From cd7b90ff97b90e0be926457a08c920b1d4fa210b Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Sat, 27 Aug 2022 17:13:39 -0400
Subject: [PATCH] Register ExtensibleRate types with ReactionRateFactory

---
 interfaces/cython/cantera/_cantera.pyx    |  1 +
 src/extensions/PythonExtensionManager.cpp | 35 +++++++++++++++++++++--
 src/extensions/pythonExtensions.pyx       | 26 +++++++++++++++--
 3 files changed, 56 insertions(+), 6 deletions(-)

diff --git a/interfaces/cython/cantera/_cantera.pyx b/interfaces/cython/cantera/_cantera.pyx
index 943080c4ef..4503566d6c 100644
--- a/interfaces/cython/cantera/_cantera.pyx
+++ b/interfaces/cython/cantera/_cantera.pyx
@@ -7,6 +7,7 @@
 import sys
 import importlib
 import importlib.abc
+import importlib.util
 
 # Chooses the right init function
 # See https://stackoverflow.com/a/52714500
diff --git a/src/extensions/PythonExtensionManager.cpp b/src/extensions/PythonExtensionManager.cpp
index 5547922dcf..fba5fc9fb1 100644
--- a/src/extensions/PythonExtensionManager.cpp
+++ b/src/extensions/PythonExtensionManager.cpp
@@ -5,9 +5,15 @@
 
 #include "cantera/extensions/PythonExtensionManager.h"
 
+#include "cantera/kinetics/ReactionRateFactory.h"
 #include "cantera/kinetics/ReactionRateDelegator.h"
 #include "pythonExtensions.h" // generated by Cython
 
+#include <boost/algorithm/string.hpp>
+
+namespace ba = boost::algorithm;
+using namespace std;
+
 namespace Cantera
 {
 
@@ -49,12 +55,35 @@ PythonExtensionManager::PythonExtensionManager()
     Py_DECREF(pyModule);
 }
 
-void PythonExtensionManager::registerRateBuilders(const std::string& extensionName)
+void PythonExtensionManager::registerRateBuilders(const string& extensionName)
 {
     char* c_rateTypes = ct_getPythonExtensibleRateTypes(extensionName);
-    std::string rateTypes(c_rateTypes);
+    string rateTypes(c_rateTypes);
     free(c_rateTypes);
-    writelog("Module returned types: '{}'\n", rateTypes);
+
+    // Each line in rateTypes is a (class name, rate name) pair, separated by a tab
+    vector<string> lines;
+    ba::split(lines, rateTypes, boost::is_any_of("\n"));
+    for (auto& line : lines) {
+        vector<string> tokens;
+        ba::split(tokens, line, boost::is_any_of("\t"));
+        if (tokens.size() != 2) {
+            CanteraError("PythonExtensionManager::registerRateBuilders",
+                         "Got unparsable input from ct_getPythonExtensibleRateTypes:"
+                         "\n'''{}\n'''", rateTypes);
+        }
+        string rateName = tokens[0];
+
+        // Create a function that constructs and links a C++ ReactionRateDelegator
+        // object and a Python ExtensibleRate object of a particular type, and register
+        // this as the builder for reactions of this type
+        auto builder = [rateName, extensionName](const AnyMap& params, const UnitStack& units) {
+            auto delegator = make_unique<ReactionRateDelegator>();
+            ct_addPythonExtensibleRate(delegator.get(), extensionName, rateName);
+            return delegator.release();
+        };
+        ReactionRateFactory::factory()->reg(tokens[1], builder);
+    }
 }
 
 };
diff --git a/src/extensions/pythonExtensions.pyx b/src/extensions/pythonExtensions.pyx
index 52ae8bc9fa..ad5c37c619 100644
--- a/src/extensions/pythonExtensions.pyx
+++ b/src/extensions/pythonExtensions.pyx
@@ -7,14 +7,22 @@
 from libcpp.string cimport string
 from libc.stdlib cimport malloc
 from libc.string cimport strcpy
+from cpython.ref cimport Py_INCREF
 
 import importlib
 import inspect
 
 import cantera as ct
-from cantera.reaction cimport ExtensibleRate
+from cantera.reaction cimport ExtensibleRate, CxxReactionRate
+from cantera.delegator cimport CxxDelegator, assign_delegates
 
-cdef public char* ct_getPythonExtensibleRateTypes(const string& module_name):
+
+cdef extern from "cantera/kinetics/ReactionRateDelegator.h" namespace "Cantera":
+    cdef cppclass CxxReactionRateDelegator "Cantera::ReactionRateDelegator" (CxxDelegator, CxxReactionRate):
+        CxxReactionRateDelegator()
+
+
+cdef public char* ct_getPythonExtensibleRateTypes(const string& module_name) except NULL:
     """
     Load the named module and find classes derived from ExtensibleRate.
 
@@ -23,10 +31,22 @@ cdef public char* ct_getPythonExtensibleRateTypes(const string& module_name):
     """
     mod = importlib.import_module(module_name.decode())
     names = "\n".join(
-        f"{name} {cls._reaction_rate_type}"
+        f"{name}\t{cls._reaction_rate_type}"
         for name, cls in inspect.getmembers(mod)
         if inspect.isclass(cls) and issubclass(cls, ct.ExtensibleRate))
     tmp = bytes(names.encode())
     cdef char* c_string = <char*> malloc((len(tmp) + 1) * sizeof(char))
     strcpy(c_string, tmp)
     return c_string
+
+
+cdef public int ct_addPythonExtensibleRate(CxxReactionRateDelegator* delegator,
+                                            const string& module_name,
+                                            const string& class_name) except -1:
+
+    mod = importlib.import_module(module_name.decode())
+    cdef ExtensibleRate rate = getattr(mod, class_name.decode())(init=False)
+    Py_INCREF(rate)
+    rate.set_cxx_object(delegator)
+    assign_delegates(rate, delegator)
+    return 0