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Folder: GraphMol
| .. (parent) | ||||
| d | rwxr-xr-x | 4,096 | Abbreviations | |
| d | rwxr-xr-x | 30 | Basement | |
| d | rwxr-xr-x | 4,096 | CIPLabeler | |
| d | rwxr-xr-x | 4,096 | ChemReactions | |
| d | rwxr-xr-x | 4,096 | ChemTransforms | |
| d | rwxr-xr-x | 4,096 | Depictor | |
| d | rwxr-xr-x | 124 | Deprotect | |
| d | rwxr-xr-x | 4,096 | Descriptors | |
| d | rwxr-xr-x | 4,096 | DetermineBonds | |
| d | rwxr-xr-x | 4,096 | DistGeomHelpers | |
| d | rwxr-xr-x | 4,096 | FMCS | |
| d | rwxr-xr-x | 4,096 | FileParsers | |
| d | rwxr-xr-x | 4,096 | FilterCatalog | |
| d | rwxr-xr-x | 4,096 | Fingerprints | |
| d | rwxr-xr-x | 125 | ForceFieldHelpers | |
| d | rwxr-xr-x | 4,096 | FragCatalog | |
| d | rwxr-xr-x | 117 | GenericGroups | |
| d | rwxr-xr-x | 114 | MMPA | |
| d | rwxr-xr-x | 4,096 | MolAlign | |
| d | rwxr-xr-x | 4,096 | MolCatalog | |
| d | rwxr-xr-x | 4,096 | MolChemicalFeatures | |
| d | rwxr-xr-x | 4,096 | MolDraw2D | |
| d | rwxr-xr-x | 4,096 | MolEnumerator | |
| d | rwxr-xr-x | 4,096 | MolHash | |
| d | rwxr-xr-x | 4,096 | MolInterchange | |
| d | rwxr-xr-x | 4,096 | MolStandardize | |
| d | rwxr-xr-x | 4,096 | MolTransforms | |
| d | rwxr-xr-x | 4,096 | PartialCharges | |
| d | rwxr-xr-x | 4,096 | RGroupDecomposition | |
| d | rwxr-xr-x | 124 | ReducedGraphs | |
| d | rwxr-xr-x | 4,096 | SLNParse | |
| d | rwxr-xr-x | 153 | ScaffoldNetwork | |
| d | rwxr-xr-x | 4,096 | ShapeHelpers | |
| d | rwxr-xr-x | 4,096 | SmilesParse | |
| d | rwxr-xr-x | 4,096 | StructChecker | |
| d | rwxr-xr-x | 4,096 | Subgraphs | |
| d | rwxr-xr-x | 4,096 | Substruct | |
| d | rwxr-xr-x | 4,096 | SubstructLibrary | |
| d | rwxr-xr-x | 130 | TautomerQuery | |
| d | rwxr-xr-x | 133 | Trajectory | |
| d | rwxr-xr-x | 4,096 | Wrap | |
| d | rwxr-xr-x | 29 | libs | |
| d | rwxr-xr-x | 29 | testExecs | |
| d | rwxr-xr-x | 4,096 | test_data | |
| - | rw-r--r-- | 46,526 | AddHs.cpp | |
| - | rw-r--r-- | 19,469 | AdjustQuery.cpp | |
| - | rw-r--r-- | 30,129 | Aromaticity.cpp | |
| - | rw-r--r-- | 26,907 | Atom.cpp | |
| - | rw-r--r-- | 15,270 | Atom.h | |
| - | rw-r--r-- | 17,786 | AtomIterators.cpp | |
| - | rw-r--r-- | 5,673 | AtomIterators.h | |
| - | rw-r--r-- | 8,061 | Bond.cpp | |
| - | rw-r--r-- | 12,017 | Bond.h | |
| - | rw-r--r-- | 3,505 | BondIterators.cpp | |
| - | rw-r--r-- | 2,354 | BondIterators.h | |
| - | rw-r--r-- | 5,957 | CMakeLists.txt | |
| - | rw-r--r-- | 49,812 | Canon.cpp | |
| - | rw-r--r-- | 4,161 | Canon.h | |
| - | rw-r--r-- | 116,666 | Chirality.cpp | |
| - | rw-r--r-- | 8,314 | Chirality.h | |
| - | rw-r--r-- | 1,874 | Conformer.cpp | |
| - | rw-r--r-- | 5,429 | Conformer.h | |
| - | rw-r--r-- | 7,058 | ConjugHybrid.cpp | |
| - | rw-r--r-- | 46,709 | FindRings.cpp | |
| - | rw-r--r-- | 40,793 | FindStereo.cpp | |
| - | rw-r--r-- | 362 | GraphMol.cpp | |
| - | rw-r--r-- | 479 | GraphMol.h | |
| - | rw-r--r-- | 26,405 | Kekulize.cpp | |
| - | rw-r--r-- | 11,908 | Matrices.cpp | |
| - | rw-r--r-- | 3,560 | MolBundle.h | |
| - | rw-r--r-- | 26,585 | MolOps.cpp | |
| - | rw-r--r-- | 40,829 | MolOps.h | |
| - | rw-r--r-- | 75,221 | MolPickler.cpp | |
| - | rw-r--r-- | 10,719 | MolPickler.h | |
| - | rw-r--r-- | 702 | MonomerInfo.cpp | |
| - | rw-r--r-- | 5,565 | MonomerInfo.h | |
| - | rw-r--r-- | 16,832 | NontetrahedralStereo.cpp | |
| - | rw-r--r-- | 3,404 | PeriodicTable.cpp | |
| - | rw-r--r-- | 11,542 | PeriodicTable.h | |
| - | rw-r--r-- | 6,290 | QueryAtom.cpp | |
| - | rw-r--r-- | 5,051 | QueryAtom.h | |
| - | rw-r--r-- | 6,392 | QueryBond.cpp | |
| - | rw-r--r-- | 4,454 | QueryBond.h | |
| - | rw-r--r-- | 35,687 | QueryOps.cpp | |
| - | rw-r--r-- | 38,787 | QueryOps.h | |
| - | rw-r--r-- | 852 | RDKitBase.h | |
| - | rw-r--r-- | 581 | RDKitQueries.h | |
| - | rw-r--r-- | 21,685 | ROMol.cpp | |
| - | rw-r--r-- | 27,446 | ROMol.h | |
| - | rw-r--r-- | 16,146 | RWMol.cpp | |
| - | rw-r--r-- | 6,684 | RWMol.h | |
| - | rw-r--r-- | 3,807 | Renumber.cpp | |
| - | rw-r--r-- | 65,305 | Resonance.cpp | |
| - | rw-r--r-- | 9,598 | Resonance.h | |
| - | rw-r--r-- | 7,636 | RingInfo.cpp | |
| - | rw-r--r-- | 8,386 | RingInfo.h | |
| - | rw-r--r-- | 3,460 | Rings.h | |
| - | rw-r--r-- | 4,232 | SanitException.h | |
| - | rw-r--r-- | 1,963 | StereoGroup.cpp | |
| - | rw-r--r-- | 2,521 | StereoGroup.h | |
| - | rw-r--r-- | 15,096 | SubstanceGroup.cpp | |
| - | rw-r--r-- | 10,300 | SubstanceGroup.h | |
| - | rwxr-xr-x | 703 | UnitTestQueryMol.py | |
| - | rw-r--r-- | 96,438 | atomic_data.cpp | |
| - | rw-r--r-- | 2,357 | atomic_data.h | |
| - | rw-r--r-- | 1,924 | bulktest.cpp | |
| - | rw-r--r-- | 29,535 | catch_adjustquery.cpp | |
| - | rw-r--r-- | 7,846 | catch_canon.cpp | |
| - | rw-r--r-- | 119,352 | catch_chirality.cpp | |
| - | rw-r--r-- | 92,145 | catch_graphmol.cpp | |
| - | rw-r--r-- | 1,521 | catch_moliterators.cpp | |
| - | rw-r--r-- | 15,206 | catch_sgroups.cpp | |
| - | rw-r--r-- | 3,981 | cptest.cpp | |
| - | rw-r--r-- | 373 | details.h | |
| - | rw-r--r-- | 59,782 | hanoitest.cpp | |
| - | rw-r--r-- | 10,992 | itertest.cpp | |
| - | rw-r--r-- | 5,659 | memtest1.cpp | |
| - | rw-r--r-- | 285,546 | molopstest.cpp | |
| - | rw-r--r-- | 28,248 | new_canon.cpp | |
| - | rw-r--r-- | 25,855 | new_canon.h | |
| - | rw-r--r-- | 28,378 | querytest.cpp | |
| - | rw-r--r-- | 52 | regress.txt | |
| - | rw-r--r-- | 35,077 | resMolSupplierTest.cpp | |
| - | rw-r--r-- | 2,420 | sanitTest.cpp | |
| - | rw-r--r-- | 2,058 | test-valgrind.cpp | |
| - | rw-r--r-- | 50,896 | test1.cpp | |
| - | rw-r--r-- | 112,711 | testChirality.cpp | |
| - | rw-r--r-- | 6,116 | testMolBundle.cpp | |
| - | rw-r--r-- | 58,622 | testPickler.cpp | |
| - | rw-r--r-- | 8,840 | testPicklerGlobalSettings.cpp | |
| - | rw-r--r-- | 40,103 | testSGroup.cpp |
