| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | PeriodicGroupNumberAtom.java | 24 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | AnyOrderQueryBond.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | FormalChargeAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | ImplicitHCountAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | SMARTSAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | AromaticQueryBond.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | HydrogenAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | RingIdentifierAtom.java | 18 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | ChiralityAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | OrderQueryBond.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | AromaticOrSingleQueryBond.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | SMARTSBond.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | HybridizationNumberAtom.java | 24 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | StereoBond.java | 18 package org.openscience.cdk.isomorphism.matchers.smarts;
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | ASTLowAndExpression.java | 18 package org.openscience.cdk.smiles.smarts.parser;
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/test/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | SmallestRingAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | TotalValencyAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | ExplicitConnectionAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | TotalConnectionAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | TotalRingConnectionAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | AnyOrderQueryBondTest.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/shapespecial/ |
| H A D | Polyhedron.java | 55 public String smiles, smarts, polySmiles; field in Polyhedron
332 if (smarts != null) in getInfo()
333 info.put("smarts", smarts); in getInfo()
380 if (smarts == null) { in getSymmetry()
388 smarts = sm.polyhedronToSmiles(centralAtom, faces, nVertices, null, in getSymmetry()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/Demos/RDKit/Basement/xpcom/ |
| H A D | IRDKit.idl | 8 unsigned long GetSmartsMatchCount(in string smarts);
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Docs/Book_jp/ |
| H A D | The_RDKit_Book_jp.rst | 169 [`SMARTS Support and Extensions <https://www.rdkit.org/docs/RDKit_Book.html#smarts-support-and-exte…
171 RDKitはDaylight SMARTS [#smarts]_ の標準的な特徴のほとんどと、いくつかの有用な拡張をカバーしています。
253 [`Reaction SMARTS <https://www.rdkit.org/docs/RDKit_Book.html#reaction-smarts>`__]
255 SMIRKS [#smirks]_ でもなく、SMILES [#smiles]_ でもなく、SMARTS [#smarts]_ から派生したものです。
465 …学的特徴（フィーチャー）のセットを定義するのに必要な情報を全て含みます。DaylightのSMARTS言語を使って構築されたクエリーから定義された特徴のタイプの定義を含みます。 [#smarts]_
612 SMARTSから導かれたクエリと部分構造のマッチングを行うときに、分子のどの原子がクエリのどの原子にマッチするべきかのルールが十分に定義されます。 [#smarts]_
901 .. [#smarts] http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/isomorphism/ |
| H A D | HydrogenSuppressionTest.java | 30 import org.openscience.cdk.smarts.Smarts;
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