Allow more models to be disabled

usnistgov · Jan 6, 2025 · 66dbfad · 66dbfad
1 parent 4533a80
commit 66dbfad
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Showing 3 changed files with 59 additions and 2 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -155,7 +155,7 @@ set(JSON_Diagnostics TRUE CACHE BOOL "Turn on more helpful diagnostics in nlohma
 # Prepare preprocessor macros
 set(preprocessors)
 # A comma-delimited, case-insensitive, set of factories to disable"
-## set(TEQP_DISABLED_FACTORIES "CPA,SAFTVRMIE") # as an example
+## set(TEQP_DISABLED_FACTORIES "CPA,SAFTVRMIE,GENERICSAFT,SQUAREWELL,EXP6,2CLJF,MIE,MULTIFLUIDACTIVITY") # as an example
 if (TEQP_DISABLED_FACTORIES)
     string(REGEX MATCHALL "[^,]+" disabled_factories "${TEQP_DISABLED_FACTORIES}")
     message(STATUS "${disabled_factories}")

diff --git a/interface/CPP/model_factory_model_potentials.cpp b/interface/CPP/model_factory_model_potentials.cpp
@@ -1,27 +1,62 @@
 #include "teqp/cpp/teqpcpp.hpp"
 #include "teqp/cpp/deriv_adapter.hpp"
+
+#include "model_flags.hpp"
+
+#ifndef DISABLE_SQUAREWELL
 #include "teqp/models/model_potentials/squarewell.hpp"
+#endif
+#ifndef DISABLE_EXP6
 #include "teqp/models/model_potentials/exp6.hpp"
+#endif
+#ifndef DISABLE_2CLJF
 #include "teqp/models/model_potentials/2center_ljf.hpp"
-
+#endif
+#ifndef DISABLE_MIE
 #include "teqp/models/mie/mie.hpp"
+#endif
 
 namespace teqp{
     namespace cppinterface{
         using teqp::cppinterface::adapter::make_owned;
 
+#ifndef DISABLE_SQUAREWELL
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_SW_EspindolaHeredia2009(const nlohmann::json &spec){
             return make_owned(squarewell::EspindolaHeredia2009(spec.at("lambda")));
         }
+#else
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_SW_EspindolaHeredia2009(const nlohmann::json &){
+            throw teqp::NotImplementedError("The squarewell model from Espindola-Heredia has been disabled");
+        }
+#endif
+
+#ifndef DISABLE_EXP6
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_EXP6_Kataoka1992(const nlohmann::json &spec){
             return make_owned(exp6::Kataoka1992(spec.at("alpha")));
         }
+#else
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_EXP6_Kataoka1992(const nlohmann::json &){
+            throw teqp::NotImplementedError("The EXP-6 model from Espindola-Heredia has been disabled");
+        }
+#endif
+
+#ifndef DISABLE_MIE
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_Mie_Pohl2023(const nlohmann::json &spec){
             return make_owned(Mie::Mie6Pohl2023(spec.at("lambda_r")));
         }
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_Mie_Chaparro2023(const nlohmann::json &spec){
             return make_owned(FEANN::ChaparroJCP2023(spec.at("lambda_r"), spec.at("lambda_a")));
         }
+#else
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_Mie_Pohl2023(const nlohmann::json &){
+            throw teqp::NotImplementedError("The Mie model from Pohl has been disabled");
+        }
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_Mie_Chaparro2023(const nlohmann::json &){
+            throw teqp::NotImplementedError("The Mie model from Chaparro has been disabled");
+        }
+#endif
+
+#ifndef DISABLE_2CLJF
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_2CLJF(const nlohmann::json &spec){
             return make_owned(twocenterljf::build_two_center_model(spec.at("author"), spec.at("L^*")));
         }
@@ -31,5 +66,16 @@ namespace teqp{
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_2CLJF_Quadrupole(const nlohmann::json &spec){
             return make_owned(twocenterljf::build_two_center_model_quadrupole(spec.at("author"), spec.at("L^*"), spec.at("(Q^*)^2")));
         }
+#else
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_2CLJF(const nlohmann::json &){
+            throw teqp::NotImplementedError("The 2CLJF model has been disabled");
+        }
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_2CLJF_Dipole(const nlohmann::json &){
+            throw teqp::NotImplementedError("The 2CLJF+dipole model has been disabled");
+        }
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_2CLJF_Quadrupole(const nlohmann::json &){
+            throw teqp::NotImplementedError("The 2CLJF+quadrupole model has been disabled");
+        }
+#endif
     }
 }
diff --git a/interface/CPP/model_factory_multifluid_activity.cpp b/interface/CPP/model_factory_multifluid_activity.cpp
@@ -1,11 +1,22 @@
 #include "teqp/cpp/teqpcpp.hpp"
 #include "teqp/cpp/deriv_adapter.hpp"
+
+#include "model_flags.hpp"
+
+#ifndef DISABLE_MULTIFLUIDACTIVITY
 #include "teqp/models/multifluid/multifluid_activity.hpp"
+#endif
 
 namespace teqp{
     namespace cppinterface{
+#ifndef DISABLE_MULTIFLUIDACTIVITY
         std::unique_ptr<teqp::cppinterface::AbstractModel> make_multifluid_activity(const nlohmann::json &j){
             return teqp::cppinterface::adapter::make_owned(multifluid::multifluid_activity::MultifluidPlusActivity(j));
         }
+#else
+        std::unique_ptr<teqp::cppinterface::AbstractModel> make_multifluid_activity(const nlohmann::json &){
+            throw teqp::NotImplementedError("The multifluid+activity model has been disabled");
+        }
+#endif
     }
 }