| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | ASTPrimitiveAtomExpression.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | Node.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTAtomicMass.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTAtomicNumber.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTHybrdizationNumber.java | 3 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTImplicitHCount.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTNotBond.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTTotalHCount.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTNotExpression.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTSmallestRingSize.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTValence.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTRingIdentifier.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTSimpleBond.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTTotalConnectivity.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTExplicitConnectivity.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| H A D | ASTPeriodicGroupNumber.java | 3 package org.openscience.cdk.smiles.smarts.parser;
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | SmartsMatchers.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | AnyAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | TotalRingConnectionAtom.java | 24 package org.openscience.cdk.isomorphism.matchers.smarts;
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
| H A D | UllmannSubstructureTest.java | 25 package org.openscience.cdk.smarts;
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| H A D | VFSubstructureTest.java | 25 package org.openscience.cdk.smarts;
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SmilesParse/ |
| H A D | SmilesParse.cpp | 446 RWMol *SmartsToMol(const std::string &smarts, int debugParse, bool mergeHs, in SmartsToMol() argument
460 sma = smarts; in SmartsToMol()
477 res = toMol(labelRecursivePatterns(smarts), smarts_parse, smarts); in SmartsToMol()
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| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-File-SMARTS-0.22/t/ |
| H A D | atom_map.t | 6 my $s = Chemistry::Pattern->parse('C(=[O:1])[O:2]C', format => 'smarts');
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| /dports/science/p5-Chemistry-File-SMARTS/Chemistry-File-SMARTS-0.22/t/ |
| H A D | atom_map.t | 6 my $s = Chemistry::Pattern->parse('C(=[O:1])[O:2]C', format => 'smarts');
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolDraw2D/Wrap/ |
| H A D | testMolDraw2D.py | 546 def do_a_picture(smi, smarts, label): argument
557 for i, smt in enumerate(smarts):
573 smarts = ['CONN', 'N#CC~CO', 'C=CON', 'CONNCN']
574 txt = do_a_picture(smi, smarts, 'pyTest2')
583 smarts = []
584 do_a_picture(smi, smarts, 'pyTest3')
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