Merged PR 383: Chem4Word 2020 - Release 1 (V3.1.11)

* Set Transport Layer Security TLS 1.2 protocol to prevent https errors * Improved code handling updating of Content Control(s) * #70 - Improved look of Exterior Double Bond in ACME * Library now refreshes properly after add / remove; No longer any need to close and open MS Word * Isotope Labels now clear on change of element * Improvements to double bond handling in ACME * Added telemetry to ACME Related work items: #736, #751, #752, #755
Chem4Word · Sep 2, 2020 · bfd7ea4 · bfd7ea4
1 parent dbc5c3f
commit bfd7ea4
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diff --git a/docs/Chem4Word-Version3-1-User-Manual.docx b/docs/Chem4Word-Version3-1-User-Manual.docx
diff --git a/src/Chem4Word.V3/Data/Chem4Word-Versions.xml b/src/Chem4Word.V3/Data/Chem4Word-Versions.xml
@@ -5,12 +5,12 @@
   <Version>
     <Number>3.1.11 Release 1</Number>
     <IsBeta>false</IsBeta>
-    <Released>19-Aug-2020</Released>
+    <Released>02-Sep-2020</Released>
     <Changes>
       <Change>Improved code handling updating of Content Control(s)</Change>
       <Change>https://github.com/Chem4Word/Version3-1/issues/70 - Improved look of Exterior Double Bond in ACME</Change>
-      <Change>Library now refreshes properly after add / remove without closing word</Change>
-      <Change>Isotope Labels clear on change of element</Change>
+      <Change>Library now refreshes properly after add / remove; No longer any need to close and open MS Word</Change>
+      <Change>Isotope Labels now clear on change of element</Change>
       <Change>Improvements to double bond handling in ACME</Change>
       <Change>Added telemetry to ACME</Change>
     </Changes>

diff --git a/src/Chem4Word.V3/Data/This-Version.xml b/src/Chem4Word.V3/Data/This-Version.xml
@@ -2,5 +2,5 @@
 <Version>
   <Number>3.1.11 Release 1</Number>
   <IsBeta>false</IsBeta>
-  <Released>19-Aug-2020</Released>
+  <Released>02-Sep-2020</Released>
 </Version>
diff --git a/src/Chem4Word.V3/Helpers/UpdateHelper.cs b/src/Chem4Word.V3/Helpers/UpdateHelper.cs
@@ -318,16 +318,15 @@ private static string GetVersionsXmlFile()
             string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
 
             string VersionsFile = $"{Constants.Chem4WordVersionFiles}/Chem4Word-Versions.xml";
-#if DEBUG
-            //VersionsFile = $"{Constants.Chem4WordVersionFiles}/Chem4Word-Versions-Debug.xml";
-#endif
-
             string PrimaryDomain = "https://www.chem4word.co.uk";
             string[] Domains = { "https://www.chem4word.co.uk", "http://www.chem4word.com", "https://chem4word.azurewebsites.net" };
             string VersionsFileMarker = "<Id>f3c4f4db-2fff-46db-b14a-feb8e09f7742</Id>";
 
             string contents = null;
 
+            var securityProtocol = ServicePointManager.SecurityProtocol;
+            ServicePointManager.SecurityProtocol = securityProtocol | SecurityProtocolType.Tls11 | SecurityProtocolType.Tls12;
+
             bool foundOurXmlFile = false;
             foreach (var domain in Domains)
             {
@@ -384,6 +383,7 @@ private static string GetVersionsXmlFile()
                 }
             }
 
+            ServicePointManager.SecurityProtocol = securityProtocol;
             return contents;
         }
 

diff --git a/src/Chem4Word.V3/Properties/AssemblyInfo.cs b/src/Chem4Word.V3/Properties/AssemblyInfo.cs
@@ -35,5 +35,5 @@
 //      Build Number
 //      Revision
 //
-[assembly: AssemblyVersion("3.1.11.7536")]
-[assembly: AssemblyFileVersion("3.1.11.7536")]
+[assembly: AssemblyVersion("3.1.11.7550")]
+[assembly: AssemblyFileVersion("3.1.11.7550")]
diff --git a/src/Chem4Word.V3/WebServices/ChemicalServices.cs b/src/Chem4Word.V3/WebServices/ChemicalServices.cs
@@ -41,9 +41,12 @@ public ChemicalServicesResult GetChemicalServicesResult(string molfile)
             DateTime started = DateTime.Now;
 
             ChemicalServicesResult data = null;
+            var securityProtocol = ServicePointManager.SecurityProtocol;
 
             try
             {
+                ServicePointManager.SecurityProtocol = securityProtocol | SecurityProtocolType.Tls11 | SecurityProtocolType.Tls12;
+
                 using (HttpClient httpClient = new HttpClient())
                 {
                     var formData = new List<KeyValuePair<string, string>>();
@@ -84,6 +87,7 @@ public ChemicalServicesResult GetChemicalServicesResult(string molfile)
                                 {
                                     Telemetry.Write(module, "Timing", string.Join(Environment.NewLine, data.Messages));
                                 }
+
                                 if (data.Errors.Any())
                                 {
                                     Telemetry.Write(module, "Exception(Data)", string.Join(Environment.NewLine, data.Errors));
@@ -103,6 +107,10 @@ public ChemicalServicesResult GetChemicalServicesResult(string molfile)
                 Telemetry.Write(module, "Exception", e1.Message);
                 Telemetry.Write(module, "Exception", e1.ToString());
             }
+            finally
+            {
+                ServicePointManager.SecurityProtocol = securityProtocol;
+            }
 
             DateTime ended = DateTime.Now;
             TimeSpan duration = ended - started;

diff --git a/src/Chem4WordTests/Chem4WordTests.csproj b/src/Chem4WordTests/Chem4WordTests.csproj
@@ -186,6 +186,18 @@
   <ItemGroup>
     <EmbeddedResource Include="Resources\CML\NestedParafuchsinCarbol.xml" />
   </ItemGroup>
+  <ItemGroup>
+    <EmbeddedResource Include="Resources\CML\Trimethylamine-Normal.xml" />
+  </ItemGroup>
+  <ItemGroup>
+    <EmbeddedResource Include="Resources\CML\Trimethylamine-MinusNamespace.xml" />
+  </ItemGroup>
+  <ItemGroup>
+    <EmbeddedResource Include="Resources\CML\Trimethylamine-MinusArrays.xml" />
+  </ItemGroup>
+  <ItemGroup>
+    <EmbeddedResource Include="Resources\CML\Trimethylamine-MoleculeRoot.xml" />
+  </ItemGroup>
   <Choose>
     <When Condition="'$(VisualStudioVersion)' == '10.0' And '$(IsCodedUITest)' == 'True'">
       <ItemGroup>

diff --git a/src/Chem4WordTests/Persistence.cs b/src/Chem4WordTests/Persistence.cs
@@ -15,143 +15,51 @@ namespace Chem4WordTests
 {
     public class Persistence
     {
-        [Fact]
-        public void CmlImportNoAtoms()
-        {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("NoAtoms.xml"));
-
-            // Basic sanity checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 0, $"Expected 0 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 0, $"Expected 0 Bonds; Got {m.TotalBondsCount}");
-
-            // Check that names and formulae have not been trashed
-            Assert.True(m.Molecules.Values.First().Names.Count == 1, $"Expected 1 Chemical Names; Got {m.Molecules.Values.First().Names.Count}");
-        }
-
-        [Fact]
-        public void CmlImportBenzene()
-        {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("Benzene.xml"));
-
-            // Basic sanity checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 6, $"Expected 6 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 6, $"Expected 6 Bonds; Got {m.TotalBondsCount}");
-
-            // Check that names and formulae have not been trashed
-            Assert.True(m.Molecules.Values.First().Names.Count == 3, $"Expected 3 Chemical Names; Got {m.Molecules.Values.First().Names.Count}");
-            Assert.True(m.Molecules.Values.First().Formulas.Count == 2, $"Expected 2 Formulae; Got {m.Molecules.Values.First().Formulas.Count }");
-
-            // Check that we have one ring
-            Assert.True(m.Molecules.Values.First().Rings.Count == 1, $"Expected 1 Ring; Got {m.Molecules.Values.First().Rings.Count}");
-        }
-
-        [Fact]
-        public void CmlImportTestosterone()
-        {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("Testosterone.xml"));
-
-            // Basic Sanity Checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 25, $"Expected 25 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 28, $"Expected 28 Bonds; Got {m.TotalBondsCount}");
-
-            // Check that names and formulae have not been trashed
-            Assert.True(m.Molecules.Values.First().Names.Count == 4, $"Expected 4 Chemical Names; Got {m.Molecules.Values.First().Names.Count}");
-            Assert.True(m.Molecules.Values.First().Formulas.Count == 2, $"Expected 2 Formulae; Got {m.Molecules.Values.First().Formulas.Count }");
-
-            Assert.True(m.Molecules.Values.First().Rings.Count == 4, $"Expected 4 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 4, $"Expected 4 Rings; Got {list.Count}");
-        }
-
-        [Fact]
-        public void CmlImportTestosteroneThenRefresh()
+        [Theory]
+        [InlineData("Trimethylamine-Normal.xml")]
+        [InlineData("Trimethylamine-MinusArrays.xml")]
+        [InlineData("Trimethylamine-MinusNamespace.xml")]
+        [InlineData("Trimethylamine-MoleculeRoot.xml")]
+        public void CheckCmlImportVariants(string file)
         {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("Testosterone.xml"));
-
-            // Basic Sanity Checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 25, $"Expected 25 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 28, $"Expected 28 Bonds; Got {m.TotalBondsCount}");
-
-            // Check that names and formulae have not been trashed
-            Assert.True(m.Molecules.Values.First().Names.Count == 4, $"Expected 4 Chemical Names; Got {m.Molecules.Values.First().Names.Count}");
-            Assert.True(m.Molecules.Values.First().Formulas.Count == 2, $"Expected 2 Formulae; Got {m.Molecules.Values.First().Formulas.Count }");
+            // Arrange
 
-            Assert.True(m.Molecules.Values.First().Rings.Count == 4, $"Expected 4 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 4, $"Expected 4 Rings; Got {list.Count}");
-        }
-
-        [Fact]
-        public void CmlImportCopperPhthalocyanine()
-        {
+            // Act
             CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("CopperPhthalocyanine.xml"));
+            Model m = mc.Import(ResourceHelper.GetStringResource(file));
 
-            // Basic Sanity Checks
+            // Assert
             Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 57, $"Expected 57 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 68, $"Expected 68 Bonds; Got {m.TotalBondsCount}");
+            var molecule = m.Molecules.Values.First();
+            Assert.True(molecule.Atoms.Count == 4, $"Expected 4 Atoms; Got {molecule.Atoms.Count}");
+            Assert.True(molecule.Bonds.Count == 3, $"Expected 3 Bonds; Got {molecule.Bonds.Count}");
 
-            Assert.True(m.Molecules.Values.First().Rings.Count == 12, $"Expected 12 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 12, $"Expected 12 Rings; Got {list.Count}");
+            var atom = molecule.Atoms.Values.ToArray()[1];
+            Assert.True(atom.SymbolText == "N", $"Expected N; Got {atom.SymbolText}");
         }
 
-        [Fact]
-        public void CmlImportCopperPhthalocyanineThenRefresh()
+        [Theory]
+        [InlineData("NoAtoms.xml", 1, 0, 0, 0, 0, 1, 0)]
+        [InlineData("Benzene.xml", 1, 6, 6, 1, 1, 3, 2)]
+        [InlineData("Testosterone.xml", 1, 25, 28, 4, 4, 4, 2)]
+        [InlineData("Phthalocyanine.xml", 1, 58, 66, 9, 8, 2, 3)]
+        [InlineData("CopperPhthalocyanine.xml", 1, 57, 68, 12, 12, 1, 0)]
+        public void CmlImport(string file, int molecules, int atoms, int bonds, int allRings, int placementRings, int names, int formulas)
         {
             CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("CopperPhthalocyanine.xml"));
+            Model model = mc.Import(ResourceHelper.GetStringResource(file));
 
-            // Basic Sanity Checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 57, $"Expected 57 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 68, $"Expected 68 Bonds; Got {m.TotalBondsCount}");
+            Assert.True(model.Molecules.Count == molecules, $"Expected {molecules} Molecules; Got {model.Molecules.Count}");
+            Assert.True(model.TotalAtomsCount == atoms, $"Expected {atoms} Atoms; Got {model.TotalAtomsCount}");
+            Assert.True(model.TotalBondsCount == bonds, $"Expected {bonds} Bonds; Got {model.TotalBondsCount}");
 
-            Assert.True(m.Molecules.Values.First().Rings.Count == 12, $"Expected 12 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 12, $"Expected 12 Rings; Got {list.Count}");
-        }
-
-        [Fact]
-        public void CmlImportPhthalocyanine()
-        {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("Phthalocyanine.xml"));
-
-            // Basic Sanity Checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 58, $"Expected 58 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 66, $"Expected 66 Bonds; Got {m.TotalBondsCount}");
-
-            Assert.True(m.Molecules.Values.First().Rings.Count == 9, $"Expected 9 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 8, $"Expected 8 Rings; Got {list.Count}");
-        }
-
-        [Fact]
-        public void CmlImportPhthalocyanineThenRefresh()
-        {
-            CMLConverter mc = new CMLConverter();
-            Model m = mc.Import(ResourceHelper.GetStringResource("Phthalocyanine.xml"));
-
-            // Basic Sanity Checks
-            Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
-            Assert.True(m.TotalAtomsCount == 58, $"Expected 58 Atoms; Got {m.TotalAtomsCount}");
-            Assert.True(m.TotalBondsCount == 66, $"Expected 66 Bonds; Got {m.TotalBondsCount}");
+            Molecule molecule = model.Molecules.Values.First();
+            Assert.True(molecule.Rings.Count == allRings, $"Expected {allRings} Rings; Got {molecule.Rings.Count}");
+            Assert.True(molecule.Names.Count == names, $"Expected {names} Chemical Names; Got {molecule.Names.Count}");
+            Assert.True(molecule.Formulas.Count == formulas, $"Expected {formulas} Chemical Formulas; Got {molecule.Formulas.Count}");
 
-            Assert.True(m.Molecules.Values.First().Rings.Count == 9, $"Expected 9 Rings; Got {m.Molecules.Values.First().Rings.Count}");
-            var list = m.Molecules.Values.First().SortRingsForDBPlacement();
-            Assert.True(list.Count == 8, $"Expected 8 Rings; Got {list.Count}");
+            var list = molecule.SortRingsForDBPlacement();
+            Assert.True(list.Count == placementRings, $"Expected {placementRings} Placement Rings; Got {list.Count}");
         }
 
         [Fact]
@@ -228,6 +136,7 @@ public void CmlImportExportNested()
             Assert.True(molecule_2.Atoms.Count == 6, $"Expected 6 Atoms; Got {molecule_2.Atoms.Count}");
         }
 
+        // SDFile and MOLFile import
         [Fact]
         public void SdfImportBenzene()
         {
@@ -257,19 +166,13 @@ public void SdfImportBasicParafuchsin()
             Assert.True(m.Molecules.Count == 1, $"Expected 1 Molecule; Got {m.Molecules.Count}");
 
             var mol = m.Molecules.Values.First();
-            Assert.True(mol.Molecules.Count == 2,
-                        $"Expected 2 Child Molecules; Got {mol.Molecules.Count}");
+            Assert.True(mol.Molecules.Count == 2, $"Expected 2 Child Molecules; Got {mol.Molecules.Count}");
             Assert.True(m.TotalAtomsCount == 41, $"Expected 41 Atoms; Got {m.TotalAtomsCount}");
             Assert.True(m.TotalBondsCount == 42, $"Expected 42 Bonds; Got {m.TotalBondsCount}");
 
             // Check that we got three rings
             var mol2 = mol.Molecules.Values.Skip(1).First();
-            Assert.True(mol2.Rings.Count == 3,
-                        $"Expected 3 Rings; Got {mol2.Rings.Count}");
-
-            string molstring = mc.Export(m);
-            mc = new SdFileConverter();
-            Model m2 = mc.Import(molstring);
+            Assert.True(mol2.Rings.Count == 3, $"Expected 3 Rings; Got {mol2.Rings.Count}");
         }
     }
 }
diff --git a/src/Chem4WordTests/Properties/AssemblyInfo.cs b/src/Chem4WordTests/Properties/AssemblyInfo.cs
@@ -35,5 +35,5 @@
 //      Build Number
 //      Revision
 //
-[assembly: AssemblyVersion("3.1.11.7536")]
-[assembly: AssemblyFileVersion("3.1.11.7536")]
+[assembly: AssemblyVersion("3.1.11.7550")]
+[assembly: AssemblyFileVersion("3.1.11.7550")]
diff --git a/src/Chem4WordTests/Resources/CML/Trimethylamine-MinusArrays.xml b/src/Chem4WordTests/Resources/CML/Trimethylamine-MinusArrays.xml
@@ -0,0 +1,13 @@
+<?xml version="1.0" encoding="utf-8" ?>
+<cml:cml xmlns:conventions="http://www.xml-cml.org/convention/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/dictionary/cml/name/" xmlns:c4w="http://www.chem4word.com/cml" conventions="convention:molecular">
+  <cml:molecule id="m1">
+    <cml:formula id="m1.f0" concise="C 3 H 9 N 1" />
+      <cml:atom id="a1" elementType="C" x2="482.679492" y2="390.0" />
+      <cml:atom id="a2" elementType="N" x2="500.0" y2="380.0" />
+      <cml:atom id="a3" elementType="C" x2="517.320508" y2="390.0" />
+      <cml:atom id="a4" elementType="C" x2="500.0" y2="360.0" />
+      <cml:bond id="b1" atomRefs2="a1 a2" order="S" />
+      <cml:bond id="b2" atomRefs2="a2 a3" order="S" />
+      <cml:bond id="b3" atomRefs2="a2 a4" order="S" />
+  </cml:molecule>
+</cml:cml>
diff --git a/src/Chem4WordTests/Resources/CML/Trimethylamine-MinusNamespace.xml b/src/Chem4WordTests/Resources/CML/Trimethylamine-MinusNamespace.xml
@@ -0,0 +1,17 @@
+<?xml version="1.0" encoding="utf-8" ?>
+<cml xmlns:conventions="http://www.xml-cml.org/convention/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/dictionary/cml/name/" xmlns:c4w="http://www.chem4word.com/cml" conventions="convention:molecular">
+  <molecule id="m1">
+    <formula id="m1.f0" concise="C 3 H 9 N 1" />
+    <atomArray>
+      <atom id="a1" elementType="C" x2="482.679492" y2="390.0" />
+      <atom id="a2" elementType="N" x2="500.0" y2="380.0" />
+      <atom id="a3" elementType="C" x2="517.320508" y2="390.0" />
+      <atom id="a4" elementType="C" x2="500.0" y2="360.0" />
+    </atomArray>
+    <bondArray>
+      <bond id="b1" atomRefs2="a1 a2" order="S" />
+      <bond id="b2" atomRefs2="a2 a3" order="S" />
+      <bond id="b3" atomRefs2="a2 a4" order="S" />
+    </bondArray>
+  </molecule>
+</cml>
diff --git a/src/Chem4WordTests/Resources/CML/Trimethylamine-MoleculeRoot.xml b/src/Chem4WordTests/Resources/CML/Trimethylamine-MoleculeRoot.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0" encoding="utf-8" ?>
+  <molecule id="m1" xmlns:cml="http://www.xml-cml.org/schema">
+    <formula id="m1.f0" concise="C 3 H 9 N 1" />
+    <atomArray>
+      <atom id="a1" elementType="C" x2="482.679492" y2="390.0" />
+      <atom id="a2" elementType="N" x2="500.0" y2="380.0" />
+      <atom id="a3" elementType="C" x2="517.320508" y2="390.0" />
+      <atom id="a4" elementType="C" x2="500.0" y2="360.0" />
+    </atomArray>
+    <bondArray>
+      <bond id="b1" atomRefs2="a1 a2" order="S" />
+      <bond id="b2" atomRefs2="a2 a3" order="S" />
+      <bond id="b3" atomRefs2="a2 a4" order="S" />
+    </bondArray>
+  </molecule>
diff --git a/src/Chem4WordTests/Resources/CML/Trimethylamine-Normal.xml b/src/Chem4WordTests/Resources/CML/Trimethylamine-Normal.xml
@@ -0,0 +1,17 @@
+<?xml version="1.0" encoding="utf-8" ?>
+<cml:cml xmlns:conventions="http://www.xml-cml.org/convention/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/dictionary/cml/name/" xmlns:c4w="http://www.chem4word.com/cml" conventions="convention:molecular">
+  <cml:molecule id="m1">
+    <cml:formula id="m1.f0" concise="C 3 H 9 N 1" />
+    <cml:atomArray>
+      <cml:atom id="a1" elementType="C" x2="482.679492" y2="390.0" />
+      <cml:atom id="a2" elementType="N" x2="500.0" y2="380.0" />
+      <cml:atom id="a3" elementType="C" x2="517.320508" y2="390.0" />
+      <cml:atom id="a4" elementType="C" x2="500.0" y2="360.0" />
+    </cml:atomArray>
+    <cml:bondArray>
+      <cml:bond id="b1" atomRefs2="a1 a2" order="S" />
+      <cml:bond id="b2" atomRefs2="a2 a3" order="S" />
+      <cml:bond id="b3" atomRefs2="a2 a4" order="S" />
+    </cml:bondArray>
+  </cml:molecule>
+</cml:cml>