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48 lines
1.0 KiB
C#
48 lines
1.0 KiB
C#
using GraphMolWrap;
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using Xunit;
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namespace RdkitTests
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{
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public class MolEnumeratorTest
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{
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[Fact]
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public void TestEnumerator()
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{
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var block = @"
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Mrv2008 07102308312D
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0 0 0 0 0 999 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 10 8 0 0 0
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M V30 BEGIN ATOM
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M V30 1 C -4.2917 4.9984 0 0
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M V30 2 C -5.6253 4.2284 0 0
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M V30 3 C -5.6253 2.6883 0 0
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M V30 4 C -4.2917 1.9183 0 0
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M V30 5 C -2.958 2.6883 0 0
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M V30 6 C -2.958 4.2284 0 0
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M V30 7 * -3.6248 4.6134 0 0
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M V30 8 Cl -3.6248 6.9234 0 0
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M V30 9 * -5.6253 3.4583 0 0
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M V30 10 Cl -7.2521 3.4583 0 0
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M V30 END ATOM
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M V30 BEGIN BOND
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M V30 1 1 1 2
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M V30 2 2 2 3
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M V30 3 1 3 4
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M V30 4 2 4 5
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M V30 5 1 5 6
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M V30 6 2 1 6
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M V30 7 1 7 8 ENDPTS=(2 1 6) ATTACH=ANY
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M V30 8 1 9 10 ENDPTS=(2 2 3) ATTACH=ANY
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M V30 END BOND
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M V30 END CTAB
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M END
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";
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var mol = RWMol.MolFromMolBlock(block);
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var bundle = RDKFuncs.enumerate(mol);
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Assert.Equal(4U, bundle.size());
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}
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}
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} |