| /dports/science/cdk/cdk-cdk-2.3/legacy/src/test/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | TotalHCountAtomTest.java | 1 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | RingMembershipAtomTest.java | 25 package org.openscience.cdk.isomorphism.matchers.smarts;
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/ |
| H A D | EStateFingerprinter.java | 28 import org.openscience.cdk.smarts.SmartsPattern;
|
| /dports/news/cg/cg-0.4/ |
| H A D | TODO | 26 more smarts in ignoring pointless descriptions
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/smarts/ |
| H A D | ReactionRoleQueryAtom.java | 23 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | LogicalOperatorBond.java | 18 package org.openscience.cdk.isomorphism.matchers.smarts;
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| H A D | RecursiveSmartsAtom.java | 19 package org.openscience.cdk.isomorphism.matchers.smarts;
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| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | patty.h | 40 std::vector<std::string> smarts; variable
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | Crippen.h | 83 std::string smarts; variable
|
| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-File-SMARTS-0.22/t/ |
| H A D | SMARTS.t | 25 $patt = Chemistry::Pattern->parse($patt_str, format => "smarts");
|
| /dports/science/p5-Chemistry-File-SMARTS/Chemistry-File-SMARTS-0.22/t/ |
| H A D | SMARTS.t | 25 $patt = Chemistry::Pattern->parse($patt_str, format => "smarts");
|
| /dports/science/p5-PerlMol/PerlMol-0.3500/examples/file_conversion/ |
| H A D | README | 31 smarts
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolChemicalFeatures/ |
| H A D | MolChemicalFeatureDef.h | 30 MolChemicalFeatureDef(const std::string &smarts, std::string family,
|
| /dports/science/p5-Chemistry-File-SMARTS/Chemistry-File-SMARTS-0.22/ |
| H A D | README | 8 http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html
|
| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-File-SMARTS-0.22/ |
| H A D | README | 8 http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html
|
| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
| H A D | DfSubstructureTest.java | 24 package org.openscience.cdk.smarts;
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/api/ |
| H A D | SmilesMatcherInterface.java | 49 public abstract void getMMFF94AtomTypes(String[] smarts, Node[] atoms, int ac, in getMMFF94AtomTypes() argument
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FilterCatalog/ |
| H A D | FilterCatalogEntry.cpp | 83 ROMOL_SPTR pattern(SmartsToMol(data.smarts, debugParse, mergeHs)); in MakeFilterCatalogEntry()
|
| /dports/misc/smssend/smssend-3.6/scripts/ |
| H A D | Makefile.am | 5 …uick.sms rekom.sms rogers.sms room33.sms scs-900.sms sfr.sms simobil.sms smarts.sms sms_ac.sms sms…
7 …uick.sms rekom.sms rogers.sms room33.sms scs-900.sms sfr.sms simobil.sms smarts.sms sms_ac.sms sms…
|
| /dports/textproc/p5-Text-Context-EitherSide/Text-Context-EitherSide-1.4/ |
| H A D | README | 44 so you need a small amount of smarts. This module has a small amount of
45 smarts.
|
| /dports/www/p5-HTML-GenerateUtil/HTML-GenerateUtil-1.20/ |
| H A D | Changes | 4 - Add $E object with escaping by default and other smarts
|
| /dports/science/cdk/cdk-cdk-2.3/descriptor/fingerprint/src/test/java/org/openscience/cdk/fingerprint/ |
| H A D | EStateFingerprinterTest.java | 31 import org.openscience.cdk.smarts.SmartsPattern;
|
| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/ |
| H A D | SmartsStereoMatch.java | 37 import org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom;
38 import org.openscience.cdk.isomorphism.matchers.smarts.StereoBond;
|
| /dports/games/fs2open/fs2open.github.com-release_21_4_1/cmake/external/rpavlik-cmake-modules/ |
| H A D | SearchProgramFilesForOpenSceneGraph.cmake | 1 # - Use some smarts to try to find OpenSceneGraph in the Program Files dirs
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemTransforms/ |
| H A D | testChemTransforms.cpp | 662 const char *smarts; member
737 ROMOL_SPTR smarts(SmartsToMol(tests[i].smarts)); in testReplaceCore2() local
738 ROMOL_SPTR res(replaceCore(*mol.get(), *smarts.get(), in testReplaceCore2()
746 std::cerr << i << " " << tests[i].smiles << " " << tests[i].smarts in testReplaceCore2()
763 bool matchFound = SubstructMatch(*mol.get(), *smarts.get(), matchV, in testReplaceCore2()
766 res = ROMOL_SPTR(replaceCore(*mol.get(), *smarts.get(), matchV, in testReplaceCore2()
774 std::cerr << i << " " << tests[i].smiles << " " << tests[i].smarts in testReplaceCore2()
966 const char *smarts = "*C1C(*)C1*"; in testReplaceCoreMatchVect() local
968 ROMOL_SPTR query(SmartsToMol(smarts)); in testReplaceCoreMatchVect()
|