/dports/science/rdkit/rdkit-Release_2021_03_5/rdkit/Chem/ |
H A D | Crippen.py | 73 def _pyGetAtomContribs(mol, patts=None, order=None, verbose=0, force=0): argument 124 def _pyMolLogP(inMol, patts=None, order=None, verbose=0, addHs=1): argument 147 def _pyMolMR(inMol, patts=None, order=None, verbose=0, addHs=1): argument
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/dports/science/rdkit/rdkit-Release_2021_03_5/Regress/Scripts/ |
H A D | new_timings.py | 81 patts = [] variable 96 patts = patts[:100] variable 120 patts = [] variable
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H A D | timings.py | 63 patts = [] variable 78 patts = patts[:100] variable 102 patts = [] variable
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/dports/science/rdkit/rdkit-Release_2021_03_5/Contrib/LEF/ |
H A D | AddLabels.py | 55 patts = [Chem.MolFromSmarts(x[1]) for x in fglines] variable
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/dports/science/yoda/YODA-1.9.1/pyext/yoda/ |
H A D | search.py | 7 def match_aos(aos, patts, unpatts=None, search=False): argument
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Fingerprints/ |
H A D | PatternFingerprints.cpp | 196 std::vector<const ROMol *> patts; in updatePatternFingerprint() local
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/dports/editors/fxite/fxite-FXITE-0_92/src/ |
H A D | filer.cpp | 101 const char* title, const char*patts, const char*ext, ExportFunc func, const char*filename) in Export()
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/dports/lang/polyml/polyml-5.8.2/mlsource/MLCompiler/ParseTree/ |
H A D | MATCH_COMPILER.sml | 921 val patts = pattCode(tree, from 1 noOfPats, firePatt, 0) value
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/dports/comms/zssh/zssh-1.5c/lrzsz-0.12.20/src/ |
H A D | lrz.c | 261 char **patts=NULL; /* keep compiler quiet */ in main() local
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H A D | lsz.c | 321 char **patts; in main() local
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/dports/comms/lrzsz/lrzsz-0.12.20/src/ |
H A D | lrz.c | 261 char **patts=NULL; /* keep compiler quiet */ in main() local
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H A D | lsz.c | 321 char **patts; in main() local
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/dports/math/py-mathics/Mathics3-2.2.0/mathics/builtin/ |
H A D | strings.py | 3070 def _search(patts, str, flags, matched): argument
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/dports/audio/uade/uade-2.13/amigasrc/players/ps3m/ |
H A D | EP_PS3M.s | 3508 patts dc.l 0 define
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