Searched defs:doubleBonds (Results 1 – 12 of 12) sorted by relevance
| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/utilities/resdata/ |
| H A D | resdataparse.cxx | 117 vector<pair<string, string>> singleBonds, doubleBonds; in main() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/utilities/resdata/ |
| H A D | resdataparse.cxx | 117 vector<pair<string, string>> singleBonds, doubleBonds; in main() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | residuedata.h | 23 std::vector<std::pair<std::string, std::string>> doubleBonds) in ResidueData()
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | residuedata.h | 23 std::vector<std::pair<std::string, std::string>> doubleBonds) in ResidueData()
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| /dports/science/coordgenlibs/coordgenlibs-3.0.0/ |
| H A D | sketcherMinimizerRing.cpp | 66 int doubleBonds = 0; in isAromatic() local
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| H A D | CoordgenMacrocycleBuilder.h | 97 std::vector<doubleBondConstraint> doubleBonds; member
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| /dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/ |
| H A D | sketcherMinimizerRing.cpp | 66 int doubleBonds = 0; in isAromatic() local
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| H A D | CoordgenMacrocycleBuilder.h | 97 std::vector<doubleBondConstraint> doubleBonds; member
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | kekulize.cpp | 61 OBBitVec *doubleBonds; member in OpenBabel::Kekulizer
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| /dports/science/cdk/cdk-cdk-2.3/tool/forcefield/src/main/java/org/openscience/cdk/forcefield/mmff/ |
| H A D | MmffAromaticTypeMapping.java | 92 int[] doubleBonds = new int[graph.length]; in assign() local
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| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/atomtype/ |
| H A D | CDKAtomTypeMatcher.java | 847 int doubleBonds = countAttachedDoubleBonds(connectedBonds, atom); in perceiveNitrogens() local
1346 int doubleBonds = countAttachedDoubleBonds(connectedBonds, atom); in perceivePhosphors() local
1372 int doubleBonds = countAttachedDoubleBonds(connectedBonds, atom); in perceivePhosphors() local
2094 int doubleBonds = countAttachedDoubleBonds(connectedBonds, atom); in perceiveChlorine() local
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | SmartsQueryVisitor.java | 129 private List<IBond> doubleBonds = new ArrayList<IBond>(); field in SmartsQueryVisitor
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