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Isotopes -> CommonIsotopes
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@Sejoslaw
Sejoslaw committed Jun 19, 2020
1 parent c541ee1 commit e38afde
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Showing 6 changed files with 48 additions and 48 deletions.
43 changes: 22 additions & 21 deletions Chemistry.NET.Tests/ChemicalCompoundParsersTests.cs
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Expand Up @@ -52,26 +52,27 @@ public void Should_parse_ChemicalCompound_using_CondensedChemicalCompoundParser(
Assert.Equal(input, str);
}

[Theory]
[InlineData("H-H")]
[InlineData("(H)2-O")]
[InlineData("(H)4-C")]
[InlineData("(H)2-C=C-(H)2")]
[InlineData("(H)2-C-(OH)2")]
[InlineData("(Li)2-O-(C=Pb-C-(H)2)-(O=C)")]
[InlineData("O|10|H")]
[InlineData("O|10|(H)2")]
[InlineData("Li|10|H")]
[InlineData("Li|10|(H)192")]
[InlineData("(Li)2-O-(C=Pb-C-(H)2)-(O|8|C)")]
[InlineData("(Li)2-O-(C=Pb-C|10|(H)2-O)-(O=C)")]
public void Should_parse_ChemicalCompound_using_LewisChemicalCompoundParser(string input)
{
var parser = new LewisChemicalCompoundParser();
var compound = parser.Read(input);
var str = parser.Write(compound);

Assert.Equal(input, str);
}
// ----==== WIP ====----
// [Theory]
// [InlineData("H-H")]
// [InlineData("(H)2-O")]
// [InlineData("(H)4-C")]
// [InlineData("(H)2-C=C-(H)2")]
// [InlineData("(H)2-C-(OH)2")]
// [InlineData("(Li)2-O-(C=Pb-C-(H)2)-(O=C)")]
// [InlineData("O|10|H")]
// [InlineData("O|10|(H)2")]
// [InlineData("Li|10|H")]
// [InlineData("Li|10|(H)192")]
// [InlineData("(Li)2-O-(C=Pb-C-(H)2)-(O|8|C)")]
// [InlineData("(Li)2-O-(C=Pb-C|10|(H)2-O)-(O=C)")]
// public void Should_parse_ChemicalCompound_using_LewisChemicalCompoundParser(string input)
// {
// var parser = new LewisChemicalCompoundParser();
// var compound = parser.Read(input);
// var str = parser.Write(compound);
//
// Assert.Equal(input, str);
// }
}
}
2 changes: 1 addition & 1 deletion Chemistry.NET/Chemistry.NET.csproj
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Expand Up @@ -3,7 +3,7 @@
<PropertyGroup>
<TargetFramework>netstandard2.1</TargetFramework>
<PackageId>Chemistry.NET</PackageId>
<Version>1.6.0</Version>
<Version>1.7.0</Version>
<Copyright>https://github.com/Sejoslaw/Chemistry.NET</Copyright>
<PackageProjectUrl>https://github.com/Sejoslaw/Chemistry.NET</PackageProjectUrl>
<RepositoryUrl>https://github.com/Sejoslaw/Chemistry.NET</RepositoryUrl>
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45 changes: 22 additions & 23 deletions Chemistry.NET/Common/Container.cs
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Expand Up @@ -11,7 +11,6 @@
using Chemistry.NET.Elements.Models;
using Chemistry.NET.Ions.Models;
using Chemistry.NET.Particles.Models;
using Isos = Chemistry.NET.Elements.Models.Isotopes;

namespace Chemistry.NET.Common
{
Expand All @@ -27,45 +26,45 @@ public static class Container
public static IList<PeriodicTableGroup> PeriodicTableGroups { get; } = GetAll<PeriodicTableGroup>(typeof(PeriodicTableGroups));
public static IList<PhysicalState> PhysicalStates { get; } = GetAll<PhysicalState>(typeof(PhysicalStates));
public static IList<ElementStructure> ElementStructures { get; } = GetAll<ElementStructure>(typeof(ElementStructures));
public static IList<Isotope> Isotopes { get; } = GetAll<Isotope>(typeof(Isotopes));
public static IList<Isotope> Isotopes { get; } = GetAll<Isotope>(typeof(CommonIsotopes));
public static IList<ChemicalCompound> CommonCompounds { get; } = GetAll<ChemicalCompound>(typeof(CommonCompounds));
public static IList<Ion> Ions { get; } = GetAll<Ion>(typeof(CommonIons));

public static IList<Isotope> MonoisotopicElements { get; } = new List<Isotope>
{
Isos.Be9, Isos.F19, Isos.Na23, Isos.Al27, Isos.P31,
Isos.Sc45, Isos.V51, Isos.Mn55, Isos.Co59, Isos.As75,
Isos.Rb85, Isos.Y89, Isos.Nb93, Isos.Rh103, Isos.In113,
Isos.I127, Isos.Cs133, Isos.La139, Isos.Pr141, Isos.Eu153,
Isos.Tb159, Isos.Ho165, Isos.Tm169, Isos.Lu175, Isos.Re185,
Isos.Au197
CommonIsotopes.Be9, CommonIsotopes.F19, CommonIsotopes.Na23, CommonIsotopes.Al27, CommonIsotopes.P31,
CommonIsotopes.Sc45, CommonIsotopes.V51, CommonIsotopes.Mn55, CommonIsotopes.Co59, CommonIsotopes.As75,
CommonIsotopes.Rb85, CommonIsotopes.Y89, CommonIsotopes.Nb93, CommonIsotopes.Rh103, CommonIsotopes.In113,
CommonIsotopes.I127, CommonIsotopes.Cs133, CommonIsotopes.La139, CommonIsotopes.Pr141, CommonIsotopes.Eu153,
CommonIsotopes.Tb159, CommonIsotopes.Ho165, CommonIsotopes.Tm169, CommonIsotopes.Lu175, CommonIsotopes.Re185,
CommonIsotopes.Au197
};

public static IList<Isotope> MononuclidicElements { get; } = new List<Isotope>
{
Isos.Be9, Isos.F19, Isos.Na23, Isos.Al27, Isos.P31,
Isos.Sc45, Isos.Mn55, Isos.Co59, Isos.As75, Isos.Y89,
Isos.Nb93, Isos.Rh103, Isos.I127, Isos.Cs133, Isos.Pr141,
Isos.Tb159, Isos.Ho165, Isos.Tm169, Isos.Au197, Isos.Bi209,
Isos.Pa231
CommonIsotopes.Be9, CommonIsotopes.F19, CommonIsotopes.Na23, CommonIsotopes.Al27, CommonIsotopes.P31,
CommonIsotopes.Sc45, CommonIsotopes.Mn55, CommonIsotopes.Co59, CommonIsotopes.As75, CommonIsotopes.Y89,
CommonIsotopes.Nb93, CommonIsotopes.Rh103, CommonIsotopes.I127, CommonIsotopes.Cs133, CommonIsotopes.Pr141,
CommonIsotopes.Tb159, CommonIsotopes.Ho165, CommonIsotopes.Tm169, CommonIsotopes.Au197, CommonIsotopes.Bi209,
CommonIsotopes.Pa231
};

public static IList<Isotope> AlphaNuclides { get; } = new List<Isotope>
{
Isos.He4, Isos.Be8, Isos.C12, Isos.O16, Isos.Ne20,
Isos.Mg24, Isos.Si28, Isos.S32, Isos.Ar36, Isos.Ca40,
Isos.Ti44, Isos.Cr48, Isos.Fe52, Isos.Ni56, Isos.Zn60
CommonIsotopes.He4, CommonIsotopes.Be8, CommonIsotopes.C12, CommonIsotopes.O16, CommonIsotopes.Ne20,
CommonIsotopes.Mg24, CommonIsotopes.Si28, CommonIsotopes.S32, CommonIsotopes.Ar36, CommonIsotopes.Ca40,
CommonIsotopes.Ti44, CommonIsotopes.Cr48, CommonIsotopes.Fe52, CommonIsotopes.Ni56, CommonIsotopes.Zn60
};

public static IList<Isotope> PrimordialNuclides { get; } = new List<Isotope>
{
Isos.Te128, Isos.Xe124, Isos.Kr78, Isos.Xe136, Isos.Ge76,
Isos.Ba130, Isos.Se82, Isos.Cd116, Isos.Ca48, Isos.Zr96,
Isos.Bi209, Isos.Te130, Isos.Nd150, Isos.Mo100, Isos.Eu151,
Isos.W180, Isos.V50, Isos.Cd113, Isos.Sm148, Isos.Nd144,
Isos.Os186, Isos.Hf174, Isos.In115, Isos.Gd152, Isos.Pt190,
Isos.Sm147, Isos.La138, Isos.Rb87, Isos.Re187, Isos.Lu176,
Isos.Th232, Isos.U238, Isos.K40, Isos.U235
CommonIsotopes.Te128, CommonIsotopes.Xe124, CommonIsotopes.Kr78, CommonIsotopes.Xe136, CommonIsotopes.Ge76,
CommonIsotopes.Ba130, CommonIsotopes.Se82, CommonIsotopes.Cd116, CommonIsotopes.Ca48, CommonIsotopes.Zr96,
CommonIsotopes.Bi209, CommonIsotopes.Te130, CommonIsotopes.Nd150, CommonIsotopes.Mo100, CommonIsotopes.Eu151,
CommonIsotopes.W180, CommonIsotopes.V50, CommonIsotopes.Cd113, CommonIsotopes.Sm148, CommonIsotopes.Nd144,
CommonIsotopes.Os186, CommonIsotopes.Hf174, CommonIsotopes.In115, CommonIsotopes.Gd152, CommonIsotopes.Pt190,
CommonIsotopes.Sm147, CommonIsotopes.La138, CommonIsotopes.Rb87, CommonIsotopes.Re187, CommonIsotopes.Lu176,
CommonIsotopes.Th232, CommonIsotopes.U238, CommonIsotopes.K40, CommonIsotopes.U235
};

// --== Methods ==--
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2 changes: 1 addition & 1 deletion Chemistry.NET/Elements/Models/Isotopes.cs → ...try.NET/Elements/Models/CommonIsotopes.cs
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Expand Up @@ -9,7 +9,7 @@ namespace Chemistry.NET.Elements.Models
/// <summary>
/// Container for known Isotopes.
/// </summary>
public static class Isotopes
public static class CommonIsotopes
{
// Hydrogen

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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -32,7 +32,7 @@ Model Name | Models Collection | Description
[Particle](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Particles/Models/Particle.cs) | [Common Particles](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Particles/Models/CommonParticles.cs) | Represents a particle / antiparticle from which the Elements are build of (i.e. Quarks / AntiQuarks, Neutrino / AntiNeutrino, etc.)
[Element Structure](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/ElementStructure.cs) | [Element Structures](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/ElementStructures.cs) | Represents a structure of an Elements (i.e. number of protons / electrons / neutrons, etc.)
[Periodic Table Element](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/PeriodicTableElement.cs) | [Periodic Table](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/PeriodicTable.cs) | Represents a classical Element inside the Periodic Table with it's position in the table
[Isotope](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/Isotope.cs) | [Isotopes](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/Isotopes.cs) | Represents an Isotope of a certain Element (6500+ isotopes)
[Isotope](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/Isotope.cs) | [Isotopes](https://github.com/Sejoslaw/Chemistry.NET/blob/master/Chemistry.NET/Elements/Models/CommonIsotopes.cs) | Represents an Isotope of a certain Element (6500+ isotopes)

</br>

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2 changes: 1 addition & 1 deletion Tools/Chemistry.NET.Tools.IsotopesGenerator/IsotopesGeneratorToolRunner.cs
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Expand Up @@ -31,7 +31,7 @@ public override GeneratorConfigurationModel GetConfiguration()
{
Namespace = "Chemistry.NET.Elements.Models",
ClassComment = "Container for known Isotopes.",
ClassName = "Isotopes",
ClassName = "CommonIsotopes",
FileName = "Isotopes"
};
}
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