Add the Arn0 methods like the Ar0n ones

Closes #122
usnistgov · Apr 24, 2024 · f17543c · f17543c
1 parent d7e134c
commit f17543c
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diff --git a/include/teqp/cpp/deriv_adapter.hpp b/include/teqp/cpp/deriv_adapter.hpp
@@ -123,6 +123,10 @@ class DerivativeAdapter : public teqp::cppinterface::AbstractModel{
 #define X(i) virtual EArrayd get_Ar0 ## i ## n(const double T, const double rho, const REArrayd& molefrac) const  override { auto vals = TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::template get_Ar0n<i>(mp.get_cref(), T, rho, molefrac); return Eigen::Map<Eigen::ArrayXd>(&(vals[0]), vals.size()); };
     AR0N_args
 #undef X
+    // And like get_Ar10n, get_Ar20n, ....
+#define X(i) virtual EArrayd get_Ar ## i ## 0n(const double T, const double rho, const REArrayd& molefrac) const  override { auto vals = TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::template get_Arn0<i>(mp.get_cref(), T, rho, molefrac); return Eigen::Map<Eigen::ArrayXd>(&(vals[0]), vals.size()); };
+    ARN0_args
+#undef X
 
     // Virial derivatives
     virtual double get_B2vir(const double T, const EArrayd& z) const override {

diff --git a/include/teqp/cpp/teqpcpp.hpp b/include/teqp/cpp/teqpcpp.hpp
@@ -45,6 +45,14 @@ using REMatrixd = Eigen::Ref<const Eigen::Array<double, Eigen::Dynamic, Eigen::D
     X(5) \
     X(6)
 
+// Note: the 0 index is not included because it is already present in the AR0N_args array
+// otherwise you would have two copies of the 00
+#define ARN0_args \
+    X(1) \
+    X(2) \
+    X(3) \
+    X(4)
+
 // Functions that return a double, take T and rhovec as arguments
 #define ISOCHORIC_double_args \
     X(get_pr) \
@@ -104,6 +112,10 @@ namespace teqp {
             #define X(i) virtual EArrayd get_Ar0 ## i ## n(const double T, const double rho, const REArrayd& molefrac) const = 0;
                 AR0N_args
             #undef X
+            // And like get_Ar10n, get_Ar20n, ....
+            #define X(i) virtual EArrayd get_Ar ## i ## 0n(const double T, const double rho, const REArrayd& molefrac) const = 0;
+                ARN0_args
+            #undef X
 
 
             // Virial derivatives

diff --git a/interface/pybind11_wrapper.cpp b/interface/pybind11_wrapper.cpp
@@ -484,6 +484,10 @@ void init_teqp(py::module& m) {
         #define X(i) .def(stringify(get_Ar0 ## i ## n), &am::get_Ar0 ## i ## n, "T"_a, "rho"_a, "molefrac"_a.noconvert())
             AR0N_args
         #undef X
+        // And like get_Ar10n, get_Ar20n, ....
+        #define X(i) .def(stringify(get_Ar ## i ## 0n), &am::get_Ar ## i ## 0n, "T"_a, "rho"_a, "molefrac"_a.noconvert())
+            ARN0_args
+        #undef X
         .def("get_neff", &am::get_neff, "T"_a, "rho"_a, "molefrac"_a.noconvert())
 
         // Methods that come from the isochoric derivatives formalism