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JensKrumsieck/ChemSharp

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Showing 28 of 30 total issues

Similar blocks of code found in 3 locations. Consider refactoring.
Open

            if (exp)
            {
                line.Append(spc.XYData[i].X.ToInvariantString() + separator);
                line.Append(spc.XYData[i].Y.ToInvariantString() + separator);
            }
Severity: Major
Found in ChemSharp.Spectroscopy/Export/CSVExporter.cs and 2 other locations - About 45 mins to fix
ChemSharp.Spectroscopy/Export/CSVExporter.cs on lines 45..49
ChemSharp.Spectroscopy/Export/CSVExporter.cs on lines 51..55

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 75.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Similar blocks of code found in 3 locations. Consider refactoring.
Open

            if (deriv)
            {
                line.Append(spc.Derivative[i].X.ToInvariantString() + separator);
                line.Append(spc.Derivative[i].Y.ToInvariantString() + separator);
            }
Severity: Major
Found in ChemSharp.Spectroscopy/Export/CSVExporter.cs and 2 other locations - About 45 mins to fix
ChemSharp.Spectroscopy/Export/CSVExporter.cs on lines 39..43
ChemSharp.Spectroscopy/Export/CSVExporter.cs on lines 51..55

Duplicated Code

Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

Tuning

This issue has a mass of 75.

We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

Refactorings

Further Reading

Method ConversionMatrix has 6 arguments (exceeds 4 allowed). Consider refactoring.
Open

    public static Matrix4x4 ConversionMatrix(float a, float b, float c, float alpha, float beta, float gamma)
Severity: Minor
Found in ChemSharp/Mathematics/FractionalCoordinates.cs - About 45 mins to fix

    Similar blocks of code found in 2 locations. Consider refactoring.
    Open

            var e1 = MathF.Pow(p1.Normal.X, 2) + MathF.Pow(p1.Normal.Y, 2) + MathF.Pow(p1.Normal.Z, 2);
    Severity: Minor
    Found in ChemSharp/Mathematics/VectorMath.cs and 1 other location - About 45 mins to fix
    ChemSharp/Mathematics/VectorMath.cs on lines 84..84

    Duplicated Code

    Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

    Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

    When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

    Tuning

    This issue has a mass of 73.

    We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

    The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

    If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

    See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

    Refactorings

    Further Reading

    Similar blocks of code found in 2 locations. Consider refactoring.
    Open

            var e2 = MathF.Pow(p2.Normal.X, 2) + MathF.Pow(p2.Normal.Y, 2) + MathF.Pow(p2.Normal.Z, 2);
    Severity: Minor
    Found in ChemSharp/Mathematics/VectorMath.cs and 1 other location - About 45 mins to fix
    ChemSharp/Mathematics/VectorMath.cs on lines 83..83

    Duplicated Code

    Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

    Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

    When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

    Tuning

    This issue has a mass of 73.

    We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

    The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

    If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

    See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

    Refactorings

    Further Reading

    Similar blocks of code found in 2 locations. Consider refactoring.
    Open

                        var g5Value = value * (m.Groups[5].Success && m.Groups[5].Value != ""
                        ? Convert.ToDouble(m.Groups[5].Value, ci)
                        : 1d);
    Severity: Minor
    Found in ChemSharp.Molecules/Extensions/SumFormulaUtil.cs and 1 other location - About 35 mins to fix
    ChemSharp.Molecules/Extensions/SumFormulaUtil.cs on lines 67..69

    Duplicated Code

    Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

    Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

    When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

    Tuning

    This issue has a mass of 64.

    We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

    The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

    If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

    See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

    Refactorings

    Further Reading

    Similar blocks of code found in 2 locations. Consider refactoring.
    Open

                    var g2Value = m.Groups[2].Success && m.Groups[2].Value != ""
                    ? Convert.ToDouble(m.Groups[2].Value, ci)
                    : 1d;
    Severity: Minor
    Found in ChemSharp.Molecules/Extensions/SumFormulaUtil.cs and 1 other location - About 35 mins to fix
    ChemSharp.Molecules/Extensions/SumFormulaUtil.cs on lines 86..88

    Duplicated Code

    Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

    Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

    When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

    Tuning

    This issue has a mass of 64.

    We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

    The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

    If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

    See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

    Refactorings

    Further Reading

    Similar blocks of code found in 3 locations. Consider refactoring.
    Open

        public static void Export(Molecule mol, string filename)
    {
        var exporter = new PDBExporter();
        using var stream = File.Create(filename);
        exporter.Export(mol, stream);
    Severity: Minor
    Found in ChemSharp.Molecules/Export/PDBExporter.cs and 2 other locations - About 35 mins to fix
    ChemSharp.Molecules/Export/Mol2Exporter.cs on lines 11..16
    ChemSharp.Molecules/Export/XYZExporter.cs on lines 11..16

    Duplicated Code

    Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

    Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

    When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

    Tuning

    This issue has a mass of 63.

    We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

    The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

    If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

    See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

    Refactorings

    Further Reading

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