| /dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/aromaticity/ |
| H A D | ElectronDonation.java | 62 public abstract class ElectronDonation { class
97 public static ElectronDonation cdk() { in cdk()
122 public static ElectronDonation cdkAllowingExocyclic() { in cdkAllowingExocyclic()
135 public static ElectronDonation piBonds() { in piBonds()
166 public static ElectronDonation daylight() { in daylight()
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| H A D | Aromaticity.java | 103 private final ElectronDonation model;
153 public Aromaticity(ElectronDonation model, CycleFinder cycles) { in Aromaticity()
321 …private static final Aromaticity CDK_LEGACY = new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAr…
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| H A D | PiBondModel.java | 42 final class PiBondModel extends ElectronDonation {
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| H A D | AtomTypeModel.java | 56 final class AtomTypeModel extends ElectronDonation {
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| H A D | DaylightModel.java | 68 final class DaylightModel extends ElectronDonation {
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| /dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/aromaticity/ |
| H A D | AromaticityTest.java | 49 private final Aromaticity cdk = new Aromaticity(ElectronDonation.cdk(), Cycles.all());
50 …private final Aromaticity cdkExo = new Aromaticity(ElectronDonation.cdkAllowingExocyclic(), Cycl…
51 private final Aromaticity daylight = new Aromaticity(ElectronDonation.daylight(), Cycles.all());
161 Aromaticity arom = new Aromaticity(ElectronDonation.daylight(), in ensureConsistentRepresentation()
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| H A D | AtomTypeModelTest.java | 48 private static ElectronDonation model = ElectronDonation.cdk();
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| H A D | ExocyclicAtomTypeModelTest.java | 48 private static ElectronDonation model = ElectronDonation.cdkAllowingExocyclic();
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| H A D | PiBondModelTest.java | 47 private static ElectronDonation model = ElectronDonation.piBonds();
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| H A D | DaylightModelTest.java | 48 private static ElectronDonation model = ElectronDonation.daylight();
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/test/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | RecursiveTest.java | 32 import org.openscience.cdk.aromaticity.ElectronDonation;
339 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testRecursiveSmarts26_cdkAromaticModel()
350 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testRecursiveSmarts27_cdkAromaticModel()
379 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testRecursive28_cdkAromaticModel()
405 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testRecursive29_cdkAromaticModel()
420 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testBasicAmineOnDrugs_cdkAromaticModel()
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| H A D | SMARTSSearchTest.java | 34 import org.openscience.cdk.aromaticity.ElectronDonation;
1371 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.cdkAromaticSet())); in testLogicalOrLowAnd6_cdkAromaticity()
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/ |
| H A D | SmartsPattern.java | 27 import org.openscience.cdk.aromaticity.ElectronDonation;
90 private static final Aromaticity arom = new Aromaticity(ElectronDonation.daylight(),
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| H A D | SMARTSQueryTool.java | 25 import org.openscience.cdk.aromaticity.ElectronDonation;
180 private Aromaticity aromaticity = new Aromaticity(ElectronDonation.daylight(),
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
| H A D | SmartsPattern.java | 28 import org.openscience.cdk.aromaticity.ElectronDonation;
86 private static final Aromaticity arom = new Aromaticity(ElectronDonation.daylight(),
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/main/java/org/openscience/cdk/fingerprint/ |
| H A D | LingoFingerprinter.java | 27 import org.openscience.cdk.aromaticity.ElectronDonation;
60 private final Aromaticity aromaticity = new Aromaticity(ElectronDonation.daylight(),
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/test/java/org/openscience/cdk/smiles/smarts/ |
| H A D | SMARTSQueryToolTest.java | 33 import org.openscience.cdk.aromaticity.ElectronDonation;
225 sqt.setAromaticity(new Aromaticity(ElectronDonation.cdk(), Cycles.mcb())); in setAromaticity()
228 sqt.setAromaticity(new Aromaticity(ElectronDonation.piBonds(), Cycles.mcb())); in setAromaticity()
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
| H A D | DfSubstructureTest.java | 28 import org.openscience.cdk.aromaticity.ElectronDonation;
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/test/java/org/openscience/cdk/qsar/descriptors/molecular/ |
| H A D | XLogPDescriptorTest.java | 27 import org.openscience.cdk.aromaticity.ElectronDonation;
296 Aromaticity aromaticity = new Aromaticity(ElectronDonation.daylight(), Cycles.all()); in testAromaticBenzene()
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| /dports/science/cdk/cdk-cdk-2.3/tool/pcore/src/main/java/org/openscience/cdk/pharmacophore/ |
| H A D | PharmacophoreMatcher.java | 36 import org.openscience.cdk.aromaticity.ElectronDonation;
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/test/java/org/openscience/cdk/smiles/ |
| H A D | SmilesGeneratorTest.java | 33 import org.openscience.cdk.aromaticity.ElectronDonation;
1325 Aromaticity arom = new Aromaticity(ElectronDonation.daylight(), in canon()
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