From c60347fff0431cf7e090765bc3aa6062c235f2e4 Mon Sep 17 00:00:00 2001
From: Ingmar Schoegl <ischoegl@lsu.edu>
Date: Wed, 19 Jan 2022 09:26:48 -0600
Subject: [PATCH] [Python] Add Species.from_dict

---
 interfaces/cython/cantera/test/test_thermo.py | 26 +++++++++++++++++--
 interfaces/cython/cantera/thermo.pyx          | 17 +++++++++++-
 2 files changed, 40 insertions(+), 3 deletions(-)

diff --git a/interfaces/cython/cantera/test/test_thermo.py b/interfaces/cython/cantera/test/test_thermo.py
index 7df103fc5b..b966f6a369 100644
--- a/interfaces/cython/cantera/test/test_thermo.py
+++ b/interfaces/cython/cantera/test/test_thermo.py
@@ -1172,7 +1172,7 @@ def test_listFromCti(self):
         S = ct.Species.listFromCti((self.cantera_data_path / "h2o2.cti").read_text())
         self.assertEqual(S[3].name, self.gas.species_name(3))
 
-    def test_listFomYaml(self):
+    def test_list_from_yaml(self):
         yaml = '''
         - name: H2O
           composition: {H: 2, O: 1}
@@ -1186,7 +1186,7 @@ def test_listFomYaml(self):
         self.assertEqual(species[1].composition, {'H': 1, 'O': 2})
         self.assertNear(species[0].thermo.h(300), 100)
 
-    def test_listFromYaml_section(self):
+    def test_list_from_yaml_section(self):
         species = ct.Species.list_from_yaml(
             (self.test_data_path / "ideal-gas.yaml").read_text(),
             'species')
@@ -1194,6 +1194,28 @@ def test_listFromYaml_section(self):
         self.assertEqual(species[0].name, 'O2')
         self.assertEqual(species[1].composition, {'N': 1, 'O': 1})
 
+    def test_from_yaml(self):
+        yaml = """
+        name: H2O
+        composition: {H: 2, O: 1}
+        thermo: {model: constant-cp, h0: 100}
+        """
+        species = ct.Species.from_yaml(yaml)
+        self.assertEqual(species.name, 'H2O')
+        self.assertEqual(species.composition, {'H': 2, 'O': 1})
+        self.assertNear(species.thermo.h(300), 100)
+
+    def test_from_dict(self):
+        data = {
+            "name": "H2O",
+            "composition": {"H": 2, "O": 1},
+            "thermo": {"model": "constant-cp", "h0": 100},
+        }
+        species = ct.Species.from_dict(data)
+        self.assertEqual(species.name, 'H2O')
+        self.assertEqual(species.composition, {'H': 2, 'O': 1})
+        self.assertNear(species.thermo.h(300), 100)
+
     @utilities.allow_deprecated
     def test_listFromXml(self):
         S = ct.Species.listFromXml((self.cantera_data_path / "h2o2.xml").read_text())
diff --git a/interfaces/cython/cantera/thermo.pyx b/interfaces/cython/cantera/thermo.pyx
index b26148630e..7e344d2a83 100644
--- a/interfaces/cython/cantera/thermo.pyx
+++ b/interfaces/cython/cantera/thermo.pyx
@@ -123,13 +123,28 @@ cdef class Species:
     @staticmethod
     def from_yaml(text):
         """
-        Create a Species object from its YAML string representation.
+        Create a `Species` object from its YAML string representation.
         """
         cxx_species = CxxNewSpecies(AnyMapFromYamlString(stringify(text)))
         species = Species(init=False)
         species._assign(cxx_species)
         return species
 
+    @staticmethod
+    def from_dict(data):
+        """
+        Create a `Species` object from a dictionary corresponding to its YAML
+        representation.
+
+        :param data:
+            A dictionary corresponding to the YAML representation.
+        """
+        cdef CxxAnyMap any_map = dict_to_anymap(data)
+        cxx_species = CxxNewSpecies(any_map)
+        species = Species(init=False)
+        species._assign(cxx_species)
+        return species
+
     @staticmethod
     def listFromFile(filename, section='species'):
         """