| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/ |
| H A D | MorganFingerprints.h | 12 std::vector<std::uint32_t> *invars = variable
19 delete invars; variable
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| /dports/science/dynare/dynare-4.6.4/matlab/ |
| H A D | smoother2histval.m | 131 invars = opts.invars; variable
133 invars = cellstr(invars); variable
136 invars = [tmp; tmpexo]; variable
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Fingerprints/ |
| H A D | testFingerprintGenerators.cpp | 960 std::vector<std::uint32_t> *invars = invGen->getAtomInvariants(*mol); in testMorganFPFeatureInvs() local
977 std::vector<std::uint32_t> *invars = invGen->getAtomInvariants(*mol); in testMorganFPFeatureInvs() local
1029 std::vector<std::uint32_t> invars(3); in testMorganFPOptions() local
1847 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
1877 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
1907 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
1935 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
1965 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
1994 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
2025 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
[all …]
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| H A D | test1.cpp | 1159 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in test4MorganFPs() local
1174 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in test4MorganFPs() local
1216 std::vector<std::uint32_t> invars(3); in test5MorganFPs() local
2008 UINT_VECT invars(6, 1); in testRDKitFPOptions() local
2026 UINT_VECT invars(6, 1); in testRDKitFPOptions() local
2062 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
2091 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
2120 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
2149 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
2179 UINT_VECT invars(6, 1); in testPairsAndTorsionsOptions() local
[all …]
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| H A D | FingerprintUtil.cpp | 226 void getFeatureInvariants(const ROMol &mol, std::vector<uint32_t> &invars, in getFeatureInvariants()
259 void getConnectivityInvariants(const ROMol &mol, std::vector<uint32_t> &invars, in getConnectivityInvariants()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ |
| H A D | FindRings.cpp | 157 RINGINVAR_SET &invars, const INT_INT_VECT_MAP dupMap, in findSSSRforDupCands()
315 RINGINVAR_SET &invars, const INT_VECT &d2nodes, in findRingsD2nodes()
417 RINGINVAR_SET &invars, int cand, INT_VECT &atomDegrees, in findRingsD3Node()
767 INT_VECT &res, RINGINVAR_SET &invars) { in _atomSearchBFS()
823 VECT_INT_VECT &res, RINGINVAR_SET &invars, in findRingConnectingAtoms()
883 RINGINVAR_SET invars; in findSSSR() local
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| H A D | Chirality.cpp | 894 void iterateCIPRanks(const ROMol &mol, const DOUBLE_VECT &invars, in iterateCIPRanks()
1069 DOUBLE_VECT invars(numAtoms, 0); in assignAtomCIPRanks() local
1727 DOUBLE_VECT invars(mol.getNumAtoms()); in rerankAtoms() local
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| /dports/biology/bbmap/bbmap/current/var/ |
| H A D | GenerateConsensusVariations.java | 96 …public static void process(final String invars, final String incov, final String outfile, final in… in process()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Subgraphs/ |
| H A D | SubgraphUtils.cpp | 166 std::vector<uint32_t> invars(nAtoms); in calcPathDiscriminators() local
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| H A D | Subgraphs.cpp | 510 std::vector<boost::dynamic_bitset<> > invars; in findAllPathsOfLengthsMtoN() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/Wrap/ |
| H A D | rdMolDescriptors.cpp | 360 std::vector<boost::uint32_t> *invars = nullptr; in MorganFingerprintHelper() local
500 std::vector<boost::uint32_t> *invars = nullptr; in GetMorganFingerprintBV() local
562 std::vector<std::uint32_t> invars(mol.getNumAtoms()); in GetConnectivityInvariants() local
572 std::vector<std::uint32_t> invars(mol.getNumAtoms()); in GetFeatureInvariants() local
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| /dports/databases/sqlrelay/sqlrelay-1.7.0/src/triggers/ |
| H A D | replay.cpp | 344 sqlrserverbindvar *invars=sqlrcur->getInputBinds(); in logQuery() local
1017 sqlrserverbindvar *invars= in replay() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/PgSQL/rdkit/ |
| H A D | adapter.cpp | 1251 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in makeMorganSFP() local
1266 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in makeMorganBFP() local
1287 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in makeFeatMorganSFP() local
1302 std::vector<std::uint32_t> invars(mol->getNumAtoms()); in makeFeatMorganBFP() local
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| /dports/science/netcdf-fortran/netcdf-fortran-4.5.3/fortran/ |
| H A D | module_netcdf_fortv2_c_interfaces.f90 | 210 Integer(C_INT), Intent(OUT) :: indims, invars, inatts, irecdim, rcode local
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| H A D | nf_v2compat.c | 505 int* invars, /* returned number of variables */ in c_ncinq()
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| /dports/graphics/opendx/dx-4.4.4/src/exec/dpexec/ |
| H A D | graph.c | 2384 int invars[2]; in ExBuildSendModule() local
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| /dports/math/py-jax/jax-0.2.9/jax/ |
| H A D | core.py | 164 def new_jaxpr_eqn(invars, outvars, primitive, params, source_info=None): argument
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