", "src", "examples", "data");
+
+e_coli_gp_mass = Dict{String,Float64}(
+ x.gene_product => x.mass for
+ x in CSV.File(joinpath(data_dir, "e_coli_gp_mass.tsv"), delim = '\t')
+);
+
+kcat_scale = 3600 / 1e3;
+e_coli_rxn_kcat_isozyme = Dict{String,Isozyme}(
+ x.reaction => Isozyme(
+ kcat_forward = x.kcat * kcat_scale,
+ kcat_reverse = x.kcat * kcat_scale,
+ gene_product_stoichiometry = Dict(),
+ ) for x in CSV.File(joinpath(data_dir, "e_coli_reaction_kcat.tsv"), delim = '\t')
+);
+
+e_coli_rxn_isozymes = Dict{String,Dict{String,Isozyme}}();
+for x in CSV.File(joinpath(data_dir, "e_coli_isozyme_gp.tsv"), delim = '\t')
+ haskey(e_coli_rxn_kcat_isozyme, x.reaction) || continue
+ rxn = get!(e_coli_rxn_isozymes, x.reaction, Dict{String,Isozyme}())
+ iso = get!(rxn, x.isozyme, deepcopy(e_coli_rxn_kcat_isozyme[x.reaction]))
+ iso.gene_product_stoichiometry[x.gene_product] = x.stoichiometry
+end;
+
+e_coli_gp_aas = Dict{String,Dict{Symbol,Int}}(
+ begin
+ d = Dict(keys(x) .=> values(x))
+ gp = d[:gene_product]
+ delete!(d, :gene_product)
+ gp => d
+ end for x in CSV.File(joinpath(data_dir, "e_coli_gp_aa.tsv"), delim = '\t')
+);
+
+amino_acids = Set(Symbol(aa) for (k, v) in e_coli_gp_aas for (aa, _) in v);
+
+#md # ```@raw html
+#md #
+#md # ```
+#
+# In the end, we have gene product weight data (just like in the [enzyme-constrained model example](05b-enzyme-constrained-models.md)):
+
+e_coli_gp_mass
+
+# ... as well as isozyme data with kcats:
+
+e_coli_rxn_isozymes
+
+# We additionally need a list of amino acids in the model:
+
+amino_acids
+
+# ...together with a list of how much amino acids there are in which gene product:
+
+e_coli_gp_aas
+
+# To make the RBA problem working, we also need to assume some constant parameters (many of such can be found via https://bionumbers.hms.harvard.edu):
+
+atp_polymerization_cost = 0.042;
+protein_polymerization_atp_per_gDW = 12.0;
+ribosome_speed_aa_per_hour = 12.0 * 3600;
+ribosome_molar_mass = 2700.0;
+
+# We also need a stoichiometry for "energy consumption" reaction, which we will
+# use to simulate the energy cost of translation:
+energy_stoichiometry = Dict(:atp_c => -1, :h2o_c => -1, :adp_c => 1, :h_c => 1, :pi_c => 1)
+
+# ## Model assembly
+# ### Enzyme-constrained base model
+#
+# First, we load the model in a format that is suitable for doing small
+# changes:
+model = load_model("iML1515.json")
+
+# We will require some access to the stoichiometry of the biomass reaction (in
+# essence, we copy a part of it, but replace the part that uses amino acids as
+# a building material, and slightly enhance the energy consumption part). So we
+# save it here:
+biomass = Dict(
+ Symbol(k) => v for
+ (k, v) in A.reaction_stoichiometry(model, "BIOMASS_Ec_iML1515_core_75p37M")
+)
+
+# We can create the enzyme-constrained model for iML1515. This will be extended
+# later.
+ec_constraints = enzyme_constrained_flux_balance_constraints(
+ model;
+ reaction_isozymes = e_coli_rxn_isozymes,
+ gene_product_molar_masses = e_coli_gp_mass,
+ capacity = 550.0,
+)
+
+# Before we continue, we apply a small quirk to remove an artificial limit on
+# the glucose intake. (The limit is required to prevent "infinite" growth in
+# simplistic FBA-style analysis; in our case the enzyme capacity serves as a
+# sufficient and more realistic limiter. We have to unblock both the
+# bidirectional reaction and the "reversed" view, since both carry the bound.)
+ec_constraints.fluxes.EX_glc__D_e.bound.lower = -1000;
+ec_constraints.fluxes_reverse.EX_glc__D_e.bound.upper = 1000;
+
+# To avoid the model from growing in unexpected modes, we will constraint the
+# original biomass reaction to zero:
+ec_constraints.fluxes.BIOMASS_Ec_iML1515_core_75p37M.bound = C.EqualTo(0);
+ec_constraints.fluxes.BIOMASS_Ec_iML1515_WT_75p37M.bound = C.EqualTo(0);
+
+# ### RBA translation machinery
+
+# A common issue with RBA formulations is that the biomass-based growth formula
+# depends on a determined optimal composition of the enzyme pool and actual
+# production of metabolites; which makes the underlying constrained problem
+# quadratic.
+#
+# A common way to dodge the need for quadratic solvers is to solve the problem
+# for a fixed growth rate, which we is the approach that we choose here.
+# Alternatively, one might state the full quadratic problem and solve it, with
+# some performance cost stemming from use of QP solvers.
+#
+# Let's first make a utility function that prepares the connection to the
+# metabolite pool, and adds several useful variables atop a given
+# enzyme-constrained model:
+function with_translation_variables(ec_constraints::C.ConstraintTree)
+ #+
+ # Create a "resource pool" and connect it to the stoichiometry of the
+ # intracellular (and other) metabolites. (This effectively creates new
+ # exchange reactions in `ec_constraints`.)
+ resources = C.variables(
+ keys = Symbol.(
+ collect(union(amino_acids, keys(energy_stoichiometry), keys(biomass)))
+ ),
+ )
+ (cs, rs) =
+ inject_interface(ec_constraints, :flux_stoichiometry^resources, multiplier = -1)
+ #+
+ # Also add a single new variable for the production of ribosomes by
+ # ribosomes.
+ return cs * :resources^rs.flux_stoichiometry +
+ :ribosome_production^C.variable(; bound = (0, Inf))
+end
+
+# To make the construction nicer, we'll make a helper for summing up
+# constraint-tree values:
+sum_values(x...) = C.sum(x..., init = zero(C.LinearValue));
+
+# ...and another helper for adding values in constraint trees together:
+add_trees(ts...) =
+ C.preduce(ts, init = C.ConstraintTree()) do t1, t2
+ z(::Missing) = zero(C.LinearValue)
+ z(x) = C.value(x)
+ return C.merge(t1, t2) do c1, c2
+ C.Constraint(z(c1) + z(c2))
+ end
+ end;
+
+# Since we have to solve the problem for multiple growth rates to be able to
+# scan for optimum, we will wrap the growth-dependent part in a reusable
+# function:
+function translation_constraints(
+ resources::C.ConstraintTree,
+ ribos_required_for_ribos::C.Constraint,
+ gene_product_amounts::C.ConstraintTree,
+ growth::Float64,
+)
+ #+
+ # First we can calculate how much amino acids we need to build the expected
+ # amount of gene products:
+ aas_required_for_gps = C.imap(gene_product_amounts) do (i,), gp
+ C.ConstraintTree(
+ aa => C.Constraint(gp.value * v * growth * 0.001) for
+ (aa, v) in e_coli_gp_aas[String(i)]
+ )
+ end
+ #+
+ # This allows us to calculate how much ribosome we have to produce to make
+ # the production of all of the above enzymes possible:
+ ribo_required_for_gps = C.ConstraintTree(
+ i => C.Constraint(
+ sum_values(aa.value for (_, aa) in aas) / ribosome_speed_aa_per_hour,
+ ) for (i, aas) in aas_required_for_gps
+ )
+ #+
+ # Now we know the total amount of ribosome to produce (both for the above
+ # protein production and for production of ribosomes itself) so we can see
+ # how much amino acids in total are required for production of ribosomes:
+ total_ribos_required =
+ ribos_required_for_ribos.value +
+ sum_values(c.value for (_, c) in ribo_required_for_gps)
+ aas_required_for_ribos = C.ConstraintTree(
+ aa => C.Constraint(total_ribos_required * v) for
+ (aa, v) in e_coli_gp_aas["ribosome"]
+ )
+ #+
+ # Now we solve a "rocket equation" -- the ribosomes need to produce both
+ # the protein-producing ribosomes and themselves, so we add a constraint
+ # that ensures there's enough ribosomes for both.
+ ribosome_balance_constraint = equal_value_constraint(
+ sum_values(aa.value for (_, aa) in aas_required_for_ribos),
+ ribos_required_for_ribos.value * ribosome_speed_aa_per_hour,
+ )
+ #+
+ # With the AA requirements solved, we can estimate how much energy we need
+ # for polymerization of the proteins and ribosomes:
+ energy_required =
+ atp_polymerization_cost *
+ sum_values(aa.value for (_, aas) in aas_required_for_gps for (_, aa) in aas) +
+ sum_values(v.value for (_, v) in aas_required_for_ribos)
+ #+
+ # With all that in hand, we can put together the final resource consumption:
+ resource_consumption = add_trees(
+ C.values(aas_required_for_gps)...,
+ aas_required_for_ribos,
+ C.map(stoi -> -stoi * energy_required, C.Tree{Int}(energy_stoichiometry), C.Value),
+ )
+ #+
+ # ...and make a stoichiometry out of that, with exact cases for amino acids
+ # (these are completely replaced in the original biomass), energy
+ # metabolites (these are partially re-used from the original biomass, but
+ # with an adjustment that tries to remove the polymerization cost portion
+ # in the original model), and everything other scaled for growth:
+ resource_stoichiometry = C.imap(resources) do (resource,), input
+ if resource in amino_acids # AA case
+ equal_value_constraint(resource_consumption[resource], input)
+ elseif resource in keys(energy_stoichiometry) # energy case
+ equal_value_constraint(
+ -growth * (
+ biomass[resource] -
+ energy_stoichiometry[resource] * protein_polymerization_atp_per_gDW
+ ) -
+ resource_consumption[resource].value * energy_stoichiometry[resource],
+ input,
+ )
+ else # everything else
+ C.Constraint(input.value, -growth * biomass[resource])
+ end
+ end
+ #+
+ # Finally, let's wrap all the constraints and some useful derived helper
+ # values in one big tree:
+ return C.ConstraintTree(
+ :resource_stoichiometry => resource_stoichiometry,
+ :ribosome_balance => ribosome_balance_constraint,
+ :gene_product_production => ribo_required_for_gps,
+ :total_ribosome_mass => C.Constraint(
+ ribosome_molar_mass * (
+ sum_values(v.value for (_, v) in ribo_required_for_gps) +
+ ribos_required_for_ribos.value
+ ),
+ ),
+ :amino_acid_use => (aas_required_for_gps * :ribosome^aas_required_for_ribos),
+ :polymerization_energy => C.Constraint(energy_required),
+ :translation_resource_consumption => resource_consumption,
+ )
+end
+
+# ## Running the resource-balanced simulation
+
+# With the above functions, assembling a resource-balanced model amounts to
+# adding new variables and connecting them with the rest of the
+# enzyme-constrained model. We assemble a model for growth value of 0.6
+# gDW/gDWh:
+rb_constraints = with_translation_variables(ec_constraints)
+rb_constraints *= translation_constraints(
+ rb_constraints.resources,
+ rb_constraints.ribosome_production,
+ rb_constraints.gene_product_amounts,
+ 0.9,
+)
+
+# The model may be slightly under-constrained for less-than-extreme values of
+# growth; to obtain a realistic solution for we can ask the solver to minimize
+# the mass of used resources. Accordingly, we re-constraint the total mass of
+# the model:
+rb_constraints.gene_product_capacity.total_capacity.bound = nothing;
+rb_constraints.total_capacity = C.Constraint(
+ rb_constraints.gene_product_capacity.total_capacity.value +
+ rb_constraints.total_ribosome_mass.value,
+ (0.0, 550.0),
+);
+
+# We can optimize the model now, minimizing the mass:
+res = optimized_values(
+ rb_constraints,
+ objective = rb_constraints.total_capacity.value,
+ sense = Minimal,
+ optimizer = HiGHS.Optimizer,
+)
+
+# The model can be used to observe various interesting effects. For example,
+# how much building material is required to reach such growth?
+res.total_capacity
+@test isapprox(res.total_capacity, 538.778495150974, atol = TEST_TOLERANCE) #src
+
+# What is the resource composition used for building up biomass?
+sort(collect(res.resources), by = last)
+
+# How much of that comes into (and out of) translation?
+res.translation_resource_consumption
+
+# How much arginine is used to build the ribosomes?
+res.amino_acid_use.ribosome.arg__L_c
+
+# This solution is not necessarily optimal though. To find an optimal growth,
+# one may use e.g. [`screen`](@ref) to run the same simulation over many growth
+# values, and pick the largest feasible growth.
diff --git a/docs/src/examples/07b-community-ecfba.jl b/docs/src/examples/07b-community-ecfba.jl
new file mode 100644
index 00000000..59041759
--- /dev/null
+++ b/docs/src/examples/07b-community-ecfba.jl
@@ -0,0 +1,195 @@
+
+# Copyright (c) 2021-2025, University of Luxembourg #src
+# Copyright (c) 2021-2025, Heinrich-Heine University Duesseldorf #src
+# #src
+# Licensed under the Apache License, Version 2.0 (the "License"); #src
+# you may not use this file except in compliance with the License. #src
+# You may obtain a copy of the License at #src
+# #src
+# http://www.apache.org/licenses/LICENSE-2.0 #src
+# #src
+# Unless required by applicable law or agreed to in writing, software #src
+# distributed under the License is distributed on an "AS IS" BASIS, #src
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. #src
+# See the License for the specific language governing permissions and #src
+# limitations under the License. #src
+
+# # Enzyme-constrained communities
+#
+# This example demonstrates a simple way to create enzyme-constrained community
+# models. We use the genome-scale iML1515 E. coli model to simulate a community
+# of 2 auxotrophic organisms (both of which exhibit no growth in isolation due
+# to the lack of the amino acid), and observe how they can save each other by
+# supplying themselves amino-acids. Such analysis easily extends to more
+# auxotrophes and even communities of several different species.
+#
+# The simulations are, very roughly, replicating the logic of the experimental
+# work by *Mee, Michael T., et al. "Syntrophic exchange in synthetic microbial
+# communities." Proceedings of the National Academy of Sciences 111.20 (2014)*.
+
+# As usual, we start by loading packages and downloading models:
+
+using COBREXA
+import AbstractFBCModels as A
+import JSONFBCModels
+import ConstraintTrees as C
+import HiGHS
+
+download_model(
+ "http://bigg.ucsd.edu/static/models/iML1515.json",
+ "iML1515.json",
+ "b0f9199f048779bb08a14dfa6c09ec56d35b8750d2f99681980d0f098355fbf5",
+)
+
+# ## Collecting data and parameters
+#
+# Enzyme-constrained models require parameters for protein molar masses and
+# reaction turnover numbers (kcats). COBREXA supplies prepared example data for
+# the iML1515 model; in this section we summarize the loading of the data into
+# Julia structures from the used format. Other formats will work just as well.
+#
+# The loading is hidden by default for brevity:
+#
+#md # ```@raw html
+#md # Loading the model parameters
+#md # ```
+
+import CSV
+
+data_dir = joinpath(dirname(pathof(COBREXA)), "..", "docs", "src", "examples", "data");
+
+e_coli_gp_mass = Dict{String,Float64}(
+ x.gene_product => x.mass for
+ x in CSV.File(joinpath(data_dir, "e_coli_gp_mass.tsv"), delim = '\t')
+);
+
+kcat_scale = 3600 / 1e3;
+e_coli_rxn_kcat_isozyme = Dict{String,Isozyme}(
+ x.reaction => Isozyme(
+ kcat_forward = x.kcat * kcat_scale,
+ kcat_reverse = x.kcat * kcat_scale,
+ gene_product_stoichiometry = Dict(),
+ ) for x in CSV.File(joinpath(data_dir, "e_coli_reaction_kcat.tsv"), delim = '\t')
+);
+
+e_coli_rxn_isozymes = Dict{String,Dict{String,Isozyme}}();
+for x in CSV.File(joinpath(data_dir, "e_coli_isozyme_gp.tsv"), delim = '\t')
+ haskey(e_coli_rxn_kcat_isozyme, x.reaction) || continue
+ rxn = get!(e_coli_rxn_isozymes, x.reaction, Dict{String,Isozyme}())
+ iso = get!(rxn, x.isozyme, deepcopy(e_coli_rxn_kcat_isozyme[x.reaction]))
+ iso.gene_product_stoichiometry[x.gene_product] = x.stoichiometry
+end;
+
+#md # ```@raw html
+#md #
+#md # ```
+#
+# In the end, we have gene product weight data (just like in the
+# [enzyme-constrained model example](05b-enzyme-constrained-models.md)):
+
+e_coli_gp_mass
+
+# ... as well as isozyme data with kcats:
+
+e_coli_rxn_isozymes
+
+# ## Model assembly
+#
+# For simplicity, we will work with the "canonical" Julia-structured view of
+# the iML1515:
+
+wt_model = load_model("iML1515.json", A.CanonicalModel.Model)
+
+# As the usual quirk, we loosen the lower bound on glucose intake that is
+# required for plain FBA:
+wt_model.reactions["EX_glc__D_e"].lower_bound = -1000.0;
+
+# Additionally we allow the models isoleucine and methionine uptake:
+wt_model.reactions["EX_ile__L_e"].lower_bound = -1000.0;
+wt_model.reactions["EX_met__L_e"].lower_bound = -1000.0;
+
+# ...and for good manners, we also remove the biomass annotation from the
+# biomass reaction that we are not interested in:
+wt_model.reactions["BIOMASS_Ec_iML1515_WT_75p37M"].annotations["sbo"] = [];
+
+# Let's create these two knockouts-- one incapable of producing isoleucine:
+
+ile_model = deepcopy(wt_model)
+delete!(ile_model.reactions, "THRD_L");
+
+# ...and another one without the reaction that is required for producing
+# methionine:
+
+met_model = deepcopy(wt_model)
+delete!(met_model.reactions, "HSST");
+
+# For brevity, let's make a shortcut that creates enzyme-constrained FBA system
+# from the model together with a proper interface for community building:
+
+ecfba_constraints(m, capacity) = enzyme_constrained_flux_balance_constraints(
+ m,
+ reaction_isozymes = e_coli_rxn_isozymes,
+ gene_product_molar_masses = e_coli_gp_mass,
+ interface = :sbo;
+ capacity,
+)
+
+# We can now create the community by creating each model's constraint tree with
+# an interface with [`enzyme_constrained_flux_balance_constraints`](@ref), and
+# connecting them via [`community_flux_balance_constraints`](@ref). We have to
+# pick the model abundances for cFBA, so we pick 1:1 abundance ratio. We also
+# have to pick the capacities for the enzyme-constrained models (these will be
+# properly diluted by the community FBA formulation), and specify that the
+# community is not allowed to exchange either of our two selected amino acids
+# externally (the individual models might cheat the auxotrophe community
+# setting by consuming these).
+
+community_constraints = community_flux_balance_constraints(
+ [
+ "ile_ko" => (ecfba_constraints(ile_model, 100.0), 0.5),
+ "met_ko" => (ecfba_constraints(met_model, 100.0), 0.5),
+ ],
+ ["EX_ile__L_e" => 0.0, "EX_met__L_e" => 0.0],
+)
+
+# ## Simulating the community
+#
+# Since the community constraints created above form a completely normal
+# optimization problem, we can optimize them as usual via
+# [`optimized_values`](@ref); picking the `community_biomass` value as an
+# objective:
+
+res = optimized_values(
+ community_constraints,
+ objective = community_constraints.community_biomass.value,
+ optimizer = HiGHS.Optimizer,
+)
+
+# We can observe that the community indeed grows, although not as quickly as
+# the WT model normally would:
+
+res.community_biomass
+@test isapprox(res.community_biomass, 0.2304879809596633, atol = TEST_TOLERANCE) #src
+
+# One may also observe the "global" community exchanges:
+sort(collect(res.community_exchanges), by = last)
+
+# Appropriately, we can check that the individual community members exchange
+# the expected amino acids (the individual values are scaled to the individual
+# members' biomasses; in the community view these values would be halved by the
+# 0.5 abundances):
+
+[
+ res.met_ko.fluxes.EX_ile__L_e res.met_ko.fluxes.EX_met__L_e
+ res.ile_ko.fluxes.EX_ile__L_e res.ile_ko.fluxes.EX_met__L_e
+]
+
+# We can see that isoleucine is indeed moving into the isoleucine knockout, and
+# methionine into the methionine knockout. (The signs follow the usual exchange
+# convention where negative values mean uptake and positive values mean
+# secretion.)
+#
+# Finally, one might be interested in finding the optimal community composition
+# for the auxotrophes. [The example on community
+# building](04-community-models.md) describes a common way to find the optimal
+# abundance ratios via screening.
diff --git a/docs/src/examples/data/README.md b/docs/src/examples/data/README.md
new file mode 100644
index 00000000..95b66001
--- /dev/null
+++ b/docs/src/examples/data/README.md
@@ -0,0 +1,14 @@
+# Source data for examples
+
+This directory contains prepared data for several example analyses. All data
+was manually cleaned.
+
+The data were collected from the following publications:
+
+- Heckmann, David, et al. "Kinetic profiling of metabolic specialists demonstrates stability and consistency of in vivo enzyme turnover numbers." Proceedings of the National Academy of Sciences 117.37 (2020): 23182-23190.
+- Meldal, Birgit H. M., et al. "Complex Portal 2018: extended content and enhanced visualization tools for macromolecular complexes." Nucleic acids research 47.D1 (2019): D550-D558.
+- Monk, Jonathan M., et al. "i ML1515, a knowledgebase that computes Escherichia coli traits." Nature biotechnology 35.10 (2017): 904-908.
+
+Mass and sequence data were collected from Uniprot:
+
+- UniProt Consortium. "UniProt: a worldwide hub of protein knowledge." Nucleic acids research 47.D1 (2019): D506-D515.
diff --git a/docs/src/examples/data/e_coli_gp_aa.tsv b/docs/src/examples/data/e_coli_gp_aa.tsv
new file mode 100644
index 00000000..d606a65e
--- /dev/null
+++ b/docs/src/examples/data/e_coli_gp_aa.tsv
@@ -0,0 +1,4260 @@
+gene_product ala__L_c arg__L_c asn__L_c asp__L_c cys__L_c gln__L_c glu__L_c gly_c his__L_c ile__L_c leu__L_c lys__L_c met__L_c phe__L_c pro__L_c ser__L_c thr__L_c trp__L_c tyr__L_c val__L_c
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diff --git a/docs/src/examples/data/e_coli_gp_mass.tsv b/docs/src/examples/data/e_coli_gp_mass.tsv
new file mode 100644
index 00000000..670ad1db
--- /dev/null
+++ b/docs/src/examples/data/e_coli_gp_mass.tsv
@@ -0,0 +1,1518 @@
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diff --git a/docs/src/examples/data/e_coli_isozyme_gp.tsv b/docs/src/examples/data/e_coli_isozyme_gp.tsv
new file mode 100644
index 00000000..3ed4c83f
--- /dev/null
+++ b/docs/src/examples/data/e_coli_isozyme_gp.tsv
@@ -0,0 +1,4750 @@
+reaction isozyme gene_product stoichiometry
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diff --git a/docs/src/examples/data/e_coli_reaction_kcat.tsv b/docs/src/examples/data/e_coli_reaction_kcat.tsv
new file mode 100644
index 00000000..7bd81d9e
--- /dev/null
+++ b/docs/src/examples/data/e_coli_reaction_kcat.tsv
@@ -0,0 +1,2629 @@
+reaction kcat
+12PPDRtex 180.0
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+13PPDH2_b 8.77203237400417
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+TMDS 7.4
+TMK 6.11462720336892
+TMPK 0.23
+TMPPP 0.0214258833324572
+TPI 193.906572544439
+TPI_b 129.23324311666
+TPRDCOAS 16.2714114428206
+TRDR 35.4580895556515
+TRE6PH 14.4982404650522
+TRE6PP 11.7689348811775
+TRE6PS 7.91314238864529
+TREH 18.2998718885334
+TREHpp 20.4250792633978
+TREptspp 180.0
+TREtex 180.0
+TRPAS2 28.98710156221
+TRPAS2_b 5.0
+TRPS1 54.6504588981143
+TRPS2 71.4293253002498
+TRPS3 88.2049040495694
+TRPt2rpp 180.0
+TRPtex 180.0
+TRPtipp 180.0
+TRPTRS 6.54026436603574
+TRSARr 28.6731048574488
+TRSARr_b 80.2014089960751
+TSULabcpp 180.0
+TSULtex 180.0
+TTDCAtexi 180.0
+TTDCEAtexi 180.0
+TTRCYCtex 180.0
+TTRCYCtpp 180.0
+TUNGSabcpp 180.0
+TUNGStex 180.0
+TYMtex 180.0
+TYRL 0.0143369406308285
+TYROXDApp 20.5167543333707
+TYRPpp 15.6674143737912
+TYRPtex 180.0
+TYRt2rpp 180.0
+TYRTA 7.80073017029772
+TYRTA_b 12.096336840044
+TYRtex 180.0
+TYRtipp 180.0
+TYRTRS 6.54026436603574
+U23GAAT 36.0
+UAAGDS 8.0
+UACGALPpp 4.29065074800568
+UACGAMPpp 4.29065074800568
+UACGAMtex 180.0
+UACMAMO 5.726958245789
+UAG2E 3.94877616119486
+UAG2E_b 3.94877616119486
+UAGAAT 2.44977186579031
+UAGAAT_b 21.6425991513373
+UAGCVT 3.3
+UAGDP 16.0
+UAGPT3 17.0
+UAMAGS 29.0
+UAMAS 14.0
+UAPGR 43.0
+UDCPDP 23.7281625729441
+UDCPDPpp 26.4872899377807
+UDCPDPS 0.14
+UDCPPtppi 12.8197036018068
+UDPACGALtex 180.0
+UDPG4E 53.1524935888073
+UDPG4E_b 121.10253184581
+UDPGALM 8.94950886449833
+UDPGALPpp 4.29065074800568
+UDPGALtex 180.0
+UDPGD 8.35689008733074
+UDPGDC 3.96269305821496
+UDPGLCURtex 180.0
+UDPGPpp 4.29065074800568
+UDPGPT 7.50801435329467
+UDPGPT_b 7.50801435329467
+UDPGtex 180.0
+UDPKAAT 6.93633528106696
+UDPKAAT_b 8.17613942231003
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+UGLT 80.5344342196906
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+UHGADA 21.0
+ULA4NFT 4.56427321655228
+ULA4Ntppi 10.1089184986542
+UM3PL 7.79882868786899
+UM4PCP 17.9131183641197
+UM4PL 7.79882868786899
+UMPK 26.5565496634357
+UMPK_b 9.14456100180362
+UMPtex 180.0
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+UPLA4FNT 10.2677467833159
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+UPP3S 1.0
+UPPDC1 0.81
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+URAt2pp 180.0
+URATEtex 180.0
+URATEtpp 180.0
+URAtex 180.0
+URDGLYCD 4.85857997201296
+UREAtex 180.0
+UREAtpp 180.0
+URIC 5.22588898424484
+URIH 9.72248156463871
+URIK1 9.78144941091262
+URIK2 10.1158531405334
+URIt2pp_copy1 180.0
+URIt2pp_copy2 180.0
+URItex 180.0
+USHD 16.5941999635267
+VALabcpp 180.0
+VALt2rpp 180.0
+VALt3pp 180.0
+VALTA 8.28061648420117
+VALTA_b 19.0532877363441
+VALtex 180.0
+VALTRS 6.54026436603574
+VPAMTr 17.8309398407416
+VPAMTr_b 49.2529379595513
+WCOS 4.67933517568821
+X5PL3E 6.85935268596047
+XAND 8.44448432836534
+XANt2pp 180.0
+XANtex 180.0
+XMPtex 180.0
+XPPT 5.61409039436033
+XTSNH 9.47722204912371
+XTSNt2rpp 180.0
+XTSNtex 180.0
+XYHDL 9.34074844522538
+XYLabcpp 180.0
+XYLI1 6.88501156036144
+XYLI1_b 6.88501156036144
+XYLI2 6.50195825224657
+XYLI2_b 8.43955340625552
+XYLK2 8.49633380346128
+XYLK 6.38081875530872
+XYLt2pp 180.0
+XYLtex 180.0
+XYLUt2pp 180.0
+XYLUtex 180.0
+YUMPS 7.31518304078335
+YUMPS_b 7.20073662862541
+ZN2abcpp 180.0
+ZN2t3pp 180.0
+Zn2tex 180.0
+ZN2tpp 180.0
+ZNabcpp 180.0
diff --git a/src/builders/interface.jl b/src/builders/interface.jl
index 3d0fed2b..98ec9fa2 100644
--- a/src/builders/interface.jl
+++ b/src/builders/interface.jl
@@ -100,3 +100,41 @@ Overload of [`interface_constraints`](@ref) for general key-value containers.
interface_constraints(kv; kwargs...) = interface_constraints(kv...; kwargs...)
export interface_constraints
+
+"""
+$(TYPEDSIGNATURES)
+
+Glue an interface made of additional variables into a constraint system that
+lacks variables to support one. Returns a tuple of a "module" and its
+"interface", usable in [`interface_constraints`](@ref).
+
+First, `interface` variables are renumbered to not collide with `constraints`.
+The values in `interface` are then multiplied by `multiplier` (by default 1)
+and injected into `constraints` that have the same "path" in the constraint
+tree. Attempts to inject into missing `constraints` and mismatches between leaf
+constraints and subtrees are ignored. The output consists of the extended
+`constraints` and the renumbered `interface` (in particular, numbering of
+the original variables in `constraints` is retained). Constraints in both trees
+retain their bounds.
+
+In metabolic modeling terms, this adds interfaces that contribute to any
+constrained quantity in a model. For example, one may conveniently create new
+exchange reactions to contribute to an existing metabolite balance, which can
+in turn be used as an interface in a more complex model.
+"""
+function inject_interface(
+ constraints::C.ConstraintTree,
+ interface::C.ConstraintTree;
+ multiplier = 1,
+)
+ go(cs::C.ConstraintTree, iface::C.ConstraintTree) =
+ C.ConstraintTree(k => haskey(iface, k) ? go(v, iface[k]) : v for (k, v) in cs)
+ go(cs::C.Constraint, iface::C.Constraint) =
+ C.Constraint(value = cs.value + multiplier * iface.value, bound = cs.bound)
+ go(cs, _) = cs # any non-matching interface is simply ignored
+
+ interface_ = C.incr_var_idxs(interface, C.var_count(constraints))
+ return (go(constraints, interface_), interface_)
+end
+
+export inject_interface
diff --git a/test/misc.jl b/test/misc.jl
index eda0ecd2..c3de3c14 100644
--- a/test/misc.jl
+++ b/test/misc.jl
@@ -105,6 +105,9 @@ end
@test c.interface_balance.x.value.idxs == [1, 3, 5, 7, 9]
@test c.interface_balance.x.value.weights == [1.0, 2.0, 1.0, 3.0, -1.0]
+ (c, v) = inject_interface(C.variables(keys = [:x, :y]), :x^C.variables(keys = [:x, :y]))
+ @test issetequal(keys(c), [:x, :y])
+ @test c.x isa C.Constraint
end
@testset "Uncommon bounds in gapfilling" begin