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Folder: GraphMol
|  | .. (parent) | |||
|  | d | rwxr-xr-x | 30 | Basement | 
|  | 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 | 4,096 | Descriptors | 
|  | 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 | 99 | ForceFieldHelpers | 
|  | d | rwxr-xr-x | 4,096 | FragCatalog | 
|  | 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 | 145 | 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 | 133 | RGroupDecomposition | 
|  | d | rwxr-xr-x | 124 | ReducedGraphs | 
|  | d | rwxr-xr-x | 4,096 | SLNParse | 
|  | 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 | 145 | SubstructLibrary | 
|  | 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-- | 37,959 | AddHs.cpp | 
|  | - | rw-r--r-- | 7,656 | AdjustQuery.cpp | 
|  | - | rw-r--r-- | 28,882 | Aromaticity.cpp | 
|  | - | rw-r--r-- | 20,387 | Atom.cpp | 
|  | - | rw-r--r-- | 14,055 | Atom.h | 
|  | - | rw-r--r-- | 17,591 | AtomIterators.cpp | 
|  | - | rw-r--r-- | 5,607 | AtomIterators.h | 
|  | - | rw-r--r-- | 7,578 | Bond.cpp | 
|  | - | rw-r--r-- | 10,405 | Bond.h | 
|  | - | rw-r--r-- | 3,447 | BondIterators.cpp | 
|  | - | rw-r--r-- | 2,342 | BondIterators.h | 
|  | - | rw-r--r-- | 4,830 | CMakeLists.txt | 
|  | - | rw-r--r-- | 46,041 | Canon.cpp | 
|  | - | rw-r--r-- | 3,889 | Canon.h | 
|  | - | rw-r--r-- | 74,529 | Chirality.cpp | 
|  | - | rw-r--r-- | 911 | Chirality.h | 
|  | - | rw-r--r-- | 1,586 | Conformer.cpp | 
|  | - | rw-r--r-- | 4,491 | Conformer.h | 
|  | - | rw-r--r-- | 5,838 | ConjugHybrid.cpp | 
|  | - | rw-r--r-- | 46,939 | FindRings.cpp | 
|  | - | rw-r--r-- | 363 | GraphMol.cpp | 
|  | - | rw-r--r-- | 479 | GraphMol.h | 
|  | - | rw-r--r-- | 22,786 | Kekulize.cpp | 
|  | - | rw-r--r-- | 11,725 | Matrices.cpp | 
|  | - | rw-r--r-- | 2,661 | MolBundle.h | 
|  | - | rw-r--r-- | 3,391 | MolDiscriminators.cpp | 
|  | - | rw-r--r-- | 25,518 | MolOps.cpp | 
|  | - | rw-r--r-- | 36,445 | MolOps.h | 
|  | - | rw-r--r-- | 63,963 | MolPickler.cpp | 
|  | - | rw-r--r-- | 8,432 | MolPickler.h | 
|  | - | rw-r--r-- | 5,512 | MonomerInfo.h | 
|  | - | rw-r--r-- | 2,744 | PeriodicTable.cpp | 
|  | - | rw-r--r-- | 11,269 | PeriodicTable.h | 
|  | - | rw-r--r-- | 5,002 | QueryAtom.cpp | 
|  | - | rw-r--r-- | 3,325 | QueryAtom.h | 
|  | - | rw-r--r-- | 5,804 | QueryBond.cpp | 
|  | - | rw-r--r-- | 3,553 | QueryBond.h | 
|  | - | rw-r--r-- | 21,080 | QueryOps.cpp | 
|  | - | rw-r--r-- | 32,544 | QueryOps.h | 
|  | - | rw-r--r-- | 852 | RDKitBase.h | 
|  | - | rw-r--r-- | 581 | RDKitQueries.h | 
|  | - | rw-r--r-- | 18,131 | ROMol.cpp | 
|  | - | rw-r--r-- | 22,791 | ROMol.h | 
|  | - | rw-r--r-- | 13,790 | RWMol.cpp | 
|  | - | rw-r--r-- | 6,770 | RWMol.h | 
|  | - | rw-r--r-- | 3,343 | Renumber.cpp | 
|  | - | rw-r--r-- | 59,382 | Resonance.cpp | 
|  | - | rw-r--r-- | 6,605 | Resonance.h | 
|  | - | rw-r--r-- | 3,717 | RingInfo.cpp | 
|  | - | rw-r--r-- | 3,875 | RingInfo.h | 
|  | - | rw-r--r-- | 3,459 | Rings.h | 
|  | - | rw-r--r-- | 946 | SanitException.h | 
|  | - | rw-r--r-- | 1,261 | StereoGroup.cpp | 
|  | - | rw-r--r-- | 1,993 | StereoGroup.h | 
|  | - | rwxr-xr-x | 740 | UnitTestQueryMol.py | 
|  | - | rw-r--r-- | 93,532 | atomic_data.cpp | 
|  | - | rw-r--r-- | 2,172 | atomic_data.h | 
|  | - | rw-r--r-- | 23,995 | blah | 
|  | - | rw-r--r-- | 14,013 | blah.hpp | 
|  | - | rw-r--r-- | 1,925 | bulktest.cpp | 
|  | - | rw-r--r-- | 3,600 | catch_tests.cpp | 
|  | - | rw-r--r-- | 3,273 | cptest.cpp | 
|  | - | rw-r--r-- | 385 | details.h | 
|  | - | rw-r--r-- | 57,051 | hanoitest.cpp | 
|  | - | rw-r--r-- | 10,869 | itertest.cpp | 
|  | - | rw-r--r-- | 5,594 | memtest1.cpp | 
|  | - | rw-r--r-- | 250,233 | molopstest.cpp | 
|  | - | rw-r--r-- | 22,488 | new_canon.cpp | 
|  | - | rw-r--r-- | 23,218 | new_canon.h | 
|  | - | rw-r--r-- | 26,811 | querytest.cpp | 
|  | - | rwxr-xr-x | 52 | regress.txt | 
|  | - | rw-r--r-- | 27,748 | resMolSupplierTest.cpp | 
|  | - | rw-r--r-- | 2,419 | sanitTest.cpp | 
|  | - | rw-r--r-- | 2,038 | test-valgrind.cpp | 
|  | - | rw-r--r-- | 46,908 | test1.cpp | 
|  | - | rw-r--r-- | 5,754 | testCanon.cpp | 
|  | - | rw-r--r-- | 98,302 | testChirality.cpp | 
|  | - | rw-r--r-- | 5,210 | testMolBundle.cpp | 
|  | - | rw-r--r-- | 42,450 | testPickler.cpp | 
|  | - | rw-r--r-- | 8,882 | testPicklerGlobalSettings.cpp | 
|  | - | rwxr-xr-x | 1,960 | test_list.py | 
